USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.104 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc=-0.00254 (180deg=-0.16) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc=-0.00303 (180deg=-0.141) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0137 (180deg=-0.218) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 44:sc= -11.8! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc=-0.00941 (180deg=-0.169) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc=-0.00876 (180deg=-0.166) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 57 MET CE :methyl 165:sc=-0.00301 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.983 1.573 9.350 1.00 0.00 N ATOM 2 CA ALA A 1 0.712 2.260 8.079 1.00 0.00 C ATOM 3 C ALA A 1 -0.186 1.386 7.219 1.00 0.00 C ATOM 4 O ALA A 1 0.253 0.387 6.650 1.00 0.00 O ATOM 5 CB ALA A 1 2.031 2.527 7.361 1.00 0.00 C ATOM 0 H1 ALA A 1 1.597 2.168 9.942 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.087 1.398 9.848 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.457 0.667 9.161 1.00 0.00 H new ATOM 0 HA ALA A 1 0.210 3.209 8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.835 3.036 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.666 3.154 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.536 1.581 7.165 1.00 0.00 H new ATOM 13 N THR A 2 -1.452 1.772 7.137 1.00 0.00 N ATOM 14 CA THR A 2 -2.409 1.018 6.322 1.00 0.00 C ATOM 15 C THR A 2 -3.133 1.998 5.411 1.00 0.00 C ATOM 16 O THR A 2 -3.094 3.209 5.623 1.00 0.00 O ATOM 17 CB THR A 2 -3.426 0.323 7.226 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.032 1.285 8.076 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.762 -0.755 8.081 1.00 0.00 C ATOM 0 H THR A 2 -1.840 2.586 7.613 1.00 0.00 H new ATOM 0 HA THR A 2 -1.886 0.264 5.734 1.00 0.00 H new ATOM 0 HB THR A 2 -4.176 -0.153 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.686 0.843 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.512 -1.231 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.306 -1.503 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.994 -0.301 8.708 1.00 0.00 H new ATOM 27 N VAL A 3 -3.787 1.455 4.395 1.00 0.00 N ATOM 28 CA VAL A 3 -4.527 2.297 3.449 1.00 0.00 C ATOM 29 C VAL A 3 -5.959 1.789 3.412 1.00 0.00 C ATOM 30 O VAL A 3 -6.224 0.614 3.162 1.00 0.00 O ATOM 31 CB VAL A 3 -3.885 2.209 2.060 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.655 3.062 1.052 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.443 2.717 2.097 1.00 0.00 C ATOM 0 H VAL A 3 -3.825 0.454 4.201 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.507 3.342 3.758 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.907 1.161 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.182 2.985 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.684 2.708 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.649 4.103 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.006 2.646 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.432 3.757 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.862 2.111 2.792 1.00 0.00 H new ATOM 43 N LYS A 4 -6.903 2.677 3.664 1.00 0.00 N ATOM 44 CA LYS A 4 -8.298 2.246 3.635 1.00 0.00 C ATOM 45 C LYS A 4 -8.750 2.140 2.188 1.00 0.00 C ATOM 46 O LYS A 4 -8.309 2.886 1.315 1.00 0.00 O ATOM 47 CB LYS A 4 -9.170 3.256 4.380 1.00 0.00 C ATOM 48 CG LYS A 4 -8.816 3.296 5.868 1.00 0.00 C ATOM 49 CD LYS A 4 -9.788 4.169 6.662 1.00 0.00 C ATOM 50 CE LYS A 4 -9.637 5.652 6.330 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.517 6.443 7.204 1.00 0.00 N ATOM 0 H LYS A 4 -6.747 3.661 3.883 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.394 1.276 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.038 4.246 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.221 2.993 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.826 2.283 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.802 3.678 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.810 3.854 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.620 4.019 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.600 5.962 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.890 5.829 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.414 7.453 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.505 6.154 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.255 6.282 8.198 1.00 0.00 H new ATOM 65 N PHE A 5 -9.644 1.206 1.920 1.00 0.00 N ATOM 66 CA PHE A 5 -10.114 1.059 0.546 1.00 0.00 C ATOM 67 C PHE A 5 -11.429 0.295 0.548 1.00 0.00 C ATOM 68 O PHE A 5 -11.490 -0.892 0.233 1.00 0.00 O ATOM 69 CB PHE A 5 -9.062 0.310 -0.267 1.00 0.00 C ATOM 70 CG PHE A 5 -9.502 0.170 -1.706 1.00 0.00 C ATOM 71 CD1 PHE A 5 -9.615 1.256 -2.482 1.00 0.00 C ATOM 72 CD2 PHE A 5 -9.778 -1.043 -2.206 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.003 1.130 -3.757 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.168 -1.168 -3.482 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.280 -0.082 -4.258 1.00 0.00 C ATOM 0 H PHE A 5 -10.048 0.561 2.599 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.275 2.039 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.112 0.843 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.895 -0.676 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.393 2.233 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.686 -1.919 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.093 2.006 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.392 -2.145 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.593 -0.183 -5.287 1.00 0.00 H new ATOM 85 N LYS A 6 -12.501 0.975 0.910 1.00 0.00 N ATOM 86 CA LYS A 6 -13.792 0.294 0.928 1.00 0.00 C ATOM 87 C LYS A 6 -14.315 0.176 -0.495 1.00 0.00 C ATOM 88 O LYS A 6 -14.396 1.154 -1.238 1.00 0.00 O ATOM 89 CB LYS A 6 -14.783 1.076 1.788 1.00 0.00 C ATOM 90 CG LYS A 6 -15.076 2.448 1.179 1.00 0.00 C ATOM 91 CD LYS A 6 -16.200 3.173 1.921 1.00 0.00 C ATOM 92 CE LYS A 6 -15.776 3.608 3.324 1.00 0.00 C ATOM 93 NZ LYS A 6 -16.857 4.392 3.940 1.00 0.00 N ATOM 0 H LYS A 6 -12.513 1.957 1.186 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.672 -0.702 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.711 0.512 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.379 1.199 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.172 3.057 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.351 2.329 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.507 4.048 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.068 2.518 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.552 2.734 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.864 4.203 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.570 4.689 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.050 5.233 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.716 3.809 4.002 1.00 0.00 H new ATOM 107 N TYR A 7 -14.680 -1.029 -0.889 1.00 0.00 N ATOM 108 CA TYR A 7 -15.188 -1.198 -2.248 1.00 0.00 C ATOM 109 C TYR A 7 -16.623 -0.698 -2.300 1.00 0.00 C ATOM 110 O TYR A 7 -16.960 0.194 -3.078 1.00 0.00 O ATOM 111 CB TYR A 7 -15.102 -2.675 -2.630 1.00 0.00 C ATOM 112 CG TYR A 