USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 26 CYS SG : rot -143:sc= 0.141 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.788 K(o=1.5,f=0.26) USER MOD Set 1.3: A 30 TYR OH : rot 15:sc= 0.18 USER MOD Set 1.4: A 51 CYS SG : rot -51:sc= 1.49 USER MOD Set 1.5: A 56 CYS SG : rot -160:sc= 0.481 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.93 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc=-0.00844 (180deg=-0.122) USER MOD Single : A 17 MET CE :methyl -178:sc= 0 (180deg=-0.0076) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -5.63! C(o=-5.6!,f=-16!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 140:sc= -2.61 (180deg=-6.11!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00479) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.36) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-5.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.044 9.530 8.177 1.00 0.00 N ATOM 67 CA PHE A 8 0.429 8.209 8.219 1.00 0.00 C ATOM 68 C PHE A 8 1.455 7.143 8.595 1.00 0.00 C ATOM 69 O PHE A 8 2.412 6.899 7.860 1.00 0.00 O ATOM 70 CB PHE A 8 -0.200 7.872 6.866 1.00 0.00 C ATOM 71 CG PHE A 8 -1.506 8.572 6.621 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.691 8.050 7.114 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.548 9.754 5.898 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.894 8.692 6.889 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.748 10.401 5.670 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.922 9.870 6.168 1.00 0.00 C ATOM 0 HA PHE A 8 -0.351 8.223 8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.499 8.137 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.357 6.795 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.674 7.131 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.633 10.174 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.811 8.273 7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.768 11.320 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.861 10.375 5.994 1.00 0.00 H new ATOM 86 N THR A 9 1.248 6.511 9.746 1.00 0.00 N ATOM 87 CA THR A 9 2.154 5.474 10.222 1.00 0.00 C ATOM 88 C THR A 9 1.415 4.160 10.449 1.00 0.00 C ATOM 89 O THR A 9 0.344 4.136 11.057 1.00 0.00 O ATOM 90 CB THR A 9 2.849 5.891 11.532 1.00 0.00 C ATOM 91 OG1 THR A 9 2.176 7.018 12.105 1.00 0.00 O ATOM 92 CG2 THR A 9 4.309 6.239 11.283 1.00 0.00 C ATOM 0 H THR A 9 0.460 6.700 10.366 1.00 0.00 H new ATOM 0 HA THR A 9 2.909 5.335 9.448 1.00 0.00 H new ATOM 0 HB THR A 9 2.805 5.051 12.225 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.622 7.276 12.938 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.779 6.530 12.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.825 5.371 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.370 7.065 10.575 1.00 0.00 H new ATOM 100 N CYS A 10 1.993 3.069 9.958 1.00 0.00 N ATOM 101 CA CYS A 10 1.388 1.750 10.107 1.00 0.00 C ATOM 102 C CYS A 10 1.630 1.197 11.508 1.00 0.00 C ATOM 103 O CYS A 10 2.753 1.184 12.012 1.00 0.00 O ATOM 104 CB CYS A 10 1.950 0.787 9.061 1.00 0.00 C ATOM 105 SG CYS A 10 0.995 -0.737 8.872 1.00 0.00 S ATOM 0 H CYS A 10 2.879 3.072 9.453 1.00 0.00 H new ATOM 0 HA CYS A 10 0.313 1.851 9.956 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.993 1.298 8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.974 0.530 9.332 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.257 -0.444 8.680 1.00 0.00 H new ATOM 111 N PRO A 11 0.551 0.728 12.154 1.00 0.00 N ATOM 112 CA PRO A 11 0.621 0.166 13.505 1.00 0.00 C ATOM 113 C PRO A 11 1.345 -1.176 13.539 1.00 0.00 C ATOM 114 O PRO A 11 1.626 -1.713 14.610 1.00 0.00 O ATOM 115 CB PRO A 11 -0.850 -0.010 13.892 1.00 0.00 C ATOM 116 CG PRO A 11 -1.569 -0.146 12.595 1.00 0.00 C ATOM 117 CD PRO A 11 -0.819 0.711 11.614 1.00 0.00 C ATOM 0 HA PRO A 11 1.182 0.808 14.185 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.992 -0.891 14.518 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.215 0.846 14.459 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.591 -1.186 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.605 0.181 12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.849 0.291 10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.240 1.715 11.553 1.00 0.00 H new ATOM 125 N ILE A 12 1.643 -1.711 12.360 1.00 0.00 N ATOM 126 CA ILE A 12 2.336 -2.989 12.255 1.00 0.00 C ATOM 127 C ILE A 12 3.833 -2.788 12.047 1.00 0.00 C ATOM 128 O ILE A 12 4.649 -3.235 12.853 1.00 0.00 O ATOM 129 CB ILE A 12 1.778 -3.839 11.098 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.262 -3.997 11.236 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.457 -5.200 11.065 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.392 -4.629 10.028 1.00 0.00 C ATOM 0 H ILE A 12 1.415 -1.279 11.464 1.00 0.00 H new ATOM 0 HA ILE A 12 2.170 -3.515 13.195 1.00 0.00 H new ATOM 0 HB ILE A 12 1.987 -3.328 10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.047 -4.605 12.115 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.183 -3.017 11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.052 -5.789 10.242 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.530 -5.068 10.923 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.277 -5.720 12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.466 -4.710 10.196 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.208 -4.011 9.149 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.026 -5.623 9.866 1.00 0.00 H new ATOM 144 N THR A 13 4.188 -2.109 10.960 1.00 0.00 N ATOM 145 CA THR A 13 5.587 -1.847 10.646 1.00 0.00 C ATOM 146 C THR A 13 6.120 -0.669 11.453 1.00 0.00 C ATOM 147 O THR A 13 7.321 -0.398 11.456 1.00 0.00 O ATOM 148 CB THR A 13 5.781 -1.557 9.146 1.00 0.00 C ATOM 149 OG1 THR A 13 4.958 -0.454 8.750 1.00 0.00 O ATOM 150 CG2 THR A 13 5.435 -2.779 8.309 1.00 0.00 C ATOM 0 H THR A 13 3.526 -1.731 10.283 1.00 0.00 H new ATOM 0 HA THR A 13 6.144 -2.746 10.910 1.00 0.00 H new ATOM 0 HB THR A 13 6.829 -1.307 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.088 -0.275 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.580 -2.550 7.253 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.082 -3.609 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.395 -3.055 8.481 1.00 0.00 H new ATOM 158 N LYS A 14 5.221 0.029 12.138 1.00 0.00 N ATOM 159 CA LYS A 14 5.600 1.178 12.951 1.00 0.00 C ATOM 160 C LYS A 14 6.367 2.203 12.121 1.00 0.00 C ATOM 161 O LYS A 14 7.166 2.972 12.653 1.00 0.00 O ATOM 162 CB LYS A 14 6.453 0.728 14.140 1.00 0.00 C ATOM 163 CG LYS A 14 5.636 0.284 15.341 1.00 0.00 C ATOM 164 CD LYS A 14 4.781 -0.929 15.016 1.00 0.00 C ATOM 165 CE LYS A 14 4.672 -1.870 16.207 1.00 0.00 C ATOM 166 NZ LYS A 14 5.952 -2.586 16.466 1.00 0.00 N ATOM 0 H LYS A 14 4.223 -0.182 12.146 1.00 0.00 H new ATOM 0 HA LYS A 14 4.688 1.646 13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.096 -0.094 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.106 1.548 14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.304 0.048 16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.997 1.103 15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.785 -0.603 14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.211 -1.462 14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.387 -1.303 17.093 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.880 -2.596 16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.772 -3.408 17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.359 -2.907 15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.620 -1.944 16.938 1.00 0.00 H new ATOM 180 N GLU A 15 6.116 2.207 10.816 1.00 0.00 N ATOM 181 CA GLU A 15 6.783 3.139 9.914 1.00 0.00 C ATOM 182 C GLU A 15 5.767 3.879 9.048 1.00 0.00 C ATOM 183 O GLU A 15 4.559 3.734 9.230 1.00 0.00 O ATOM 184 CB GLU A 15 7.782 2.395 9.024 1.00 0.00 C ATOM 185 CG GLU A 15 8.743 1.509 9.798 1.00 0.00 C ATOM 186 CD GLU A 15 10.196 1.838 9.516 1.00 0.00 C ATOM 187 OE1 GLU A 15 10.524 3.039 9.414 1.00 0.00 O ATOM 188 OE2 GLU A 15 11.006 0.894 9.399 1.00 0.00 O ATOM 0 H GLU A 15 5.457 1.576 10.360 1.00 0.00 H new ATOM 0 HA GLU A 15 7.320 3.870 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.233 1.783 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.355 3.122 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.551 1.617 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.555 0.466 9.544 1.00 0.00 H new ATOM 195 N GLU A 16 6.268 4.673 8.106 1.00 0.00 N ATOM 196 CA GLU A 16 5.405 5.437 7.213 1.00 0.00 C ATOM 197 C GLU A 16 4.654 4.512 6.259 1.00 0.00 C ATOM 198 O GLU A 16 5.130 3.427 5.927 1.00 0.00 O ATOM 199 CB GLU A 16 6.228 6.451 6.416 1.00 0.00 C ATOM 200 CG GLU A 16 5.486 7.746 6.130 1.00 0.00 C ATOM 201 CD GLU A 16 6.330 8.975 6.410 1.00 0.00 C ATOM 202 OE1 GLU A 16 7.569 8.886 6.283 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.749 10.026 6.755 