USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 788 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: B 30 SER OG : rot -154:sc= -3.76! USER MOD Set 1.2: B 36 ASN : amide:sc= -1.14 K(o=-4.9,f=-5.8) USER MOD Set 2.1: A 30 SER OG : rot -147:sc= -3.97! USER MOD Set 2.2: A 36 ASN : amide:sc= -1.82 X(o=-5.8,f=-5.8) USER MOD Single : A 8 GLN : amide:sc= -0.149 K(o=-0.15,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 128:sc= 1.05 USER MOD Single : A 13 TYR OH : rot -6:sc= -10.6! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -0.572 (180deg=-1.31!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -15.6! C(o=-16!,f=-17!) USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 GLN : amide:sc= -0.135 K(o=-0.14,f=-3!) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 128:sc= 1.06 USER MOD Single : B 13 TYR OH : rot -14:sc= -10.5! USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 124:sc= -0.59 (180deg=-1.37!) USER MOD Single : B 18 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 HIS : no HE2:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : B 37 THR OG1 : rot 107:sc= 1.21 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 7 3.100 20.121 -1.241 1.00 0.00 N ATOM 105 CA CYS A 7 3.577 18.717 -1.086 1.00 0.00 C ATOM 106 C CYS A 7 3.800 18.097 -2.467 1.00 0.00 C ATOM 107 O CYS A 7 3.943 18.792 -3.453 1.00 0.00 O ATOM 108 CB CYS A 7 2.539 17.903 -0.305 1.00 0.00 C ATOM 109 SG CYS A 7 2.375 18.564 1.377 1.00 0.00 S ATOM 0 HA CYS A 7 4.518 18.711 -0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.576 17.940 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.839 16.856 -0.266 1.00 0.00 H new ATOM 114 N GLN A 8 3.850 16.795 -2.547 1.00 0.00 N ATOM 115 CA GLN A 8 4.089 16.137 -3.862 1.00 0.00 C ATOM 116 C GLN A 8 2.781 15.997 -4.645 1.00 0.00 C ATOM 117 O GLN A 8 2.560 16.679 -5.626 1.00 0.00 O ATOM 118 CB GLN A 8 4.687 14.758 -3.634 1.00 0.00 C ATOM 119 CG GLN A 8 6.029 14.656 -4.360 1.00 0.00 C ATOM 120 CD GLN A 8 5.817 14.097 -5.756 1.00 0.00 C ATOM 121 OE1 GLN A 8 4.707 13.791 -6.146 1.00 0.00 O ATOM 122 NE2 GLN A 8 6.847 13.952 -6.532 1.00 0.00 N ATOM 0 H GLN A 8 3.736 16.159 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 8 4.778 16.754 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.825 14.582 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.005 13.990 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.497 15.639 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.708 14.013 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.776 14.210 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.727 13.580 -7.474 1.00 0.00 H new ATOM 131 N CYS A 9 1.924 15.101 -4.238 1.00 0.00 N ATOM 132 CA CYS A 9 0.646 14.904 -4.982 1.00 0.00 C ATOM 133 C CYS A 9 -0.547 15.011 -4.027 1.00 0.00 C ATOM 134 O CYS A 9 -0.509 14.536 -2.909 1.00 0.00 O ATOM 135 CB CYS A 9 0.671 13.515 -5.629 1.00 0.00 C ATOM 136 SG CYS A 9 -0.983 13.071 -6.217 1.00 0.00 S ATOM 0 H CYS A 9 2.052 14.498 -3.425 1.00 0.00 H new ATOM 0 HA CYS A 9 0.543 15.674 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.376 13.506 -6.461 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.019 12.776 -4.908 1.00 0.00 H new ATOM 141 N ILE A 10 -1.612 15.628 -4.470 1.00 0.00 N ATOM 142 CA ILE A 10 -2.816 15.764 -3.600 1.00 0.00 C ATOM 143 C ILE A 10 -4.019 15.116 -4.289 1.00 0.00 C ATOM 144 O ILE A 10 -5.003 14.781 -3.661 1.00 0.00 O ATOM 145 CB ILE A 10 -3.109 17.244 -3.346 1.00 0.00 C ATOM 146 CG1 ILE A 10 -1.801 18.040 -3.362 1.00 0.00 C ATOM 147 CG2 ILE A 10 -3.779 17.400 -1.981 1.00 0.00 C ATOM 148 CD1 ILE A 10 -2.103 19.523 -3.134 1.00 0.00 C ATOM 0 H ILE A 10 -1.699 16.043 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.629 15.267 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.770 17.620 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.129 17.671 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.292 17.904 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.989 18.454 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.712 16.836 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.115 17.022 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.172 20.090 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.759 19.887 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.594 19.650 -2.169 1.00 0.00 H new ATOM 160 N LYS A 11 -3.947 14.946 -5.575 1.00 0.00 N ATOM 161 CA LYS A 11 -5.068 14.333 -6.323 1.00 0.00 C ATOM 162 C LYS A 11 -4.816 12.829 -6.480 1.00 