7 -15.566 -2.902 -4.050 1.00 0.00 C ATOM 113 CD1 TYR A 7 -14.938 -2.301 -5.071 1.00 0.00 C ATOM 114 CD2 TYR A 7 -16.598 -3.722 -4.290 1.00 0.00 C ATOM 115 CE1 TYR A 7 -15.347 -2.514 -6.328 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.007 -3.935 -5.548 1.00 0.00 C ATOM 117 CZ TYR A 7 -16.383 -3.329 -6.568 1.00 0.00 C ATOM 118 OH TYR A 7 -16.801 -3.547 -7.854 1.00 0.00 O ATOM 0 H TYR A 7 -14.640 -1.875 -0.321 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.594 -0.624 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.074 -3.022 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.712 -3.266 -1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.102 -1.645 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.101 -4.212 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.841 -2.028 -7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -17.840 -4.595 -5.740 1.00 0.00 H new ATOM 0 HH TYR A 7 -17.562 -4.164 -7.850 1.00 0.00 H new ATOM 128 N LYS A 8 -17.467 -1.274 -1.457 1.00 0.00 N ATOM 129 CA LYS A 8 -18.851 -0.801 -1.353 1.00 0.00 C ATOM 130 C LYS A 8 -19.216 -0.739 0.122 1.00 0.00 C ATOM 131 O LYS A 8 -18.889 0.218 0.822 1.00 0.00 O ATOM 132 CB LYS A 8 -19.805 -1.762 -2.061 1.00 0.00 C ATOM 133 CG LYS A 8 -19.675 -1.669 -3.579 1.00 0.00 C ATOM 134 CD LYS A 8 -20.027 -0.260 -4.052 1.00 0.00 C ATOM 135 CE LYS A 8 -19.982 -0.154 -5.576 1.00 0.00 C ATOM 136 NZ LYS A 8 -18.613 -0.366 -6.066 1.00 0.00 N ATOM 0 H LYS A 8 -17.231 -2.054 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.937 0.179 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.598 -2.783 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.831 -1.538 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.658 -1.918 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.335 -2.395 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.023 0.006 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.331 0.456 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.651 -0.892 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.339 0.827 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.557 -0.093 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.952 0.215 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.360 -1.370 -5.966 1.00 0.00 H new ATOM 150 N GLY A 9 -19.896 -1.776 0.588 1.00 0.00 N ATOM 151 CA GLY A 9 -20.329 -1.801 1.987 1.00 0.00 C ATOM 152 C GLY A 9 -19.436 -2.717 2.814 1.00 0.00 C ATOM 153 O GLY A 9 -19.824 -3.171 3.890 1.00 0.00 O ATOM 0 H GLY A 9 -20.157 -2.595 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.303 -0.792 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.362 -2.143 2.046 1.00 0.00 H new ATOM 157 N GLU A 10 -18.244 -2.989 2.303 1.00 0.00 N ATOM 158 CA GLU A 10 -17.304 -3.851 3.025 1.00 0.00 C ATOM 159 C GLU A 10 -15.958 -3.146 3.080 1.00 0.00 C ATOM 160 O GLU A 10 -15.271 -2.979 2.074 1.00 0.00 O ATOM 161 CB GLU A 10 -17.150 -5.182 2.290 1.00 0.00 C ATOM 162 CG GLU A 10 -18.444 -5.992 2.317 1.00 0.00 C ATOM 163 CD GLU A 10 -18.247 -7.333 1.629 1.00 0.00 C ATOM 164 OE1 GLU A 10 -17.173 -7.548 1.026 1.00 0.00 O ATOM 165 OE2 GLU A 10 -19.164 -8.179 1.685 1.00 0.00 O ATOM 0 H GLU A 10 -17.904 -2.636 1.409 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.674 -4.045 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.858 -4.996 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.348 -5.761 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.760 -6.149 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.239 -5.435 1.821 1.00 0.00 H new ATOM 172 N GLU A 11 -15.568 -2.723 4.268 1.00 0.00 N ATOM 173 CA GLU A 11 -14.285 -2.036 4.382 1.00 0.00 C ATOM 174 C GLU A 11 -13.157 -3.033 4.172 1.00 0.00 C ATOM 175 O GLU A 11 -13.205 -4.163 4.655 1.00 0.00 O ATOM 176 CB GLU A 11 -14.172 -1.345 5.744 1.00 0.00 C ATOM 177 CG GLU A 11 -14.252 -2.313 6.927 1.00 0.00 C ATOM 178 CD GLU A 11 -14.138 -1.546 8.234 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.189 -0.748 8.383 1.00 0.00 O ATOM 180 OE2 GLU A 11 -14.998 -1.739 9.121 1.00 0.00 O ATOM 0 H GLU A 11 -16.091 -2.833 5.137 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.213 -1.266 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.227 -0.804 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.968 -0.606 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.195 -2.859 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.453 -3.051 6.858 1.00 0.00 H new ATOM 187 N LEU A 12 -12.141 -2.604 3.437 1.00 0.00 N ATOM 188 CA LEU A 12 -10.984 -3.471 3.197 1.00 0.00 C ATOM 189 C LEU A 12 -9.731 -2.634 3.398 1.00 0.00 C ATOM 190 O LEU A 12 -9.742 -1.417 3.219 1.00 0.00 O ATOM 191 CB LEU A 12 -10.997 -3.998 1.757 1.00 0.00 C ATOM 192 CG LEU A 12 -12.198 -4.886 1.420 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.168 -5.207 -0.071 1.00 0.00 C ATOM 194 CD2 LEU A 12 -12.165 -6.196 2.204 1.00 0.00 C ATOM 0 H LEU A 12 -12.088 -1.683 3.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.012 -4.320 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.984 -3.150 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.082 -4.563 1.581 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.107 -4.348 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.019 -5.839 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.221 -4.281 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.243 -5.730 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.033 -6.800 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.254 -6.743 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.185 -5.981 3.272 1.00 0.00 H new ATOM 206 N GLN A 13 -8.652 -3.303 3.778 1.00 0.00 N ATOM 207 CA GLN A 13 -7.380 -2.605 3.989 1.00 0.00 C ATOM 208 C GLN A 13 -6.294 -3.365 3.245 1.00 0.00 C ATOM 209 O GLN A 13 -6.317 -4.593 3.170 1.00 0.00 O ATOM 210 CB GLN A 13 -7.042 -2.573 5.479 1.00 0.00 C ATOM 211 CG GLN A 13 -8.031 -1.716 6.265 1.00 0.00 C ATOM 212 CD GLN A 13 -7.641 -1.661 7.732 1.00 0.00 C ATOM 213 OE1 GLN A 13 -6.496 -1.911 8.108 1.00 0.00 O ATOM 214 NE2 GLN A 13 -8.595 -1.333 8.583 1.00 0.00 N ATOM 0 H GLN A 13 -8.624 -4.309 3.945 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.453 -1.581 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.046 -3.589 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.034 -2.182 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.056 -0.708 5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.036 -2.126 6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.535 -1.131 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.392 -1.281 9.581 1.00 0.00 H new ATOM 223 N VAL A 14 -5.346 -2.618 2.697 1.00 0.00 N ATOM 224 CA VAL A 14 -4.233 -3.238 1.971 1.00 0.00 C ATOM 225 C VAL A 14 -2.927 -2.717 2.552 1.00 0.00 C ATOM 226 O VAL A 14 -2.761 -1.526 2.809 1.00 0.00 O ATOM 227 CB VAL A 14 -4.320 -2.934 0.470 1.00 0.00 C ATOM 228 CG1 VAL A 14 -5.563 -3.590 -0.127 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.355 -1.433 0.173 1.00 0.00 C ATOM 0 H VAL A 14 -5.319 -1.599 2.736 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.281 -4.321 2.