1.00 0.00 O ATOM 0 H GLU A 16 7.266 4.804 7.942 1.00 0.00 H new ATOM 0 HA GLU A 16 4.676 5.971 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.141 6.679 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.530 5.999 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.170 7.757 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.582 7.784 6.738 1.00 0.00 H new ATOM 210 N MET A 17 3.478 4.950 5.823 1.00 0.00 N ATOM 211 CA MET A 17 2.661 4.163 4.907 1.00 0.00 C ATOM 212 C MET A 17 2.686 4.762 3.504 1.00 0.00 C ATOM 213 O MET A 17 2.680 5.982 3.339 1.00 0.00 O ATOM 214 CB MET A 17 1.220 4.082 5.414 1.00 0.00 C ATOM 215 CG MET A 17 1.110 3.628 6.860 1.00 0.00 C ATOM 216 SD MET A 17 -0.390 2.679 7.178 1.00 0.00 S ATOM 217 CE MET A 17 -1.644 3.930 6.911 1.00 0.00 C ATOM 0 H MET A 17 3.069 5.846 6.089 1.00 0.00 H new ATOM 0 HA MET A 17 3.079 3.157 4.861 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.752 5.061 5.313 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.659 3.394 4.782 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.980 3.022 7.113 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.129 4.500 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.629 3.505 7.105 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.471 4.768 7.586 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.596 4.279 5.879 1.00 0.00 H new ATOM 227 N LYS A 18 2.715 3.897 2.496 1.00 0.00 N ATOM 228 CA LYS A 18 2.739 4.340 1.107 1.00 0.00 C ATOM 229 C LYS A 18 1.511 3.839 0.354 1.00 0.00 C ATOM 230 O LYS A 18 1.011 4.506 -0.552 1.00 0.00 O ATOM 231 CB LYS A 18 4.012 3.845 0.415 1.00 0.00 C ATOM 232 CG LYS A 18 5.288 4.228 1.143 1.00 0.00 C ATOM 233 CD LYS A 18 5.607 5.704 0.971 1.00 0.00 C ATOM 234 CE LYS A 18 6.848 6.101 1.757 1.00 0.00 C ATOM 235 NZ LYS A 18 7.003 7.580 1.838 1.00 0.00 N ATOM 0 H LYS A 18 2.722 2.884 2.615 1.00 0.00 H new ATOM 0 HA LYS A 18 2.728 5.430 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.967 2.760 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.046 4.249 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.186 3.998 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.117 3.629 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.758 5.924 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.758 6.302 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.789 5.686 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.730 5.669 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.860 7.810 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.085 7.974 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.173 7.991 2.311 1.00 0.00 H new ATOM 249 N LYS A 19 1.028 2.662 0.736 1.00 0.00 N ATOM 250 CA LYS A 19 -0.144 2.072 0.100 1.00 0.00 C ATOM 251 C LYS A 19 -1.228 1.771 1.129 1.00 0.00 C ATOM 252 O LYS A 19 -1.362 0.647 1.615 1.00 0.00 O ATOM 253 CB LYS A 19 0.243 0.790 -0.640 1.00 0.00 C ATOM 254 CG LYS A 19 0.825 1.036 -2.021 1.00 0.00 C ATOM 255 CD LYS A 19 2.273 0.582 -2.105 1.00 0.00 C ATOM 256 CE LYS A 19 2.957 1.130 -3.348 1.00 0.00 C ATOM 257 NZ LYS A 19 3.384 0.042 -4.271 1.00 0.00 N ATOM 0 H LYS A 19 1.431 2.097 1.484 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.539 2.792 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.970 0.240 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.638 0.155 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.233 0.505 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.761 2.098 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.811 0.912 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.314 -0.507 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.277 1.803 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.826 1.719 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.846 0.456 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.053 -0.586 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.552 -0.505 -4.571 1.00 0.00 H new ATOM 271 N PRO A 20 -2.023 2.796 1.471 1.00 0.00 N ATOM 272 CA PRO A 20 -3.111 2.664 2.444 1.00 0.00 C ATOM 273 C PRO A 20 -4.264 1.819 1.914 1.00 0.00 C ATOM 274 O PRO A 20 -4.829 2.113 0.860 1.00 0.00 O ATOM 275 CB PRO A 20 -3.565 4.109 2.667 1.00 0.00 C ATOM 276 CG PRO A 20 -3.182 4.823 1.417 1.00 0.00 C ATOM 277 CD PRO A 20 -1.921 4.163 0.932 1.00 0.00 C ATOM 0 HA PRO A 20 -2.785 2.160 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.640 4.164 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.078 4.547 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.972 4.752 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.019 5.884 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.861 4.162 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.032 4.675 1.300 1.00 0.00 H new ATOM 285 N VAL A 21 -4.610 0.769 2.651 1.00 0.00 N ATOM 286 CA VAL A 21 -5.698 -0.118 2.256 1.00 0.00 C ATOM 287 C VAL A 21 -6.835 -0.081 3.271 1.00 0.00 C ATOM 288 O VAL A 21 -6.640 -0.380 4.450 1.00 0.00 O ATOM 289 CB VAL A 21 -5.210 -1.571 2.101 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.309 -1.705 0.883 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.489 -2.027 3.361 1.00 0.00 C ATOM 0 H VAL A 21 -4.153 0.511 3.525 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.063 0.240 1.293 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.078 -2.214 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.974 -2.738 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.862 -1.421 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.444 -1.052 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.151 -3.055 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.629 -1.382 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.170 -1.971 4.210 1.00 0.00 H new ATOM 301 N LYS A 22 -8.023 0.289 2.807 1.00 0.00 N ATOM 302 CA LYS A 22 -9.194 0.365 3.673 1.00 0.00 C ATOM 303 C LYS A 22 -10.015 -0.918 3.591 1.00 0.00 C ATOM 304 O LYS A 22 -10.202 -1.478 2.511 1.00 0.00 O ATOM 305 CB LYS A 22 -10.062 1.565 3.289 1.00 0.00 C ATOM 306 CG LYS A 22 -11.115 1.911 4.327 1.00 0.00 C ATOM 307 CD LYS A 22 -12.377 2.458 3.680 1.00 0.00 C ATOM 308 CE LYS A 22 -13.182 1.356 3.009 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.508 1.845 2.539 1.00 0.00 N ATOM 0 H LYS A 22 -8.201 0.541 1.835 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.848 0.489 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.420 2.432 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.555 1.357 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.359 1.022 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.713 2.647 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.990 2.950 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.110 3.215 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.620 0.960 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.326 0.533 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.026 1.064 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.054 2.200 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.371 2.613 1.851 1.00 0.00 H new ATOM 323 N ASN A 23 -10.506 -1.376 4.738 1.00 0.00 N ATOM 324 CA ASN A 23 -11.308 -2.593 4.794 1.00 0.00 C ATOM 325 C ASN A 23 -12.796 -2.267 4.708 1.00 0.00 C ATOM 326 O ASN A 23 -13.269 -1.303 5.311 1.00 0.00 O ATOM 327 CB ASN A 23 -11.017 -3.361 6.085 1.00 0.00 C ATOM 328 CG ASN A 23 -11.346 -4.837 5.966 1.00 0.00 C ATOM 329 OD1 ASN A 23 -12.353 -5.213 5.365 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.496 -5.680 6.540 1.00 0.00 N ATOM 0 H ASN A 23 -10.363 -0.923 5.641 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.040 -3.215 3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.964 -3.246 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.595 -2.927 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.665 -6.685 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.674 -5.323 7.027 1.00 0.00 H new ATOM 337 N LYS A 24 -13.531 -3.077 3.953 1.00 0.00 N ATOM 338 CA LYS A 24 -14.966 -2.878 3.788 1.00 0.00 C ATOM 339 C LYS A 24 -15.726 -3.351 5.022 1.00 0.00 C ATOM 340 O LYS A 24 -16.844 -2.906 5.283 1.00 0.00 O ATOM 341 CB LYS A 24 -15.466 -3.626 2.550 1.00 0.00 C ATOM 342 CG LYS A 24 -15.212 -5.122 2.600 1.00 0.00 C ATOM 343 CD LYS A 24 -15.006 -5.699 1.209 1.00 0.00 C ATOM 344 CE LYS A 24 -16.264 -5.580 0.364 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.396 -6.709 -0.598 1.00 0.00 N ATOM 0 H LYS A 24 -13.156 -3.878 3.445 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.147 -1.811 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.536 -3.451 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.981 -3.213 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.333 -5.323 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.055 -5.619 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.185 -5.178 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.717 -6.747 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.138 -5.554 1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.246 -4.637 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.266 -6.591 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.575 -6.719 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.439 -7.607 -0.075 1.00 0.00 H new ATOM 359 N VAL A 25 -15.113 -4.254 5.780 1.00 0.00 N ATOM 360 CA VAL A 25 -15.731 -4.785 6.989 1.00 0.00 C ATOM 361 C VAL A 25 -15.727 -3.750 8.109 1.00 0.00 C ATOM 362 O VAL A 25 -16.780 -3.275 8.534 1.00 0.00 O ATOM 363 CB VAL A 25 -15.010 -6.056 7.477 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.784 -6.706 8.614 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.816 -7.032 6.326 1.00 0.00 C ATOM 0 H VAL A 25 -14.188 -4.634 5.578 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.761 -5.036 6.734 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.027 -5.774 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.260 -7.602 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.867 -6.006 9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.781 -6.977 8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.305 -7.924 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.787 -7.310 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.216 -6.561 5.547 1.00 0.00 H new ATOM 375 N CYS A 26 -14.534 -3.405 8.583 1.00 0.00 N ATOM 376 CA CYS A 26 -14.391 -2.426 9.654 1.00 0.00 C ATOM 377 C CYS A 26 -14.325 -1.009 9.090 1.00 0.00 C ATOM 378 O CYS A 26 -15.216 -0.195 9.324 1.00 0.00 O ATOM 379 CB CYS A 26 -13.135 -2.719 10.476 1.00 0.00 C ATOM 380 SG CYS A 26 -12.749 -1.448 11.722 1.00 0.00 S ATOM 0 H CYS A 26 -13.653 -3.789 8.242 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.265 -2.500 10.300 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.258 -3.679 10.978 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.286 -2.819 9.800 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.461 -1.291 11.797 1.00 0.00 H new ATOM 385 N GLY A 27 -13.260 -0.724 8.347 1.00 0.00 N ATOM 386 CA GLY A 27 -13.096 0.594 7.761 1.00 0.00 C ATOM 387 C GLY A 27 -11.709 1.161 7.988 1.00 0.00 C ATOM 388 O GLY A 27 -11.283 2.079 7.287 1.00 0.00 O ATOM 0 H GLY A 27 -12.508 -1.382 8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.292 0.539 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.836 1.272 8.186 1.00 0.00 H new ATOM 392 N HIS A 28 -11.001 0.614 8.971 1.00 0.00 N ATOM 393 CA HIS A 28 -9.653 1.071 9.290 1.00 0.00 C ATOM 394 C HIS A 28 -8.761 1.037 8.052 1.00 0.00 C ATOM 395 O HIS A 28 -9.163 0.544 6.997 1.00 0.00 O ATOM 396 CB HIS A 28 -9.046 0.207 10.395 1.00 0.00 C ATOM 397 CG HIS A 28 -9.318 0.721 11.775 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.713 -0.092 12.816 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.248 1.973 12.283 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.877 0.638 13.905 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.600 1.896 13.608 1.00 0.00 N ATOM 0 H HIS A 28 -11.339 -0.147 9.561 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.719 2.101 9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.439 -0.806 10.310 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.968 0.145 10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.967 2.867 11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.185 0.270 14.873 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.641 2.682 14.257 1.00 0.00 H new ATOM 409 N THR A 29 -7.548 1.563 8.188 1.00 0.00 N ATOM 410 CA THR A 29 -6.600 1.594 7.081 1.00 0.00 C ATOM 411 C THR A 29 -5.221 1.120 7.525 1.00 0.00 C ATOM 412 O THR A 29 -4.773 1.431 8.629 1.00 0.00 O ATOM 413 CB THR A 29 -6.478 3.010 6.486 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.205 3.944 7.291 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.004 3.044 5.059 1.00 0.00 C ATOM 0 H THR A 29 -7.199 1.973 9.054 1.00 0.00 H new ATOM 0 HA THR A 29 -6.984 0.919 6.316 1.00 0.00 H new ATOM 0 HB THR A 29 -5.424 3.286 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.121 4.842 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.908 4.054 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.428 2.354 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.053 2.749 5.051 1.00 0.00 H new ATOM 423 N TYR A 30 -4.552 0.369 6.658 1.00 0.00 N ATOM 424 CA TYR A 30 -3.223 -0.149 6.963 1.00 0.00 C ATOM 425 C TYR A 30 -2.341 -0.151 5.718 1.00 0.00 C ATOM 426 O TYR A 30 -2.788 0.201 4.627 1.00 0.00 O ATOM 427 CB TYR A 30 -3.323 -1.566 7.532 1.00 0.00 C ATOM 428 CG TYR A 30 -4.503 -1.765 8.456 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.503 -1.234 9.740 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.618 -2.485 8.045 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.578 -1.414 10.588 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.698 -2.669 8.886 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.674 -2.132 10.156 1.00 0.00 C ATOM 434 OH TYR A 30 -7.748 -2.314 10.997 1.00 0.00 O ATOM 0 H TYR A 30 -4.907 0.105 5.739 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.768 0.504 7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.394 -2.275 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.405 -1.797 8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.647 -0.670 10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.641 -2.908 7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.561 -0.995 11.583 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.557 -3.231 8.551 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.684 -1.689 11.749 1.00 0.00 H new ATOM 444 N GLU A 31 -1.085 -0.549 5.891 1.00 0.00 N ATOM 445 CA GLU A 31 -0.139 -0.596 4.782 1.00 0.00 C ATOM 446 C GLU A 31 -0.286 -1.896 3.997 1.00 0.00 C ATOM 447 O GLU A 31 -0.583 -2.946 4.565 1.00 0.00 O ATOM 448 CB GLU A 31 1.295 -0.460 5.299 1.00 0.00 C ATOM 449 CG GLU A 31 2.352 -0.757 4.249 1.00 0.00 C ATOM 450 CD GLU A 31 3.613 0.062 4.442 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.895 0.454 5.594 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.318 0.312 3.442 1.00 0.00 O ATOM 0 H GLU A 31 -0.699 -0.843 6.788 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.358 0.238 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.442 0.553 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.433 -1.136 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.603 -1.817 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.942 -0.557 3.259 1.00 0.00 H new ATOM 459 N GLU A 32 -0.077 -1.815 2.686 1.00 0.00 N ATOM 460 CA GLU A 32 -0.188 -2.985 1.822 1.00 0.00 C ATOM 461 C GLU A 32 0.704 -4.118 2.323 1.00 0.00 C ATOM 462 O GLU A 32 0.215 -5.150 2.782 1.00 0.00 O ATOM 463 CB GLU A 32 0.189 -2.622 0.384 1.00 0.00 C ATOM 464 CG GLU A 32 -0.341 -3.601 -0.649 1.00 0.00 C ATOM 465 CD GLU A 32 -0.083 -3.144 -2.072 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.008 -2.596 -2.331 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.974 -3.334 -2.926 1.00 0.00 O ATOM 0 H GLU A 32 0.170 -0.953 2.200 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.224 -3.324 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.192 -1.626 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.275 -2.574 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.124 -4.574 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.413 -3.733 -0.502 1.00 0.00 H new ATOM 474 N ASP A 33 2.013 -3.916 2.231 1.00 0.00 N ATOM 475 CA ASP A 33 2.974 -4.920 2.675 1.00 0.00 C ATOM 476 C ASP A 33 2.653 -5.392 4.089 1.00 0.00 C ATOM 477 O ASP A 33 2.924 -6.537 4.449 1.00 0.00 O ATOM 478 CB ASP A 33 4.395 -4.355 2.623 1.00 0.00 C ATOM 479 CG ASP A 33 4.882 -4.144 1.203 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.210 -4.626 0.267 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.936 -3.497 1.028 1.00 0.00 O ATOM 0 H ASP A 33 2.434 -3.067 1.853 1.00 0.00 H new ATOM 0 HA ASP A 33 2.906 -5.775 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.426 -3.407 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.073 -5.035 3.139 1.00 0.00 H new ATOM 486 N ALA A 34 2.074 -4.501 4.888 1.00 0.00 N ATOM 487 CA ALA A 34 1.714 -4.827 6.262 1.00 0.00 C ATOM 488 C ALA A 34 0.570 -5.833 6.307 1.00 0.00 C ATOM 489 O ALA A 34 0.727 -6.944 6.814 1.00 0.00 O ATOM 490 CB ALA A 34 1.339 -3.563 7.023 1.00 0.00 C ATOM 0 H ALA A 34 1.844 -3.548 4.607 1.00 0.00 H new ATOM 0 HA ALA A 34 2.581 -5.283 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.072 -3.821 8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.187 -2.878 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.489 -3.084 6.537 1.00 0.00 H new ATOM 496 N ILE A 35 -0.582 -5.436 5.775 1.00 0.00 N ATOM 497 CA ILE A 35 -1.752 -6.304 5.754 1.00 0.00 C ATOM 498 C ILE A 35 -1.497 -7.551 4.914 1.00 0.00 C ATOM 499 O ILE A 35 -2.181 -8.564 5.063 1.00 0.00 O ATOM 