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.418 -3.342 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.615 -3.368 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.509 -4.669 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.453 -3.202 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.417 -1.277 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.225 -0.987 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.448 -0.965 0.556 1.00 0.00 H new ATOM 239 N ASP A 15 -1.991 -3.624 2.771 1.00 0.00 N ATOM 240 CA ASP A 15 -0.714 -3.209 3.348 1.00 0.00 C ATOM 241 C ASP A 15 0.195 -2.725 2.226 1.00 0.00 C ATOM 242 O ASP A 15 0.140 -3.216 1.098 1.00 0.00 O ATOM 243 CB ASP A 15 -0.110 -4.408 4.075 1.00 0.00 C ATOM 244 CG ASP A 15 1.123 -4.015 4.873 1.00 0.00 C ATOM 245 OD1 ASP A 15 0.971 -3.430 5.967 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.251 -4.289 4.411 1.00 0.00 O ATOM 0 H ASP A 15 -2.079 -4.620 2.568 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.843 -2.393 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.854 -4.842 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.155 -5.178 3.350 1.00 0.00 H new ATOM 251 N ILE A 16 1.028 -1.741 2.512 1.00 0.00 N ATOM 252 CA ILE A 16 1.854 -1.180 1.445 1.00 0.00 C ATOM 253 C ILE A 16 3.031 -2.109 1.174 1.00 0.00 C ATOM 254 O ILE A 16 3.549 -2.175 0.060 1.00 0.00 O ATOM 255 CB ILE A 16 2.343 0.223 1.829 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.163 1.153 2.116 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.161 0.838 0.690 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.041 1.456 3.609 1.00 0.00 C ATOM 0 H ILE A 16 1.153 -1.323 3.434 1.00 0.00 H new ATOM 0 HA ILE A 16 1.259 -1.090 0.536 1.00 0.00 H new ATOM 0 HB ILE A 16 2.959 0.117 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.289 2.084 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.241 0.694 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.499 1.833 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.025 0.208 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.542 0.912 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.193 2.119 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.889 0.526 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.954 1.939 3.958 1.00 0.00 H new ATOM 270 N SER A 17 3.479 -2.827 2.190 1.00 0.00 N ATOM 271 CA SER A 17 4.670 -3.656 2.000 1.00 0.00 C ATOM 272 C SER A 17 4.310 -4.981 1.341 1.00 0.00 C ATOM 273 O SER A 17 5.156 -5.643 0.742 1.00 0.00 O ATOM 274 CB SER A 17 5.326 -3.912 3.354 1.00 0.00 C ATOM 275 OG SER A 17 5.655 -2.674 3.968 1.00 0.00 O ATOM 0 H SER A 17 3.061 -2.859 3.120 1.00 0.00 H new ATOM 0 HA SER A 17 5.364 -3.128 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.651 -4.479 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.225 -4.515 3.225 1.00 0.00 H new ATOM 0 HG SER A 17 6.074 -2.841 4.838 1.00 0.00 H new ATOM 281 N LYS A 18 3.052 -5.381 1.442 1.00 0.00 N ATOM 282 CA LYS A 18 2.659 -6.662 0.852 1.00 0.00 C ATOM 283 C LYS A 18 2.315 -6.496 -0.622 1.00 0.00 C ATOM 284 O LYS A 18 2.234 -7.471 -1.368 1.00 0.00 O ATOM 285 CB LYS A 18 1.447 -7.211 1.598 1.00 0.00 C ATOM 286 CG LYS A 18 1.797 -7.505 3.053 1.00 0.00 C ATOM 287 CD LYS A 18 0.585 -8.089 3.778 1.00 0.00 C ATOM 288 CE LYS A 18 0.877 -8.316 5.260 1.00 0.00 C ATOM 289 NZ LYS A 18 1.923 -9.335 5.429 1.00 0.00 N ATOM 0 H LYS A 18 2.306 -4.864 1.907 1.00 0.00 H new ATOM 0 HA LYS A 18 3.495 -7.356 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.630 -6.491 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.096 -8.121 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.631 -8.206 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.121 -6.590 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.264 -7.414 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.301 -9.033 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.194 -7.381 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.032 -8.632 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.979 -9.612 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.692 -10.168 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.839 -8.946 5.126 1.00 0.00 H new ATOM 303 N ILE A 19 2.101 -5.267 -1.058 1.00 0.00 N ATOM 304 CA ILE A 19 1.784 -5.058 -2.471 1.00 0.00 C ATOM 305 C ILE A 19 3.097 -5.142 -3.237 1.00 0.00 C ATOM 306 O ILE A 19 3.843 -4.169 -3.341 1.00 0.00 O ATOM 307 CB ILE A 19 1.086 -3.702 -2.672 1.00 0.00 C ATOM 308 CG1 ILE A 19 -0.321 -3.727 -2.052 1.00 0.00 C ATOM 309 CG2 ILE A 19 0.975 -3.377 -4.168 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.887 -2.323 -1.834 1.00 0.00 C ATOM 0 H ILE A 19 2.137 -4.424 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 19 1.091 -5.815 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 19 1.683 -2.935 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.992 -4.289 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.286 -4.254 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.479 -2.415 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.972 -3.332 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.395 -4.153 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.882 -2.396 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.233 -1.767 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.950 -1.804 -2.790 1.00 0.00 H new ATOM 322 N LYS A 20 3.386 -6.311 -3.781 1.00 0.00 N ATOM 323 CA LYS A 20 4.639 -6.469 -4.514 1.00 0.00 C ATOM 324 C LYS A 20 4.446 -6.009 -5.950 1.00 0.00 C ATOM 325 O LYS A 20 5.173 -5.160 -6.463 1.00 0.00 O ATOM 326 CB LYS A 20 5.045 -7.940 -4.491 1.00 0.00 C ATOM 327 CG LYS A 20 5.231 -8.411 -3.049 1.00 0.00 C ATOM 328 CD LYS A 20 5.510 -9.915 -2.959 1.00 0.00 C ATOM 329 CE LYS A 20 6.848 -10.331 -3.575 1.00 0.00 C ATOM 330 NZ LYS A 20 7.965 -9.669 -2.887 1.00 0.00 N ATOM 0 H LYS A 20 2.796 -7.142 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 20 5.421 -5.868 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.282 -8.543 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.971 -8.079 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.056 -7.863 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.336 -8.175 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.493 -10.217 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.706 -10.455 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.964 -11.413 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.862 -10.073 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.860 -10.121 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.989 -8.664 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.838 -9.753 -1.858 1.00 0.00 H new ATOM 344 N LYS A 21 3.459 -6.577 -6.618 1.00 0.00 N ATOM 345 CA LYS A 21 3.241 -6.197 -8.011 1.00 0.00 C ATOM 346 C LYS A 21 2.683 -4.784 -8.051 1.00 0.00 C ATOM 347 O LYS A 21 1.676 -4.465 -7.422 1.00 0.00 O ATOM 348 CB LYS A 21 2.247 -7.155 -8.673 1.00 0.00 C ATOM 349 CG LYS A 21 2.702 -8.618 -8.684 1.00 0.00 C ATOM 350 CD LYS A 21 3.938 -8.838 -9.555 1.00 0.00 C ATOM 351 CE LYS A 21 4.269 -10.327 -9.634 1.00 0.00 C ATOM 352 NZ LYS A 21 5.456 -10.528 -10.477 1.00 0.00 N ATOM 0 H LYS A 21 2.817 -7.275 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 