500 CB ILE A 35 -2.988 -5.570 5.201 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.247 -6.413 5.414 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.799 -5.254 3.725 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.550 -6.688 6.870 1.00 0.00 C ATOM 0 H ILE A 35 -0.729 -4.519 5.353 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.945 -6.597 6.786 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.107 -4.631 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.098 -5.901 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.132 -7.362 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.681 -4.735 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.922 -4.619 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.658 -6.181 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.455 -7.290 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.716 -7.228 7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.697 -5.744 7.396 1.00 0.00 H new ATOM 515 N VAL A 36 -0.507 -7.470 4.030 1.00 0.00 N ATOM 516 CA VAL A 36 -0.159 -8.593 3.168 1.00 0.00 C ATOM 517 C VAL A 36 0.792 -9.554 3.873 1.00 0.00 C ATOM 518 O VAL A 36 0.683 -10.771 3.726 1.00 0.00 O ATOM 519 CB VAL A 36 0.492 -8.113 1.857 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.034 -9.294 1.066 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.505 -7.318 1.027 1.00 0.00 C ATOM 0 H VAL A 36 0.068 -6.639 3.892 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.088 -9.113 2.935 1.00 0.00 H new ATOM 0 HB VAL A 36 1.327 -7.458 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.490 -8.935 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.782 -9.818 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.219 -9.976 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.028 -6.987 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.362 -7.947 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.840 -6.450 1.594 1.00 0.00 H new ATOM 531 N ARG A 37 1.725 -8.998 4.638 1.00 0.00 N ATOM 532 CA ARG A 37 2.697 -9.805 5.366 1.00 0.00 C ATOM 533 C ARG A 37 2.096 -10.342 6.662 1.00 0.00 C ATOM 534 O ARG A 37 2.537 -11.366 7.184 1.00 0.00 O ATOM 535 CB ARG A 37 3.948 -8.980 5.675 1.00 0.00 C ATOM 536 CG ARG A 37 3.770 -8.017 6.837 1.00 0.00 C ATOM 537 CD ARG A 37 5.043 -7.229 7.107 1.00 0.00 C ATOM 538 NE ARG A 37 5.212 -6.931 8.526 1.00 0.00 N ATOM 539 CZ ARG A 37 5.632 -7.820 9.419 1.00 0.00 C ATOM 540 NH1 ARG A 37 5.925 -9.056 9.041 1.00 0.00 N ATOM 541 NH2 ARG A 37 5.760 -7.472 10.693 1.00 0.00 N ATOM 0 H ARG A 37 1.829 -7.992 4.770 1.00 0.00 H new ATOM 0 HA ARG A 37 2.974 -10.650 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.773 -9.656 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.230 -8.416 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.954 -7.328 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.488 -8.572 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.903 -7.796 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.019 -6.298 6.541 1.00 0.00 H new ATOM 0 HE ARG A 37 4.996 -5.988 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.828 -9.326 8.062 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.247 -9.737 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.536 -6.521 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.083 -8.155 11.378 1.00 0.00 H new ATOM 555 N MET A 38 1.088 -9.644 7.174 1.00 0.00 N ATOM 556 CA MET A 38 0.426 -10.052 8.408 1.00 0.00 C ATOM 557 C MET A 38 -0.464 -11.268 8.172 1.00 0.00 C ATOM 558 O MET A 38 -0.304 -12.301 8.822 1.00 0.00 O ATOM 559 CB MET A 38 -0.405 -8.898 8.971 1.00 0.00 C ATOM 560 CG MET A 38 -1.215 -9.275 10.201 1.00 0.00 C ATOM 561 SD MET A 38 -1.375 -7.914 11.373 1.00 0.00 S ATOM 562 CE MET A 38 -2.955 -7.228 10.881 1.00 0.00 C ATOM 0 H MET A 38 0.712 -8.794 6.754 1.00 0.00 H new ATOM 0 HA MET A 38 1.195 -10.323 9.131 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.260 -8.072 9.223 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.082 -8.537 8.197 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.208 -9.601 9.891 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.742 -10.122 10.697 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.520 -6.944 11.768 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.792 -6.349 10.258 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.516 -7.974 10.317 1.00 0.00 H new ATOM 572 N ILE A 39 -1.401 -11.137 7.239 1.00 0.00 N ATOM 573 CA ILE A 39 -2.316 -12.225 6.918 1.00 0.00 C ATOM 574 C ILE A 39 -1.553 -13.500 6.573 1.00 0.00 C ATOM 575 O ILE A 39 -1.920 -14.591 7.009 1.00 0.00 O ATOM 576 CB ILE A 39 -3.237 -11.857 5.740 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.050 -10.604 6.072 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.160 -13.020 5.406 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.708 -9.973 4.864 1.00 0.00 C ATOM 0 H ILE A 39 -1.546 -10.288 6.692 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.926 -12.397 7.805 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.619 -11.646 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.818 -10.862 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.396 -9.871 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.805 -12.745 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.564 -13.891 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.773 -13.259 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.267 -9.090 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.944 -9.684 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.388 -10.690 4.404 1.00 0.00 H new ATOM 591 N GLU A 40 -0.490 -13.353 5.789 1.00 0.00 N ATOM 592 CA GLU A 40 0.325 -14.494 5.388 1.00 0.00 C ATOM 593 C GLU A 40 1.058 -15.089 6.587 1.00 0.00 C ATOM 594 O GLU A 40 1.253 -16.301 6.670 1.00 0.00 O ATOM 595 CB GLU A 40 1.334 -14.076 4.316 1.00 0.00 C ATOM 596 CG GLU A 40 0.706 -13.815 2.957 1.00 0.00 C ATOM 597 CD GLU A 40 1.053 -14.883 1.939 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.172 -14.834 1.386 1.00 0.00 O ATOM 599 OE2 GLU A 40 0.207 -15.768 1.695 1.00 0.00 O ATOM 0 H GLU A 40 -0.173 -12.457 5.419 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.339 -15.255 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.851 -13.175 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.088 -14.857 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.377 -13.761 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.038 -12.845 2.588 1.00 0.00 H new ATOM 606 N SER A 41 1.461 -14.226 7.514 1.00 0.00 N ATOM 607 CA SER A 41 2.176 -14.664 8.707 1.00 0.00 C ATOM 608 C SER A 41 1.224 -15.324 9.699 1.00 0.00 C ATOM 609 O SER A 41 1.641 -16.117 10.543 1.00 0.00 O ATOM 610 CB SER A 41 2.880 -13.478 9.370 1.00 0.00 C ATOM 611 OG SER A 41 3.777 -13.915 10.376 1.00 0.00 O ATOM 0 H SER A 41 1.305 -13.219 7.462 1.00 0.00 H new ATOM 0 HA SER A 41 2.923 -15.398 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.423 -12.906 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.139 -12.808 9.805 1.00 0.00 H new ATOM 0 HG SER A 41 4.215 -13.139 10.783 1.00 0.00 H new ATOM 617 N ARG A 42 -0.058 -14.991 9.591 1.00 0.00 N ATOM 618 CA ARG A 42 -1.071 -15.550 10.478 1.00 0.00 C ATOM 619 C ARG A 42 -1.532 -16.918 9.984 1.00 0.00 C ATOM 620 O ARG A 42 -1.557 -17.886 10.744 1.00 0.00 O ATOM 621 CB ARG A 42 -2.268 -14.603 10.581 1.00 0.00 C ATOM 622 CG ARG A 42 -1.907 -13.219 11.095 1.00 0.00 C ATOM 623 CD ARG A 42 -2.212 -13.078 12.578 1.00 0.00 C ATOM 624 NE ARG A 42 -1.335 -12.108 13.228 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.033 -12.300 13.410 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.539 -13.421 12.993 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.699 -11.370 14.009 1.00 0.00 N ATOM 0 H ARG A 42 -0.420 -14.336 8.898 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.626 -15.671 11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.730 -14.507 9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.014 -15.044 11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.848 -13.030 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.461 -12.466 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.250 -12.771 12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.103 -14.048 13.064 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.745 -11.235 13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.021 -14.138 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.539 -13.566 13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.262 -10.506 14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.698 -11.519 14.148 1.00 0.00 H new ATOM 641 N GLN A 43 -1.895 -16.989 8.708 1.00 0.00 N ATOM 642 CA GLN A 43 -2.356 -18.238 8.114 1.00 0.00 C ATOM 643 C GLN A 43 -1.362 -19.365 8.375 1.00 0.00 C ATOM 644 O GLN A 43 -1.739 -20.452 8.813 1.00 0.00 O ATOM 645 CB GLN A 43 -2.565 -18.065 6.608 1.00 0.00 C ATOM 646 CG GLN A 43 -4.000 -18.293 6.163 1.00 0.00 C ATOM 647 CD GLN A 43 -4.124 -19.406 5.141 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.834 -20.567 5.433 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.557 -19.058 3.935 1.00 0.00 N ATOM 0 H GLN A 43 -1.879 -16.197 8.066 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.306 -18.502 8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.260 -17.059 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.914 -18.760 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.612 -18.533 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.396 -17.370 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.786 -18.084 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.661 -19.765 3.207 1.00 0.00 H new ATOM 658 N LYS A 44 -0.089 -19.098 8.103 1.00 0.00 N ATOM 659 CA LYS A 44 0.962 -20.088 8.310 1.00 0.00 C ATOM 660 C LYS A 44 0.971 -20.578 9.754 1.00 0.00 C ATOM 661 O LYS A 44 1.427 -21.686 10.041 1.00 0.00 O ATOM 662 CB LYS A 44 2.327 -19.496 7.951 1.00 0.00 C ATOM 663 CG LYS A 44 2.834 -18.482 8.962 1.00 0.00 C ATOM 664 CD LYS A 44 3.938 -19.064 9.830 1.00 0.00 C ATOM 665 CE LYS A 44 5.290 -18.987 9.137 1.00 0.00 C ATOM 666 NZ LYS A 44 6.401 -19.382 10.046 1.00 0.00 N ATOM 0 H LYS A 44 0.240 -18.204 7.739 1.00 0.00 H new ATOM 0 HA LYS A 44 0.760 -20.938 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.053 -20.304 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.261 -19.020 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.207 -17.601 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.009 -18.153 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.981 -18.524 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.707 -20.103 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.288 -19.637 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.457 -17.971 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.306 -19.317 9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.419 -18.746 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.255 -20.360 10.368 1.00 0.00 H new ATOM 680 N ARG A 45 0.465 -19.748 10.659 1.00 0.00 N ATOM 681 CA ARG A 45 0.416 -20.097 12.074 1.00 0.00 C ATOM 682 C ARG A 45 -1.001 -20.483 12.489 1.00 0.00 C ATOM 683 O ARG A 45 -1.365 -20.384 13.662 1.00 0.00 O ATOM 684 CB ARG A 45 0.908 -18.927 12.928 1.00 0.00 C ATOM 685 CG ARG A 45 2.414 -18.726 12.874 1.00 0.00 C ATOM 686 CD ARG A 45 3.005 -18.571 14.267 1.00 0.00 C ATOM 687 NE ARG A 45 4.364 -18.039 14.228 1.00 0.00 N ATOM 688 CZ ARG A 45 5.207 -18.101 15.253 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.832 -18.669 16.391 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.428 -17.594 15.141 1.00 0.00 N ATOM 0 H ARG A 45 0.083 -18.828 10.438 1.00 0.00 H new ATOM 0 HA ARG A 45 1.070 -20.954 12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.416 -18.013 12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.609 -19.092 13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.878 -19.576 12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.643 -17.841 12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.373 -17.908 14.857 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.009 -19.538 14.769 1.00 0.00 H new ATOM 0 HE ARG A 45 4.684 -17.596 13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.894 -19.060 16.481 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.481 -18.715 17.176 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.720 -17.156 14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.074 -17.642 15.929 1.00 0.00 H new ATOM 704 N LYS A 46 -1.797 -20.923 11.521 1.00 0.00 N ATOM 705 CA LYS A 46 -3.174 -21.324 11.784 1.00 0.00 C ATOM 706 C LYS A 46 -3.924 -20.232 12.540 1.00 0.00 C ATOM 707 O LYS A 46 -4.837 -20.515 13.316 1.00 0.00 O ATOM 708 CB LYS A 46 -3.202 -22.627 12.588 1.00 0.00 C ATOM 709 CG LYS A 46 -4.082 -23.701 11.974 1.00 0.00 C ATOM 710 CD LYS A 46 -3.569 -25.094 12.296 1.00 0.00 C ATOM 711 CE LYS A 46 -2.832 -25.704 11.113 1.00 0.00 C ATOM 712 NZ LYS A 46 -1.584 -24.958 10.792 1.00 0.00 N ATOM 0 H LYS A 46 -1.512 -21.011 10.546 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.669 -21.484 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.186 -23.010 12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.554 -22.414 13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.101 -23.593 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.120 -23.567 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.902 -25.047 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.405 -25.735 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.587 -26.743 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.486 -25.709 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.094 -25.425 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.822 -23.982 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.963 -24.945 11.626 1.00 0.00 H new ATOM 726 N LYS A 47 -3.534 -18.984 12.307 1.00 0.00 N ATOM 727 CA LYS A 47 -4.172 -17.848 12.964 1.00 0.00 C ATOM 728 C LYS A 47 -5.107 -17.120 12.004 1.00 0.00 C ATOM 729 O LYS A 47 -5.344 -17.576 10.885 1.00 0.00 O ATOM 730 CB LYS A 47 -3.112 -16.879 13.494 1.00 0.00 C ATOM 731 CG LYS A 47 -3.158 -16.692 15.000 1.00 0.00 C ATOM 732 CD LYS A 47 -2.671 -15.312 15.407 1.00 0.00 C ATOM 733 CE LYS A 47 -1.152 -15.233 15.402 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.597 -15.149 16.782 1.00 0.00 N ATOM 0 H LYS A 47 -2.779 -18.733 11.668 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.761 -18.226 13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.125 -17.244 13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.244 -15.910 13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.178 -16.838 15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.542 -17.452 15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.077 -14.566 14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.046 -15.072 16.402 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.744 -16.110 14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.835 -14.361 14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.441 -15.097 16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.966 -14.299 17.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.878 -15.993 17.321 1.00 0.00 H new ATOM 748 N LYS A 48 -5.636 -15.984 12.448 1.00 0.00 N ATOM 749 CA LYS A 48 -6.543 -15.190 11.628 1.00 0.00 C ATOM 750 C LYS A 48 -6.156 -13.715 11.659 1.00 0.00 C ATOM 751 O LYS A 48 -5.515 -13.253 12.602 1.00 0.00 O ATOM 752 CB LYS A 48 -7.984 -15.361 12.114 1.00 0.00 C ATOM 753 CG LYS A 48 -8.285 -14.609 13.400 1.00 0.00 C ATOM 754 CD LYS A 48 -9.115 -15.450 14.355 1.00 0.00 C ATOM 755 CE LYS A 48 -8.283 -16.546 15.001 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.058 -17.806 15.168 1.00 0.00 N ATOM 0 H LYS A 48 -5.452 -15.593 13.372 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.468 -15.545 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.665 -15.018 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.183 -16.422 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.351 -14.323 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.818 -13.687 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.540 -14.811 15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.951 -15.896 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.401 -16.740 14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.928 -16.206 15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.455 -18.528 15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.886 -17.627 15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.375 -18.144 14.237 1.00 0.00 H new ATOM 770 N ALA A 49 -6.550 -12.982 10.623 1.00 0.00 N ATOM 771 CA ALA A 49 -6.247 -11.559 10.535 1.00 0.00 C ATOM 772 C ALA A 49 -7.264 -10.732 11.314 1.00 0.00 C ATOM 773 O ALA A 49 -8.461 -10.772 11.028 1.00 0.00 O ATOM 774 CB ALA A 49 -6.208 -11.117 9.079 1.00 0.00 C ATOM 0 H ALA A 49 -7.080 -13.350 9.833 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.266 -11.393 10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.981 -10.052 9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.438 -11.678 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.177 -11.304 8.616 1.00 0.00 H new ATOM 780 N TYR A 50 -6.780 -9.984 12.300 1.00 0.00 N ATOM 781 CA TYR A 50 -7.648 -9.150 13.122 1.00 0.00 C ATOM 782 C TYR A 50 -7.199 -7.692 13.082 1.00 0.00 C ATOM 783 O TYR A 50 -6.034 -7.396 12.816 1.00 0.00 O ATOM 784 CB TYR A 50 -7.655 -9.653 14.566 1.00 0.00 C ATOM 785 CG TYR A 50 -6.279 -9.983 15.100 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.744 -11.257 14.958 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.513 -9.019 15.744 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.488 -11.563 15.445 