21 4.187 -6.245 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.291 -7.087 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.075 -6.831 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.919 -8.936 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.888 -9.246 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.762 -8.444 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.785 -8.291 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.450 -10.722 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.422 -10.876 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.678 -11.543 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.268 -10.166 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.264 -10.017 -10.067 1.00 0.00 H new ATOM 366 N VAL A 22 3.341 -3.918 -8.800 1.00 0.00 N ATOM 367 CA VAL A 22 2.850 -2.545 -8.884 1.00 0.00 C ATOM 368 C VAL A 22 3.432 -1.895 -10.133 1.00 0.00 C ATOM 369 O VAL A 22 4.624 -1.994 -10.419 1.00 0.00 O ATOM 370 CB VAL A 22 3.203 -1.794 -7.594 1.00 0.00 C ATOM 371 CG1 VAL A 22 4.712 -1.688 -7.371 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.602 -0.390 -7.614 1.00 0.00 C ATOM 0 H VAL A 22 4.182 -4.122 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 22 1.764 -2.518 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 22 2.782 -2.373 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.906 -1.148 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.141 -2.688 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.166 -1.153 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.861 0.130 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.998 0.163 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.518 -0.460 -7.698 1.00 0.00 H new ATOM 382 N TRP A 23 2.578 -1.244 -10.904 1.00 0.00 N ATOM 383 CA TRP A 23 3.066 -0.595 -12.119 1.00 0.00 C ATOM 384 C TRP A 23 2.151 0.575 -12.452 1.00 0.00 C ATOM 385 O TRP A 23 0.927 0.457 -12.467 1.00 0.00 O ATOM 386 CB TRP A 23 3.116 -1.608 -13.264 1.00 0.00 C ATOM 387 CG TRP A 23 1.752 -2.180 -13.582 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.838 -1.694 -14.518 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.182 -3.312 -13.054 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.299 -2.508 -14.562 1.00 0.00 N ATOM 391 CE2 TRP A 23 -0.027 -3.500 -13.631 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.665 -4.153 -12.147 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.787 -4.540 -13.303 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.898 -5.204 -11.806 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.313 -5.395 -12.377 1.00 0.00 C ATOM 0 H TRP A 23 1.578 -1.149 -10.725 1.00 0.00 H new ATOM 0 HA TRP A 23 4.077 -0.217 -11.967 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.523 -1.128 -14.154 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.795 -2.419 -13.000 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.988 -0.813 -15.124 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.131 -2.398 -15.142 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.636 -3.999 -11.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.752 -4.694 -13.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.254 -5.905 -11.066 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.909 -6.247 -12.086 1.00 0.00 H new ATOM 406 N ARG A 24 2.748 1.726 -12.704 1.00 0.00 N ATOM 407 CA ARG A 24 1.927 2.907 -12.959 1.00 0.00 C ATOM 408 C ARG A 24 1.462 2.912 -14.406 1.00 0.00 C ATOM 409 O ARG A 24 2.252 2.797 -15.342 1.00 0.00 O ATOM 410 CB ARG A 24 2.756 4.157 -12.674 1.00 0.00 C ATOM 411 CG ARG A 24 3.232 4.152 -11.222 1.00 0.00 C ATOM 412 CD ARG A 24 4.136 5.348 -10.925 1.00 0.00 C ATOM 413 NE ARG A 24 3.381 6.595 -11.051 1.00 0.00 N ATOM 414 CZ ARG A 24 3.988 7.749 -10.830 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.266 7.783 -10.499 1.00 0.00 N ATOM 416 NH2 ARG A 24 3.310 8.876 -10.942 1.00 0.00 N ATOM 0 H ARG A 24 3.757 1.873 -12.738 1.00 0.00 H new ATOM 0 HA ARG A 24 1.051 2.892 -12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.614 4.195 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.160 5.049 -12.867 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.370 4.172 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.772 3.227 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.546 5.262 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.981 5.355 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 24 2.394 6.574 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.794 6.914 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.726 8.678 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.323 8.854 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.773 9.769 -10.773 1.00 0.00 H new ATOM 430 N VAL A 25 0.164 3.063 -14.599 1.00 0.00 N ATOM 431 CA VAL A 25 -0.343 3.130 -15.967 1.00 0.00 C ATOM 432 C VAL A 25 -1.722 3.778 -15.940 1.00 0.00 C ATOM 433 O VAL A 25 -2.590 3.432 -15.141 1.00 0.00 O ATOM 434 CB VAL A 25 -0.352 1.729 -16.592 1.00 0.00 C ATOM 435 CG1 VAL A 25 -1.272 0.761 -15.847 1.00 0.00 C ATOM 436 CG2 VAL A 25 -0.782 1.804 -18.055 1.00 0.00 C ATOM 0 H VAL A 25 -0.538 3.139 -13.863 1.00 0.00 H new ATOM 0 HA VAL A 25 0.304 3.743 -16.595 1.00 0.00 H new ATOM 0 HB VAL A 25 0.666 1.347 -16.518 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.241 -0.215 -16.331 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.939 0.665 -14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.293 1.143 -15.865 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.784 0.803 -18.486 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.784 2.228 -18.118 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.085 2.435 -18.607 1.00 0.00 H new ATOM 446 N GLY A 26 -1.930 4.753 -16.807 1.00 0.00 N ATOM 447 CA GLY A 26 -3.228 5.420 -16.812 1.00 0.00 C ATOM 448 C GLY A 26 -3.381 6.270 -15.560 1.00 0.00 C ATOM 449 O GLY A 26 -2.416 6.566 -14.858 1.00 0.00 O ATOM 0 H GLY A 26 -1.253 5.092 -17.490 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.321 6.046 -17.700 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.026 4.679 -16.859 1.00 0.00 H new ATOM 453 N LYS A 27 -4.605 6.669 -15.270 1.00 0.00 N ATOM 454 CA LYS A 27 -4.815 7.493 -14.082 1.00 0.00 C ATOM 455 C LYS A 27 -4.841 6.606 -12.848 1.00 0.00 C ATOM 456 O LYS A 27 -4.161 6.856 -11.855 1.00 0.00 O ATOM 457 CB LYS A 27 -6.140 8.238 -14.218 1.00 0.00 C ATOM 458 CG LYS A 27 -7.098 8.475 -15.385 1.00 0.00 C ATOM 459 CD LYS A 27 -8.580 8.375 -15.005 1.00 0.00 C ATOM 460 CE LYS A 27 -9.133 9.642 -14.344 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.868 9.681 -12.897 1.00 0.00 N ATOM 0 H LYS A 27 -5.441 6.451 -15.811 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.004 8.214 -13.983 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.771 7.778 -13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.905 9.244 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.907 9.463 -15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.885 7.749 -16.170 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.162 8.160 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.716 7.533 -14.