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.255 -9.315 16.232 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.747 -10.588 16.081 1.00 0.00 C ATOM 791 OH TYR A 50 -2.495 -10.888 16.565 1.00 0.00 O ATOM 0 H TYR A 50 -5.792 -9.939 12.549 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.658 -9.212 12.718 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.111 -8.895 15.203 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.283 -10.542 14.629 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.320 -12.022 14.458 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.908 -8.021 15.865 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.088 -12.560 15.329 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.672 -8.553 16.729 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.107 -10.092 16.984 1.00 0.00 H new ATOM 801 N CYS A 51 -8.133 -6.785 13.350 1.00 0.00 N ATOM 802 CA CYS A 51 -7.836 -5.358 13.345 1.00 0.00 C ATOM 803 C CYS A 51 -6.616 -5.053 14.209 1.00 0.00 C ATOM 804 O CYS A 51 -6.683 -5.036 15.439 1.00 0.00 O ATOM 805 CB CYS A 51 -9.043 -4.563 13.849 1.00 0.00 C ATOM 806 SG CYS A 51 -10.017 -3.773 12.528 1.00 0.00 S ATOM 0 H CYS A 51 -9.102 -7.013 13.573 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.616 -5.062 12.319 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.693 -5.230 14.416 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.696 -3.794 14.539 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.226 -3.091 11.754 1.00 0.00 H new ATOM 811 N PRO A 52 -5.473 -4.806 13.553 1.00 0.00 N ATOM 812 CA PRO A 52 -4.216 -4.496 14.240 1.00 0.00 C ATOM 813 C PRO A 52 -4.243 -3.126 14.908 1.00 0.00 C ATOM 814 O PRO A 52 -3.392 -2.815 15.741 1.00 0.00 O ATOM 815 CB PRO A 52 -3.180 -4.522 13.114 1.00 0.00 C ATOM 816 CG PRO A 52 -3.954 -4.214 11.879 1.00 0.00 C ATOM 817 CD PRO A 52 -5.320 -4.809 12.088 1.00 0.00 C ATOM 0 HA PRO A 52 -4.008 -5.200 15.045 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.394 -3.786 13.282 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.695 -5.496 13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.018 -3.138 11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.472 -4.641 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.095 -4.217 11.602 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.386 -5.817 11.679 1.00 0.00 H new ATOM 825 N GLN A 53 -5.226 -2.311 14.538 1.00 0.00 N ATOM 826 CA GLN A 53 -5.362 -0.974 15.102 1.00 0.00 C ATOM 827 C GLN A 53 -5.653 -1.041 16.598 1.00 0.00 C ATOM 828 O GLN A 53 -6.775 -1.337 17.009 1.00 0.00 O ATOM 829 CB GLN A 53 -6.476 -0.207 14.388 1.00 0.00 C ATOM 830 CG GLN A 53 -6.574 1.252 14.803 1.00 0.00 C ATOM 831 CD GLN A 53 -5.217 1.917 14.925 1.00 0.00 C ATOM 832 OE1 GLN A 53 -4.869 2.456 15.976 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.442 1.881 13.848 1.00 0.00 N ATOM 0 H GLN A 53 -5.939 -2.554 13.850 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.418 -0.448 14.957 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.310 -0.259 13.312 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.429 -0.697 14.588 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.175 1.794 14.073 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.095 1.320 15.758 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.771 1.423 12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.517 2.311 13.870 1.00 0.00 H new ATOM 842 N ILE A 54 -4.636 -0.764 17.406 1.00 0.00 N ATOM 843 CA ILE A 54 -4.783 -0.793 18.856 1.00 0.00 C ATOM 844 C ILE A 54 -5.976 0.046 19.304 1.00 0.00 C ATOM 845 O ILE A 54 -5.914 1.274 19.316 1.00 0.00 O ATOM 846 CB ILE A 54 -3.515 -0.278 19.562 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.303 -1.121 19.158 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.702 -0.299 21.071 1.00 0.00 C ATOM 849 CD1 ILE A 54 -0.986 -0.554 19.639 1.00 0.00 C ATOM 0 H ILE A 54 -3.701 -0.517 17.082 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.947 -1.834 19.135 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.338 0.752 19.253 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.423 -2.129 19.556 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.277 -1.208 18.072 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.797 0.068 21.555 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.543 0.339 21.342 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.901 -1.319 21.399 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.171 -1.202 19.317 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.844 0.442 19.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.992 -0.493 20.727 1.00 0.00 H new ATOM 861 N GLY A 55 -7.061 -0.628 19.673 1.00 0.00 N ATOM 862 CA GLY A 55 -8.252 0.071 20.119 1.00 0.00 C ATOM 863 C GLY A 55 -9.522 -0.522 19.541 1.00 0.00 C ATOM 864 O GLY A 55 -10.611 -0.322 20.081 1.00 0.00 O ATOM 0 H GLY A 55 -7.136 -1.645 19.671 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.302 0.039 21.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.182 1.121 19.834 1.00 0.00 H new ATOM 868 N CYS A 56 -9.385 -1.251 18.439 1.00 0.00 N ATOM 869 CA CYS A 56 -10.530 -1.873 17.785 1.00 0.00 C ATOM 870 C CYS A 56 -10.868 -3.211 18.437 1.00 0.00 C ATOM 871 O CYS A 56 -10.008 -3.857 19.036 1.00 0.00 O ATOM 872 CB CYS A 56 -10.245 -2.077 16.296 1.00 0.00 C ATOM 873 SG CYS A 56 -11.730 -2.037 15.242 1.00 0.00 S ATOM 0 H CYS A 56 -8.491 -1.426 17.980 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.386 -1.207 17.896 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.553 -1.304 15.960 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.743 -3.035 16.161 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.470 -2.610 14.104 1.00 0.00 H new ATOM 878 N SER A 57 -12.127 -3.621 18.316 1.00 0.00 N ATOM 879 CA SER A 57 -12.580 -4.879 18.896 1.00 0.00 C ATOM 880 C SER A 57 -12.730 -5.951 17.820 1.00 0.00 C ATOM 881 O SER A 57 -12.651 -7.147 18.103 1.00 0.00 O ATOM 882 CB SER A 57 -13.912 -4.680 19.623 1.00 0.00 C ATOM 883 OG SER A 57 -14.037 -5.577 20.713 1.00 0.00 O ATOM 0 H SER A 57 -12.851 -3.100 17.821 1.00 0.00 H new ATOM 0 HA SER A 57 -11.829 -5.211 19.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.984 -3.654 19.983 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.736 -4.832 18.926 1.00 0.00 H new ATOM 0 HG SER A 57 -14.895 -5.429 21.162 1.00 0.00 H new ATOM 889 N HIS A 58 -12.947 -5.513 16.584 1.00 0.00 N ATOM 890 CA HIS A 58 -13.107 -6.433 15.464 1.00 0.00 C ATOM 891 C HIS A 58 -11.928 -7.397 15.380 1.00 0.00 C ATOM 892 O HIS A 58 -10.829 -7.094 15.845 1.00 0.00 O ATOM 893 CB HIS A 58 -13.240 -5.657 14.154 1.00 0.00 C ATOM 894 CG HIS A 58 -13.812 -6.468 13.032 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.048 -7.077 13.098 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.311 -6.768 11.811 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.281 -7.717 11.966 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.243 -7.546 11.168 1.00 0.00 N ATOM 0 H HIS A 58 -13.016 -4.527 16.333 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.016 -7.012 15.629 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.873 -4.785 14.320 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.258 -5.287 13.860 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.683 -7.039 13.896 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.356 -6.454 11.416 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.170 -8.284 11.733 1.00 0.00 H new ATOM 906 N THR A 59 -12.163 -8.562 14.784 1.00 0.00 N ATOM 907 CA THR A 59 -11.122 -9.572 14.641 1.00 0.00 C ATOM 908 C THR A 59 -11.398 -10.481 13.449 1.00 0.00 C ATOM 909 O THR A 59 -11.142 -11.684 13.501 1.00 0.00 O ATOM 910 CB THR A 59 -10.997 -10.434 15.912 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.298 -10.796 16.388 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.242 -9.687 17.001 1.00 0.00 C ATOM 0 H THR A 59 -13.066 -8.829 14.392 1.00 0.00 H new ATOM 0 HA THR A 59 -10.185 -9.039 14.479 1.00 0.00 H new ATOM 0 HB THR A 59 -10.439 -11.336 15.659 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.210 -11.345 17.195 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.167 -10.316 17.888 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.242 -9.439 16.646 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.776 -8.770 17.250 1.00 0.00 H new ATOM 920 N ASP A 60 -11.920 -9.898 12.375 1.00 0.00 N ATOM 921 CA ASP A 60 -12.228 -10.656 11.168 1.00 0.00 C ATOM 922 C ASP A 60 -11.825 -9.878 9.920 1.00 0.00 C ATOM 923 O ASP A 60 -12.547 -8.986 9.473 1.00 0.00 O ATOM 924 CB ASP A 60 -13.720 -10.989 11.117 1.00 0.00 C ATOM 925 CG ASP A 60 -14.041 -12.051 10.083 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.864 -13.249 10.387 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.470 -11.683 8.969 1.00 0.00 O ATOM 0 H ASP A 60 -12.139 -8.903 12.316 