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.688 10.518 -14.816 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.208 9.698 -14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.305 10.531 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.270 8.834 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.841 9.706 -12.733 1.00 0.00 H new ATOM 475 N MET A 28 -5.641 5.556 -12.896 1.00 0.00 N ATOM 476 CA MET A 28 -5.732 4.690 -11.725 1.00 0.00 C ATOM 477 C MET A 28 -4.504 3.794 -11.669 1.00 0.00 C ATOM 478 O MET A 28 -4.189 3.068 -12.611 1.00 0.00 O ATOM 479 CB MET A 28 -6.996 3.834 -11.807 1.00 0.00 C ATOM 480 CG MET A 28 -8.259 4.693 -11.772 1.00 0.00 C ATOM 481 SD MET A 28 -9.705 3.619 -11.766 1.00 0.00 S ATOM 482 CE MET A 28 -10.990 4.879 -11.726 1.00 0.00 C ATOM 0 H MET A 28 -6.216 5.286 -13.694 1.00 0.00 H new ATOM 0 HA MET A 28 -5.779 5.301 -10.824 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.980 3.247 -12.725 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.012 3.128 -10.977 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.258 5.327 -10.885 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.287 5.356 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.957 4.419 -11.932 1.00 0.00 H new ATOM 0 HE2 MET A 28 -11.012 5.345 -10.741 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.780 5.637 -12.481 1.00 0.00 H new ATOM 492 N ILE A 29 -3.798 3.840 -10.554 1.00 0.00 N ATOM 493 CA ILE A 29 -2.607 3.003 -10.437 1.00 0.00 C ATOM 494 C ILE A 29 -3.055 1.583 -10.132 1.00 0.00 C ATOM 495 O ILE A 29 -3.655 1.302 -9.096 1.00 0.00 O ATOM 496 CB ILE A 29 -1.694 3.534 -9.323 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.351 5.024 -9.474 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.402 2.718 -9.257 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.692 5.403 -10.805 1.00 0.00 C ATOM 0 H ILE A 29 -4.012 4.421 -9.744 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.040 3.020 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.256 3.427 -8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.266 5.606 -9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.685 5.313 -8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.234 3.107 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.641 1.674 -9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.123 2.790 -10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.488 6.474 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.243 4.854 -10.918 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.362 5.151 -11.627 1.00 0.00 H new ATOM 511 N SER A 30 -2.763 0.668 -11.040 1.00 0.00 N ATOM 512 CA SER A 30 -3.166 -0.715 -10.804 1.00 0.00 C ATOM 513 C SER A 30 -2.171 -1.376 -9.863 1.00 0.00 C ATOM 514 O SER A 30 -1.029 -0.944 -9.720 1.00 0.00 O ATOM 515 CB SER A 30 -3.203 -1.459 -12.136 1.00 0.00 C ATOM 516 OG SER A 30 -4.133 -0.834 -13.008 1.00 0.00 O ATOM 0 H SER A 30 -2.269 0.842 -11.915 1.00 0.00 H new ATOM 0 HA SER A 30 -4.156 -0.743 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.212 -1.463 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.484 -2.500 -11.975 1.00 0.00 H new ATOM 0 HG SER A 30 -4.153 -1.313 -13.863 1.00 0.00 H new ATOM 522 N PHE A 31 -2.599 -2.443 -9.213 1.00 0.00 N ATOM 523 CA PHE A 31 -1.684 -3.126 -8.302 1.00 0.00 C ATOM 524 C PHE A 31 -2.209 -4.529 -8.033 1.00 0.00 C ATOM 525 O PHE A 31 -3.346 -4.857 -8.367 1.00 0.00 O ATOM 526 CB PHE A 31 -1.501 -2.325 -7.008 1.00 0.00 C ATOM 527 CG PHE A 31 -2.777 -2.117 -6.213 1.00 0.00 C ATOM 528 CD1 PHE A 31 -3.533 -1.029 -6.425 1.00 0.00 C ATOM 529 CD2 PHE A 31 -3.110 -2.977 -5.239 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.636 -0.822 -5.693 1.00 0.00 C ATOM 531 CE2 PHE A 31 -4.213 -2.770 -4.506 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.978 -1.694 -4.734 1.00 0.00 C ATOM 0 H PHE A 31 -3.533 -2.846 -9.289 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.699 -3.205 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.774 -2.837 -6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.078 -1.351 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.252 -0.318 -7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.488 -3.838 -5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.250 0.048 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.485 -3.471 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.869 -1.529 -4.146 1.00 0.00 H new ATOM 542 N THR A 32 -1.361 -5.353 -7.433 1.00 0.00 N ATOM 543 CA THR A 32 -1.752 -6.733 -7.128 1.00 0.00 C ATOM 544 C THR A 32 -1.448 -7.010 -5.665 1.00 0.00 C ATOM 545 O THR A 32 -0.345 -7.413 -5.298 1.00 0.00 O ATOM 546 CB THR A 32 -0.955 -7.702 -8.002 1.00 0.00 C ATOM 547 OG1 THR A 32 0.433 -7.455 -7.827 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.312 -7.539 -9.478 1.00 0.00 C ATOM 0 H THR A 32 -0.414 -5.102 -7.150 1.00 0.00 H new ATOM 0 HA THR A 32 -2.816 -6.868 -7.325 1.00 0.00 H new ATOM 0 HB THR A 32 -1.202 -8.720 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.627 -7.339 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.729 -8.242 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.374 -7.738 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.088 -6.521 -9.796 1.00 0.00 H new ATOM 556 N TYR A 33 -2.433 -6.796 -4.813 1.00 0.00 N ATOM 557 CA TYR A 33 -2.204 -7.049 -3.392 1.00 0.00 C ATOM 558 C TYR A 33 -2.240 -8.549 -3.141 1.00 0.00 C ATOM 559 O TYR A 33 -3.172 -9.247 -3.536 1.00 0.00 O ATOM 560 CB TYR A 33 -3.235 -6.304 -2.535 1.00 0.00 C ATOM 561 CG TYR A 33 -4.661 -6.796 -2.703 1.00 0.00 C ATOM 562 CD1 TYR A 33 -5.444 -6.297 -3.671 1.00 0.00 C ATOM 563 CD2 TYR A 33 -5.167 -7.680 -1.829 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.714 -6.708 -3.788 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.437 -8.091 -1.946 1.00 0.00 C ATOM 566 CZ TYR A 33 -7.209 -7.608 -2.928 1.00 0.00 C ATOM 567 OH TYR A 33 -8.509 -8.026 -3.047 1.00 0.00 O ATOM 0 H TYR A 33 -3.365 -6.462 -5.059 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.222 -6.672 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.953 -6.396 -1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.198 -5.243 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.050 -5.562 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.549 -8.061 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.339 -6.314 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.838 -8.812 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.708 -8.681 -2.345 1.00 0.00 H new ATOM 577 N ASP A 34 -1.219 -9.057 -2.476 1.00 0.00 N ATOM 578 CA ASP A 34 -1.196 -10.493 -2.210 1.00 0.00 C ATOM 579 C ASP A 34 -2.087 -10.800 -1.017 1.00 0.00 C ATOM 580 O ASP A 34 -1.909 -10.267 0.078 1.00 0.00 O ATOM 581 CB ASP A 34 0.238 -10.925 -1.919 1.00 0.00 C ATOM 582 CG ASP A 34 0.301 -12.417 -1.638 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.097 -13.212 -2.517 1.00 0.00 O ATOM 584 OD2 ASP A 34 0.750 -12.805 -0.538 1.00 0.00 O ATOM 0 H ASP A 34 -0.423 -8.528 -2.121 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.566 -11.038 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.876 -10.682 