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.657 -11.584 11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.047 -11.331 12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.284 -10.084 10.891 1.00 0.00 H new ATOM 932 N ILE A 61 -10.669 -10.220 9.363 1.00 0.00 N ATOM 933 CA ILE A 61 -10.170 -9.553 8.167 1.00 0.00 C ATOM 934 C ILE A 61 -9.834 -10.562 7.074 1.00 0.00 C ATOM 935 O ILE A 61 -9.183 -11.576 7.331 1.00 0.00 O ATOM 936 CB ILE A 61 -8.919 -8.709 8.473 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.178 -7.787 9.667 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.514 -7.899 7.250 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.955 -7.017 10.112 1.00 0.00 C ATOM 0 H ILE A 61 -10.060 -10.956 9.721 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.966 -8.895 7.818 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.099 -9.381 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.967 -7.081 9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.546 -8.382 10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.628 -7.308 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.293 -8.574 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.330 -7.234 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.212 -6.385 10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.171 -7.716 10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.598 -6.395 9.291 1.00 0.00 H new ATOM 951 N ARG A 62 -10.279 -10.277 5.855 1.00 0.00 N ATOM 952 CA ARG A 62 -10.025 -11.160 4.723 1.00 0.00 C ATOM 953 C ARG A 62 -9.324 -10.409 3.595 1.00 0.00 C ATOM 954 O ARG A 62 -9.630 -9.247 3.323 1.00 0.00 O ATOM 955 CB ARG A 62 -11.336 -11.760 4.213 1.00 0.00 C ATOM 956 CG ARG A 62 -11.341 -13.280 4.187 1.00 0.00 C ATOM 957 CD ARG A 62 -12.224 -13.816 3.071 1.00 0.00 C ATOM 958 NE ARG A 62 -11.530 -14.806 2.252 1.00 0.00 N ATOM 959 CZ ARG A 62 -11.975 -15.226 1.073 1.00 0.00 C ATOM 960 NH1 ARG A 62 -13.106 -14.744 0.577 1.00 0.00 N ATOM 961 NH2 ARG A 62 -11.287 -16.130 0.387 1.00 0.00 N ATOM 0 H ARG A 62 -10.817 -9.441 5.626 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.372 -11.965 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.154 -11.413 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.529 -11.387 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.323 -13.646 4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.694 -13.660 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.119 -14.265 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.553 -12.990 2.440 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.656 -15.196 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.637 -14.049 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.445 -15.069 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.416 -16.503 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.629 -16.452 -0.518 1.00 0.00 H new ATOM 975 N LYS A 63 -8.381 -11.079 2.942 1.00 0.00 N ATOM 976 CA LYS A 63 -7.635 -10.476 1.843 1.00 0.00 C ATOM 977 C LYS A 63 -8.580 -9.984 0.751 1.00 0.00 C ATOM 978 O LYS A 63 -8.250 -9.066 -0.001 1.00 0.00 O ATOM 979 CB LYS A 63 -6.644 -11.485 1.258 1.00 0.00 C ATOM 980 CG LYS A 63 -5.413 -10.842 0.644 1.00 0.00 C ATOM 981 CD LYS A 63 -4.586 -11.852 -0.134 1.00 0.00 C ATOM 982 CE LYS A 63 -3.762 -12.732 0.794 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.364 -14.009 0.139 1.00 0.00 N ATOM 0 H LYS A 63 -8.115 -12.040 3.155 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.084 -9.621 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.331 -12.172 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.150 -12.080 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.717 -10.032 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.802 -10.399 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.245 -12.476 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.924 -11.328 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.869 -12.192 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.337 -12.949 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.804 -14.580 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.216 -14.537 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.794 -13.803 -0.706 1.00 0.00 H new ATOM 997 N SER A 64 -9.756 -10.598 0.670 1.00 0.00 N ATOM 998 CA SER A 64 -10.747 -10.223 -0.332 1.00 0.00 C ATOM 999 C SER A 64 -11.427 -8.910 0.042 1.00 0.00 C ATOM 1000 O SER A 64 -11.961 -8.208 -0.817 1.00 0.00 O ATOM 1001 CB SER A 64 -11.793 -11.328 -0.483 1.00 0.00 C ATOM 1002 OG SER A 64 -11.586 -12.068 -1.674 1.00 0.00 O ATOM 0 H SER A 64 -10.046 -11.357 1.286 1.00 0.00 H new ATOM 0 HA SER A 64 -10.233 -10.087 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.747 -11.997 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.791 -10.889 -0.493 1.00 0.00 H new ATOM 0 HG SER A 64 -12.267 -12.769 -1.746 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.405 -8.585 1.330 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.018 -7.356 1.820 1.00 0.00 C ATOM 1010 C ASP A 65 -10.983 -6.241 1.937 1.00 0.00 C ATOM 1011 O ASP A 65 -11.137 -5.319 2.739 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.682 -7.598 3.177 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.986 -8.361 3.055 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -13.978 -9.461 2.464 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -15.015 -7.858 3.553 1.00 0.00 O ATOM 0 H ASP A 65 -10.969 -9.156 2.054 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.778 -7.047 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.998 -8.153 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.869 -6.640 3.663 1.00 0.00 H new ATOM 1020 N LEU A 66 -9.929 -6.333 1.134 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.868 -5.332 1.148 1.00 0.00 C ATOM 1022 C LEU A 66 -8.864 -4.525 -0.146 1.00 0.00 C ATOM 1023 O LEU A 66 -8.732 -5.081 -1.237 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.509 -6.005 1.346 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.270 -6.644 2.715 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.896 -7.295 2.768 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.413 -5.607 3.820 1.00 0.00 C ATOM 0 H LEU A 66 -9.786 -7.090 0.465 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.055 -4.651 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.392 -6.774 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.730 -5.263 1.172 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.022 -7.417 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.744 -7.744 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.829 -8.067 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.129 -6.541 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.240 -6.079 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.684 -4.811 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.418 -5.187 3.797 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.007 -3.210 -0.017 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.017 -2.326 -1.176 1.00 0.00 C ATOM 1041 C ILE A 67 -8.151 -1.094 -0.934 1.00 0.00 C ATOM 1042 O ILE A 67 -7.848 -0.751 0.208 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.446 -1.874 -1.528 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.171 -1.378 -0.275 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.217 -3.015 -2.176 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.582 -0.904 -0.542 1.00 0.00 C ATOM 0 H ILE A 67 -9.117 -2.734 0.878 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.610 -2.896 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.386 -1.051 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.199 -2.182 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.599 -0.562 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.226 -2.681 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.708 -3.326 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.271 -3.856 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -13.035 -0.567 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.560 -0.079 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.169 -1.724 -0.955 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.759 -0.431 -2.018 1.00 0.00 N ATOM 1059 CA GLN A 68 -6.930 0.765 -1.923 1.00 0.00 C ATOM 1060 C GLN A 68 -7.788 2.006 -1.701 1.00 0.00 C ATOM 1061 O GLN A 68 -8.718 2.274 -2.462 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.090 0.931 -3.190 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.415 -0.353 -3.645 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.530 -0.149 -4.858 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.011 -0.101 -5.991 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.228 -0.028 -4.628 1.00 0.00 N ATOM 0 H GLN A 68 -8.002 -0.702 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.265 0.648 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.728 1.301 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.328 1.690 -3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.817 -0.754 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.177 -1.097 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.872 -0.074 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.583 0.111 -5.406 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.469 2.760 -0.654 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.211 3.974 -0.333 1.00 0.00 C ATOM 1077 C ASP A 69 -7.649 5.171 -1.094 1.00 0.00 C ATOM 1078 O ASP A 69 -6.651 5.765 -0.686 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.163 4.243 1.172 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.145 5.314 1.601 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.259 6.333 0.888 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.800 5.135 2.649 1.00 0.00 O ATOM 0 H ASP A 69 -6.702 2.552 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.248 3.828 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.379 3.320 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.154 4.546 1.452 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.297 5.519 -2.201 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.861 6.644 -3.019 1.00 0.00 C ATOM 1089 C GLU A 70 -7.813 7.929 -2.197 1.00 0.00 C ATOM 1090 O GLU A 70 -6.849 8.691 -2.272 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.797 6.826 -4.216 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.081 6.811 -5.556 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.016 6.514 -6.713 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.697 7.451 -7.180 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.066 5.346 -7.151 1.00 0.00 O ATOM 0 H GLU A 70 -9.125 5.038 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.856 6.428 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.546 6.034 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.330 7.771 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.602 7.777 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.289 6.063 -5.532 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.860 8.162 -1.412 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.937 9.352 -0.575 1.00 0.00 C ATOM 1104 C ALA A 71 -7.691 9.495 0.293 1.00 0.00 C ATOM 1105 O ALA A 71 -7.297 10.605 0.653 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.185 9.306 0.294 1.00 0.00 C ATOM 0 H ALA A 71 -9.666 7.542 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.994 10.222 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.230 10.201 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.069 9.260 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.151 8.423 0.933 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.076 8.366 0.626 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.874 8.365 1.453 1.00 0.00 C ATOM 1114 C LEU A 72 -4.618 8.393 0.588 1.00 0.00 C ATOM 1115 O LEU A 72 -3.656 9.096 0.897 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.855 7.132 2.359 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.357 7.356 3.787 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.219 8.388 4.497 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.345 6.045 4.559 1.00 0.00 C ATOM 0 H LEU A 72 -7.389 7.440 0.336 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.888 9.263 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.865 6.726 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.228 6.372 1.892 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.336 7.736 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.850 8.534 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.176 9.333 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.250 8.038 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.988 6.223 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.354 5.636 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.684 5.336 4.061 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.636 7.626 -0.497 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.499 7.565 -1.408 1.00 0.00 C ATOM 1133 C ARG A 73 -3.077 8.964 -1.847 1.00 0.00 C ATOM 1134 O ARG A 73 -1.895 9.306 -1.815 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.844 6.716 -2.633 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.493 5.246 -2.475 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.665 4.742 -3.647 1.00 0.00 C ATOM 1138 NE ARG A 73 -1.235 4.755 -3.352 1.00 0.00 N ATOM 1139 CZ ARG A 73 -0.299 4.444 -4.242 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -0.640 4.099 -5.476 1.00 0.00 N ATOM 1141 NH2 ARG A 73 0.983 4.479 -3.899 1.00 0.00 N ATOM 0 H ARG A 73 -5.425 7.038 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.666 7.103 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.911 6.806 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.318 7.115 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.939 5.101 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.408 4.659 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.974 3.728 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.860 5.362 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.939 5.017 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.624 4.072 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.081 3.861 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.250 4.745 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.701 4.240 -4.583 1.00 0.00 H new ATOM 1155 N ARG A 74 -4.053 9.768 -2.258 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.783 11.129 -2.705 1.00 0.00 C ATOM 1157 C ARG A 74 -3.379 12.017 -1.532 1.00 0.00 C ATOM 1158 O ARG A 74 -2.601 12.957 -1.691 1.00 0.00 O ATOM 1159 CB ARG A 74 -5.014 11.713 -3.401 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.242 11.162 -4.799 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.715 11.187 -5.174 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.923 11.640 -6.547 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.908 12.917 -6.910 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -6.695 13.864 -6.006 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.105 13.250 -8.180 1.00 0.00 N ATOM 0 H ARG A 74 -5.037 9.500 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.955 11.095 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.895 11.511 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.908 12.796 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.672 11.748 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.869 10.139 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.137 10.189 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.252 11.844 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.089 10.936 -7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.542 13.612 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.684 14.844 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.268 12.524 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.093 14.231 -8.458 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.915 11.713 -0.355 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.610 12.482 0.845 1.00 0.00 C ATOM 1181 C ALA A 75 -2.116 12.453 1.151 1.00 0.00 C ATOM 1182 O ALA A 75 -1.467 13.496 1.220 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.404 11.951 2.029 1.00 0.00 C ATOM 0 H ALA A 75 -4.563 10.939 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.897 13.518 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.166 12.535 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.470 12.031 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.146 10.906 2.201 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.579 11.251 1.335 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.161 11.087 1.633 1.00 0.00 C ATOM 1191 C ILE A 76 0.704 11.812 0.607 1.00 0.00 C ATOM 1192 O ILE A 76 1.759 12.349 0.941 1.00 0.00 O ATOM 1193 CB ILE A 76 0.238 9.600 1.666 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.591 8.850 2.711 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.724 9.457 1.959 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.583 7.349 2.524 1.00 0.00 C ATOM 0 H ILE A 76 -2.104 10.378 1.283 1.00 0.00 H new ATOM 0 HA ILE A 76 0.007 11.522 2.618 1.00 0.00 H new ATOM 0 HB ILE A 76 0.037 9.163 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.209 9.086 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.620 9.208 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.991 8.400 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.298 9.962 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.949 9.907 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.190 6.882 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.993 7.102 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.440 6.979 2.593 1.00 0.00 H new