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.623 -10.372 -1.063 1.00 0.00 H new ATOM 589 N GLU A 35 -3.059 -11.669 -1.220 1.00 0.00 N ATOM 590 CA GLU A 35 -3.944 -12.004 -0.108 1.00 0.00 C ATOM 591 C GLU A 35 -4.666 -13.301 -0.438 1.00 0.00 C ATOM 592 O GLU A 35 -5.815 -13.308 -0.876 1.00 0.00 O ATOM 593 CB GLU A 35 -4.933 -10.854 0.093 1.00 0.00 C ATOM 594 CG GLU A 35 -5.899 -11.086 1.257 1.00 0.00 C ATOM 595 CD GLU A 35 -5.162 -11.195 2.584 1.00 0.00 C ATOM 596 OE1 GLU A 35 -4.676 -12.243 3.006 1.00 0.00 O ATOM 597 OE2 GLU A 35 -5.110 -9.993 3.240 1.00 0.00 O ATOM 0 H GLU A 35 -3.256 -12.141 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.382 -12.144 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.378 -9.932 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.506 -10.712 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.616 -10.266 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.469 -11.998 1.081 1.00 0.00 H new ATOM 605 N GLY A 36 -3.995 -14.418 -0.225 1.00 0.00 N ATOM 606 CA GLY A 36 -4.644 -15.693 -0.519 1.00 0.00 C ATOM 607 C GLY A 36 -3.598 -16.788 -0.656 1.00 0.00 C ATOM 608 O GLY A 36 -3.824 -17.947 -0.309 1.00 0.00 O ATOM 0 H GLY A 36 -3.042 -14.477 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.345 -15.946 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.222 -15.613 -1.440 1.00 0.00 H new ATOM 612 N GLY A 37 -2.435 -16.430 -1.169 1.00 0.00 N ATOM 613 CA GLY A 37 -1.399 -17.445 -1.334 1.00 0.00 C ATOM 614 C GLY A 37 -1.688 -18.282 -2.569 1.00 0.00 C ATOM 615 O GLY A 37 -1.359 -19.465 -2.643 1.00 0.00 O ATOM 0 H GLY A 37 -2.185 -15.488 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.423 -16.969 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.360 -18.084 -0.452 1.00 0.00 H new ATOM 619 N GLY A 38 -2.314 -17.670 -3.557 1.00 0.00 N ATOM 620 CA GLY A 38 -2.624 -18.426 -4.768 1.00 0.00 C ATOM 621 C GLY A 38 -3.712 -17.714 -5.556 1.00 0.00 C ATOM 622 O GLY A 38 -3.712 -17.694 -6.786 1.00 0.00 O ATOM 0 H GLY A 38 -2.610 -16.694 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.729 -18.532 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.951 -19.432 -4.506 1.00 0.00 H new ATOM 626 N LYS A 39 -4.652 -17.118 -4.848 1.00 0.00 N ATOM 627 CA LYS A 39 -5.717 -16.408 -5.551 1.00 0.00 C ATOM 628 C LYS A 39 -5.194 -15.059 -6.016 1.00 0.00 C ATOM 629 O LYS A 39 -5.356 -14.687 -7.179 1.00 0.00 O ATOM 630 CB LYS A 39 -6.903 -16.217 -4.609 1.00 0.00 C ATOM 631 CG LYS A 39 -7.446 -17.568 -4.154 1.00 0.00 C ATOM 632 CD LYS A 39 -8.626 -17.370 -3.204 1.00 0.00 C ATOM 633 CE LYS A 39 -9.141 -18.704 -2.667 1.00 0.00 C ATOM 634 NZ LYS A 39 -9.692 -19.520 -3.758 1.00 0.00 N ATOM 0 H LYS A 39 -4.707 -17.106 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.041 -16.984 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.596 -15.631 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.688 -15.654 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.760 -18.152 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.660 -18.135 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.322 -16.734 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.431 -16.851 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.330 -19.242 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.909 -18.527 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.202 -20.334 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.347 -18.945 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.917 -19.860 -4.363 1.00 0.00 H new ATOM 648 N THR A 40 -4.570 -14.346 -5.087 1.00 0.00 N ATOM 649 CA THR A 40 -4.005 -13.026 -5.392 1.00 0.00 C ATOM 650 C THR A 40 -5.085 -12.071 -5.884 1.00 0.00 C ATOM 651 O THR A 40 -5.450 -12.051 -7.058 1.00 0.00 O ATOM 652 CB THR A 40 -2.852 -13.148 -6.391 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.917 -14.098 -5.898 1.00 0.00 O ATOM 654 CG2 THR A 40 -2.142 -11.807 -6.570 1.00 0.00 C ATOM 0 H THR A 40 -4.440 -14.651 -4.122 1.00 0.00 H new ATOM 0 HA THR A 40 -3.598 -12.605 -4.473 1.00 0.00 H new ATOM 0 HB THR A 40 -3.255 -13.463 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.174 -14.185 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.327 -11.920 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.851 -11.067 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.742 -11.477 -5.612 1.00 0.00 H new ATOM 662 N GLY A 41 -5.605 -11.262 -4.980 1.00 0.00 N ATOM 663 CA GLY A 41 -6.644 -10.323 -5.393 1.00 0.00 C ATOM 664 C GLY A 41 -6.048 -9.239 -6.278 1.00 0.00 C ATOM 665 O GLY A 41 -4.838 -9.169 -6.491 1.00 0.00 O ATOM 0 H GLY A 41 -5.343 -11.229 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.430 -10.852 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.108 -9.873 -4.515 1.00 0.00 H new ATOM 669 N ARG A 42 -6.900 -8.381 -6.806 1.00 0.00 N ATOM 670 CA ARG A 42 -6.388 -7.323 -7.672 1.00 0.00 C ATOM 671 C ARG A 42 -7.405 -6.196 -7.744 1.00 0.00 C ATOM 672 O ARG A 42 -8.617 -6.414 -7.744 1.00 0.00 O ATOM 673 CB ARG A 42 -6.134 -7.892 -9.065 1.00 0.00 C ATOM 674 CG ARG A 42 -5.121 -9.033 -8.992 1.00 0.00 C ATOM 675 CD ARG A 42 -4.909 -9.680 -10.360 1.00 0.00 C ATOM 676 NE ARG A 42 -4.301 -8.722 -11.284 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.035 -9.093 -12.525 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.314 -10.318 -12.934 1.00 0.00 N ATOM 679 NH2 ARG A 42 -3.487 -8.232 -13.362 1.00 0.00 N ATOM 0 H ARG A 42 -7.910 -8.387 -6.663 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.453 -6.933 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.069 -8.253 -9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.762 -7.107 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.171 -8.654 -8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.468 -9.784 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.269 -10.557 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.863 -10.026 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.084 -7.775 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.738 -10.986 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.105 -10.595 -13.893 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.271 -7.285 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.280 -8.514 -14.320 1.00 0.00 H new ATOM 693 N GLY A 43 -6.918 -4.971 -7.808 1.00 0.00 N ATOM 694 CA GLY A 43 -7.847 -3.847 -7.881 1.00 0.00 C ATOM 695 C GLY A 43 -7.127 -2.618 -8.411 1.00 0.00 C ATOM 696 O GLY A 43 -6.176 -2.708 -9.187 1.00 0.00 O ATOM 0 H GLY A 43 -5.927 -4.728 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.685 -4.098 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.260 -3.640 -6.894 1.00 0.00 H new ATOM 700 N ALA A 44 -7.574 -1.448 -7.992 1.00 0.00 N ATOM 701 CA ALA A 44 -6.916 -0.235 -8.471 1.00 0.00 C ATOM 702 C ALA A 44 -7.287 0.930 -7.567 1.00 0.00 C ATOM 703 O ALA A 44 -8.101 0.809 -6.654 1.00 0.00 O ATOM 704 CB ALA A 44 -7.360 0.047 -9.903 1.00 0.00 C ATOM 0 H ALA A 44 -8.354 -1.307 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.834 -0.367 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.871 0.952 -10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.086 -0.793 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.441 0.184 -9.928 1.00 0.00 H new ATOM 710 N VAL A 45 -6.687 2.078 -7.819 1.00 0.00 N ATOM 711 CA VAL A 45 -7.006 3.236 -6.987 1.00 0.00 C ATOM 712 C VAL A 45 -6.615 4.498 -7.744 1.00 0.00 C ATOM 713 O VAL A 45 -5.533 4.602 -8.321 1.00 0.00 O ATOM 714 CB VAL A 45 -6.302 3.105 -5.631 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.777 3.095 -5.760 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.717 4.246 -4.704 1.00 0.00 C ATOM 0 H VAL A 45 -6.004 2.238 -8.559 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.074 3.292 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.610 2.147 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.329 3.000 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.470 2.253 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.445 4.025 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.209 4.139 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.443 5.200 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.795 4.215 -4.549 1.00 0.00 H new ATOM 726 N SER A 46 -7.511 5.469 -7.774 1.00 0.00 N ATOM 727 CA SER A 46 -7.196 6.692 -8.506 1.00 0.00 C ATOM 728 C SER A 46 -6.117 7.463 -7.762 1.00 0.00 C ATOM 729 O SER A 46 -5.850 7.212 -6.587 1.00 0.00 O ATOM 730 CB SER A 46 -8.458 7.542 -8.631 1.00 0.00 C ATOM 731 OG SER A 46 -9.460 6.812 -9.323 1.00 0.00 O ATOM 0 H SER A 46 -8.425 5.445 -7.323 1.00 0.00 H new ATOM 0 HA SER A 46 -6.831 6.444 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.818 7.824 -7.641 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.234 8.466 -9.164 1.00 0.00 H new ATOM 0 HG SER A 46 -10.269 7.359 -9.400 1.00 0.00 H new ATOM 737 N GLU A 47 -5.504 8.408 -8.461 1.00 0.00 N ATOM 738 CA GLU A 47 -4.423 9.193 -7.858 1.00 0.00 C ATOM 739 C GLU A 47 -4.930 10.572 -7.455 1.00 0.00 C ATOM 740 O GLU A 47 -4.223 11.573 -7.566 1.00 0.00 O ATOM 741 CB GLU A 47 -3.263 9.314 -8.851 1.00 0.00 C ATOM 742 CG GLU A 47 -3.643 10.010 -10.161 1.00 0.00 C ATOM 743 CD GLU A 47 -2.433 10.084 -11.079 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.306 10.277 -10.573 1.00 0.00 O ATOM 745 OE2 GLU A 47 -2.602 9.949 -12.310 1.00 0.00 O ATOM 0 H GLU A 47 -5.726 8.651 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.070 8.686 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.449 9.865 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.884 8.317 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.449 9.465 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.016 11.013 -9.955 1.00 0.00 H new ATOM 752 N LYS A 48 -6.158 10.641 -6.974 1.00 0.00 N ATOM 753 CA LYS A 48 -6.681 11.940 -6.557 1.00 0.00 C ATOM 754 C LYS A 48 -6.134 12.281 -5.180 1.00 0.00 C ATOM 755 O LYS A 48 -5.936 13.444 -4.833 1.00 0.00 O ATOM 756 CB LYS A 48 -8.206 11.876 -6.516 1.00 0.00 C ATOM 757 CG LYS A 48 -8.776 13.222 -6.069 1.00 0.00 C ATOM 758 CD LYS A 48 -10.294 13.176 -5.892 1.00 0.00 C ATOM 759 CE LYS A 48 -11.028 13.029 -7.223 1.00 0.00 C ATOM 760 NZ LYS A 48 -12.478 13.103 -6.997 1.00 0.00 N ATOM 0 H LYS A 48 -6.794 9.851 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.374 12.711 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.594 11.617 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.527 11.091 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.311 13.517 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.521 13.985 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.557 12.342 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.627 14.087 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.716 13.815 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.770 12.078 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.976 13.003 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.769 12.338 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.716 14.021 -6.571 1.00 0.00 H new ATOM 774 N ASP A 49 -5.882 11.261 -4.381 1.00 0.00 N ATOM 775 CA ASP A 49 -5.347 11.525 -3.048 1.00 0.00 C ATOM 776 C ASP A 49 -4.674 10.266 -2.527 1.00 0.00 C ATOM 777 O ASP A 49 -5.192 9.564 -1.659 1.00 0.00 O ATOM 778 CB ASP A 49 -6.488 11.945 -2.125 1.00 0.00 C ATOM 779 CG ASP A 49 -5.962 12.284 -0.739 1.00 0.00 C ATOM 780 OD1 ASP A 49 -5.265 13.310 -0.593 1.00 0.00 O ATOM 781 OD2 ASP A 49 -6.243 11.525 0.214 1.00 0.00 O ATOM 0 H ASP A 49 -6.030 10.279 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.612 12.329 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.003 12.809 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.220 11.141 -2.055 1.00 0.00 H new ATOM 786 N ALA A 50 -3.506 9.964 -3.062 1.00 0.00 N ATOM 787 CA ALA A 50 -2.812 8.762 -2.606 1.00 0.00 C ATOM 788 C ALA A 50 -2.152 9.097 -1.262 1.00 0.00 C ATOM 789 O ALA A 50 -1.989 10.284 -0.982 1.00 0.00 O ATOM 790 CB ALA A 50 -1.767 8.409 -3.666 1.00 0.00 C ATOM 0 H ALA A 50 -3.029 10.505 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.481 7.912 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.226 7.513 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.263 8.225 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.066 9.236 -3.776 1.00 0.00 H new ATOM 796 N PRO A 51 -1.739 8.152 -0.409 1.00 0.00 N ATOM 797 CA PRO A 51 -1.087 8.506 0.852 1.00 0.00 C ATOM 798 C PRO A 51 0.217 9.266 0.644 1.00 0.00 C ATOM 799 O PRO A 51 0.759 9.328 -0.458 1.00 0.00 O ATOM 800 CB PRO A 51 -0.798 7.140 1.471 1.00 0.00 C ATOM 801 CG PRO A 51 -1.849 6.210 0.872 1.00 0.00 C ATOM 802 CD PRO A 51 -2.040 6.725 -0.551 1.00 0.00 C ATOM 0 HA PRO A 51 -1.705 9.163 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.211 6.803 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.874 7.174 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.513 5.173 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.781 6.246 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.367 6.235 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.055 6.557 -0.912 1.00 0.00 H new ATOM 810 N LYS A 52 0.730 9.854 1.710 1.00 0.00 N ATOM 811 CA LYS A 52 1.958 10.633 1.564 1.00 0.00 C ATOM 812 C LYS A 52 3.165 9.708 1.578 1.00 0.00 C ATOM 813 O LYS A 52 4.221 10.018 1.028 1.00 0.00 O ATOM 814 CB LYS A 52 2.053 11.628 2.717 1.00 0.00 C ATOM 815 CG LYS A 52 0.848 12.566 2.713 1.00 0.00 C ATOM 816 CD LYS A 52 0.948 13.558 3.870 1.00 0.00 C ATOM 817 CE LYS A 52 -0.284 14.458 3.940 1.00 0.00 C ATOM 818 NZ LYS A 52 -0.371 15.308 2.744 1.00 0.00 N ATOM 0 H LYS A 52 0.340 9.815 2.652 1.00 0.00 H new ATOM 0 HA LYS A 52 1.941 11.170 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.101 11.092 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.973 12.207 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.800 13.104 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.072 11.988 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.058 13.015 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.842 14.170 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.183 13.847 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.236 15.081 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.098 16.037 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.548 15.764 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.625 14.725 1.921 1.00 0.00 H new ATOM 832 N GLU A 53 3.020 8.556 2.211 1.00 0.00 N ATOM 833 CA GLU A 53 4.160 7.646 2.301 1.00 0.00 C ATOM 834 C GLU A 53 4.275 6.824 1.026 1.00 0.00 C ATOM 835 O GLU A 53 5.337 6.303 0.690 1.00 0.00 O ATOM 836 CB GLU A 53 3.976 6.708 3.494 1.00 0.00 C ATOM 837 CG GLU A 53 3.991 7.472 4.817 1.00 0.00 C ATOM 838 CD GLU A 53 3.900 6.506 5.987 1.00 0.00 C ATOM 839 OE1 GLU A 53 4.935 5.911 6.358 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.794 6.335 6.543 1.00 0.00 O ATOM 0 H GLU A 53 2.161 8.233 2.656 1.00 0.00 H new ATOM 0 HA GLU A 53 5.070 8.232 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.033 6.171 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.769 5.960 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.905 8.061 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.156 8.172 4.849 1.00 0.00 H new ATOM 847 N LEU A 54 3.178 6.686 0.303 1.00 0.00 N ATOM 848 CA LEU A 54 3.228 5.858 -0.900 1.00 0.00 C ATOM 849 C LEU A 54 3.910 6.643 -2.012 1.00 0.00 C ATOM 850 O LEU A 54 4.589 6.085 -2.873 1.00 0.00 O ATOM 851 CB LEU A 54 1.792 5.445 -1.246 1.00 0.00 C ATOM 852 CG LEU A 54 1.707 4.241 -2.188 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.427 3.471 -1.877 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.664 4.656 -3.659 1.00 0.00 C ATOM 0 H LEU A 54 2.275 7.114 0.510 1.00 0.00 H new ATOM 0 HA LEU A 54 3.812 4.950 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.258 5.212 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.281 6.291 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 54 2.598 3.634 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.351 2.609 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.449 3.132 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.435 4.122 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.604 3.767 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.790 5.284 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.567 5.214 -3.906 1.00 0.00 H new ATOM 866 N LEU A 55 3.733 7.952 -2.014 1.00 0.00 N ATOM 867 CA LEU A 55 4.327 8.740 -3.093 1.00 0.00 C ATOM 868 C LEU A 55 5.818 8.905 -2.840 1.00 0.00 C ATOM 869 O LEU A 55 6.619 8.995 -3.769 1.00 0.00 O ATOM 870 CB LEU A 55 3.673 10.125 -3.162 1.00 0.00 C ATOM 871 CG LEU A 55 2.171 10.100 -3.465 1.00 0.00 C ATOM 872 CD1 LEU A 55 1.628 11.522 -3.341 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.890 9.595 -4.879 1.00 0.00 C ATOM 0 H LEU A 55 3.208 8.479 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 55 4.165 8.220 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.832 10.636 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.177 10.714 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 55 1.689 9.425 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.559 11.523 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.797 11.889 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.140 12.170 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.815 9.591 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.375 10.250 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.279 8.583 -4.988 1.00 0.00 H new ATOM 885 N GLN A 56 6.208 8.952 -1.579 1.00 0.00 N ATOM 886 CA GLN A 56 7.630 9.128 -1.285 1.00 0.00 C ATOM 887 C GLN A 56 8.347 7.792 -1.409 1.00 0.00 C ATOM 888 O GLN A 56 9.545 7.728 -1.686 1.00 0.00 O ATOM 889 CB GLN A 56 7.800 9.675 0.131 1.00 0.00 C ATOM 890 CG GLN A 56 7.246 11.095 0.248 1.00 0.00 C ATOM 891 CD GLN A 56 7.482 11.643 1.646 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.655 10.902 2.612 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.491 12.957 1.767 1.00 0.00 N ATOM 0 H GLN A 56 5.594 8.875 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 56 8.060 9.834 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.288 9.023 0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.856 9.671 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.725 11.741 -0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.179 11.095 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.345 13.546 0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.644 13.384 2.681 1.00 0.00 H new ATOM 902 N MET A 57 7.627 6.706 -1.196 1.00 0.00 N ATOM 903 CA MET A 57 8.285 5.403 -1.274 1.00 0.00 C ATOM 904 C MET A 57 8.620 5.095 -2.725 1.00 0.00 C ATOM 905 O MET A 57 9.759 4.783 -3.072 1.00 0.00 O ATOM 906 CB MET A 57 7.351 4.343 -0.689 1.00 0.00 C ATOM 907 CG MET A 57 7.982 2.950 -0.697 1.00 0.00 C ATOM 908 SD MET A 57 9.549 2.966 0.193 1.00 0.00 S ATOM 909 CE MET A 57 8.940 3.107 1.882 1.00 0.00 C ATOM 0 H MET A 57 6.631 6.689 -0.977 1.00 0.00 H new ATOM 0 HA MET A 57 9.213 5.408 -0.702 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.090 4.616 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.423 4.323 -1.261 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.302 2.233 -0.237 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.143 2.622 -1.724 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.742 2.866 2.579 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.597 4.126 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.111 2.414 2.029 1.00 0.00 H new ATOM 919 N LEU A 58 7.626 5.165 -3.591 1.00 0.00 N ATOM 920 CA LEU A 58 7.889 4.824 -4.986 1.00 0.00 C ATOM 921 C LEU A 58 8.638 5.973 -5.640 1.00 0.00 C ATOM 922 O LEU A 58 9.692 5.790 -6.248 1.00 0.00 O ATOM 923 CB LEU A 58 6.575 4.578 -5.734 1.00 0.00 C ATOM 924 CG LEU A 58 5.735 3.422 -5.176 1.00 0.00 C ATOM 925 CD1 LEU A 58 4.402 3.388 -5.918 1.00 0.00 C ATOM 926 CD2 LEU A 58 6.433 2.076 -5.367 1.00 0.00 C ATOM 0 H LEU A 58 6.669 5.441 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 58 8.487 3.914 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.979 5.490 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.800 4.375 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 58 5.592 3.586 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.792 2.571 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.879 4.333 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.582 3.236 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.808 1.281 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.598 1.899 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.391 2.086 -4.848 1.00 0.00 H new ATOM 938 N GLU A 59 8.096 7.172 -5.517 1.00 0.00 N ATOM 939 CA GLU A 59 8.751 8.322 -6.142 1.00 0.00 C ATOM 940 C GLU A 59 9.811 8.875 -5.201 1.00 0.00 C ATOM 941 O GLU A 59 9.598 9.866 -4.504 1.00 0.00 O ATOM 942 CB GLU A 59 7.714 9.406 -6.433 1.00 0.00 C ATOM 943 CG GLU A 59 6.691 8.942 -7.469 1.00 0.00 C ATOM 944 CD GLU A 59 5.729 10.070 -7.804 1.00 0.00 C ATOM 945 OE1 GLU A 59 4.929 10.461 -6.926 1.00 0.00 O ATOM 946 OE2 GLU A 59 5.767 10.574 -8.947 1.00 0.00 O ATOM 0 H GLU A 59 7.235 7.378 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 59 9.220 8.009 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.201 9.677 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.216 10.304 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.203 8.611 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.137 8.085 -7.085 1.00 0.00 H new