0.00 C ATOM 163 O LYS A 11 -3.911 12.277 -5.888 1.00 0.00 O ATOM 164 CB LYS A 11 -5.122 14.985 -7.699 1.00 0.00 C ATOM 165 CG LYS A 11 -5.854 16.322 -7.602 1.00 0.00 C ATOM 166 CD LYS A 11 -6.049 16.901 -9.004 1.00 0.00 C ATOM 167 CE LYS A 11 -4.699 17.360 -9.559 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.886 18.610 -10.348 1.00 0.00 N ATOM 0 H LYS A 11 -3.145 15.211 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.008 14.481 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.112 15.138 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.633 14.329 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.820 16.185 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.283 17.017 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.488 16.150 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.744 17.740 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.998 17.534 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.268 16.581 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.969 18.923 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.541 18.429 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.279 19.352 -9.735 1.00 0.00 H new ATOM 182 N THR A 12 -5.603 12.166 -7.287 1.00 0.00 N ATOM 183 CA THR A 12 -5.397 10.701 -7.495 1.00 0.00 C ATOM 184 C THR A 12 -4.092 10.469 -8.213 1.00 0.00 C ATOM 185 O THR A 12 -3.345 11.380 -8.504 1.00 0.00 O ATOM 186 CB THR A 12 -6.539 10.102 -8.309 1.00 0.00 C ATOM 187 OG1 THR A 12 -6.195 10.109 -9.687 1.00 0.00 O ATOM 188 CG2 THR A 12 -7.820 10.910 -8.091 1.00 0.00 C ATOM 0 H THR A 12 -6.378 12.574 -7.810 1.00 0.00 H new ATOM 0 HA THR A 12 -5.373 10.215 -6.520 1.00 0.00 H new ATOM 0 HB THR A 12 -6.710 9.076 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.314 9.210 -10.058 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.629 10.474 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.086 10.892 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.658 11.941 -8.407 1.00 0.00 H new ATOM 196 N TYR A 13 -3.817 9.242 -8.494 1.00 0.00 N ATOM 197 CA TYR A 13 -2.570 8.907 -9.186 1.00 0.00 C ATOM 198 C TYR A 13 -2.419 9.839 -10.378 1.00 0.00 C ATOM 199 O TYR A 13 -1.364 10.373 -10.657 1.00 0.00 O ATOM 200 CB TYR A 13 -2.663 7.450 -9.607 1.00 0.00 C ATOM 201 CG TYR A 13 -3.452 7.329 -10.874 1.00 0.00 C ATOM 202 CD1 TYR A 13 -2.819 7.549 -12.084 1.00 0.00 C ATOM 203 CD2 TYR A 13 -4.792 6.949 -10.841 1.00 0.00 C ATOM 204 CE1 TYR A 13 -3.502 7.382 -13.272 1.00 0.00 C ATOM 205 CE2 TYR A 13 -5.492 6.794 -12.031 1.00 0.00 C ATOM 206 CZ TYR A 13 -4.841 7.001 -13.258 1.00 0.00 C ATOM 207 OH TYR A 13 -5.506 6.821 -14.449 1.00 0.00 O ATOM 0 H TYR A 13 -4.414 8.447 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.693 9.034 -8.551 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.663 7.041 -9.752 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.136 6.865 -8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.783 7.854 -12.099 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.284 6.776 -9.895 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.997 7.547 -14.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.535 6.515 -12.012 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.927 7.093 -15.191 1.00 0.00 H new ATOM 217 N SER A 14 -3.487 10.021 -11.065 1.00 0.00 N ATOM 218 CA SER A 14 -3.507 10.897 -12.255 1.00 0.00 C ATOM 219 C SER A 14 -4.955 10.991 -12.695 1.00 0.00 C ATOM 220 O SER A 14 -5.435 12.012 -13.147 1.00 0.00 O ATOM 221 CB SER A 14 -2.678 10.261 -13.371 1.00 0.00 C ATOM 222 OG SER A 14 -2.107 11.284 -14.174 1.00 0.00 O ATOM 0 H SER A 14 -4.384 9.586 -10.848 1.00 0.00 H new ATOM 0 HA SER A 14 -3.093 11.880 -12.032 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.893 9.636 -12.945 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.306 9.612 -13.981 1.00 0.00 H new ATOM 0 HG SER A 14 -1.574 10.879 -14.889 1.00 0.00 H new ATOM 228 N LYS A 15 -5.636 9.890 -12.579 1.00 0.00 N ATOM 229 CA LYS A 15 -7.040 9.808 -12.990 1.00 0.00 C ATOM 230 C LYS A 15 -7.828 9.008 -11.939 1.00 0.00 C ATOM 231 O LYS A 15 -7.259 8.261 -11.178 1.00 0.00 O ATOM 232 CB LYS A 15 -7.012 9.070 -14.320 1.00 0.00 C ATOM 233 CG LYS A 15 -7.793 7.761 -14.233 1.00 0.00 C ATOM 234 CD LYS A 15 -7.821 7.024 -15.584 1.00 0.00 C ATOM 235 CE LYS A 15 -7.247 7.880 -16.728 1.00 0.00 C ATOM 236 NZ LYS A 15 -8.285 8.837 -17.205 1.00 0.00 N ATOM 0 H LYS A 15 -5.255 9.022 -12.203 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.517 10.784 -13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.438 9.701 -15.100 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.980 8.864 -14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.342 7.118 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.813 7.967 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.250 6.099 -15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.847 6.745 -15.822 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.368 8.424 -16.383 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.924 7.239 -17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.830 9.724 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.793 8.424 -18.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.957 9.032 -16.436 1.00 0.00 H new ATOM 250 N PRO A 16 -9.115 9.157 -11.949 1.00 0.00 N ATOM 251 CA PRO A 16 -9.986 8.429 -11.071 1.00 0.00 C ATOM 252 C PRO A 16 -10.437 7.154 -11.696 1.00 0.00 C ATOM 253 O PRO A 16 -10.520 6.996 -12.897 1.00 0.00 O ATOM 254 CB PRO A 16 -11.147 9.329 -10.823 1.00 0.00 C ATOM 255 CG PRO A 16 -11.152 10.266 -12.009 1.00 0.00 C ATOM 256 CD PRO A 16 -9.828 10.079 -12.780 1.00 0.00 C ATOM 0 HA PRO A 16 -9.478 8.156 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.079 8.767 -10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.035 9.874 -9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.002 10.053 -12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.255 11.299 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.994 9.680 -13.781 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.290 11.020 -12.897 1.00 0.00 H new ATOM 264 N PHE A 17 -10.660 6.229 -10.855 1.00 0.00 N ATOM 265 CA PHE A 17 -11.040 4.897 -11.314 1.00 0.00 C ATOM 266 C PHE A 17 -11.433 4.072 -10.102 1.00 0.00 C ATOM 267 O PHE A 17 -11.114 4.425 -8.984 1.00 0.00 O ATOM 268 CB PHE A 17 -9.790 4.304 -11.935 1.00 0.00 C ATOM 269 CG PHE A 17 -8.690 4.329 -10.897 1.00 0.00 C ATOM 270 CD1 PHE A 17 -8.153 5.551 -10.443 1.00 0.00 C ATOM 271 CD2 PHE A 17 -8.207 3.131 -10.361 1.00 0.00 C ATOM 272 CE1 PHE A 17 -7.168 5.557 -9.492 1.00 0.00 C ATOM 273 CE2 PHE A 17 -7.216 3.150 -9.410 1.00 0.00 C ATOM 274 CZ PHE A 17 -6.693 4.363 -8.971 1.00 0.00 C ATOM 0 H PHE A 17 -10.595 6.336 -9.843 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.870 4.919 -12.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.978 3.282 -12.266 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.495 4.875 -12.815 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.519 6.484 -10.846 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.614 2.188 -10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.760 6.495 -9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.842 2.222 -9.002 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.915 4.374 -8.222 1.00 0.00 H new ATOM 284 N HIS A 18 -12.076 2.959 -10.286 1.00 0.00 N ATOM 285 CA HIS A 18 -12.397 2.152 -9.129 1.00 0.00 C ATOM 286 C HIS A 18 -11.099 1.477 -8.728 1.00 0.00 C ATOM 287 O HIS A 18 -10.486 0.808 -9.536 1.00 0.00 O ATOM 288 CB HIS A 18 -13.459 1.140 -9.508 1.00 0.00 C ATOM 289 CG HIS A 18 -14.790 1.787 -9.386 1.00 0.00 C ATOM 290 ND1 HIS A 18 -15.228 2.794 -10.232 1.00 0.00 N ATOM 291 CD2 HIS A 18 -15.775 1.583 -8.497 1.00 0.00 C ATOM 292 CE1 HIS A 18 -16.457 3.152 -9.817 1.00 0.00 C ATOM 293 NE2 HIS A 18 -16.842 2.439 -8.754 1.00 0.00 N ATOM 0 H HIS A 18 -12.383 2.591 -11.187 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.794 2.738 -8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.301 0.788 -10.527 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.401 0.268 -8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.744 0.858 -7.697 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.057 3.919 -10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -17.723 2.507 -8.244 1.00 0.00 H new ATOM 301 N PRO A 19 -10.680 1.703 -7.520 1.00 0.00 N ATOM 302 CA PRO A 19 -9.419 1.158 -7.047 1.00 0.00 C ATOM 303 C PRO A 19 -9.525 -0.365 -6.921 1.00 0.00 C ATOM 304 O PRO A 19 -8.566 -1.049 -6.637 1.00 0.00 O ATOM 305 CB PRO A 19 -9.203 1.841 -5.693 1.00 0.00 C ATOM 306 CG PRO A 19 -10.595 2.319 -5.235 1.00 0.00 C ATOM 307 CD PRO A 19 -11.421 2.485 -6.522 1.00 0.00 C ATOM 0 HA PRO A 19 -8.582 1.340 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.770 1.149 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.512 2.679 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.057 1.595 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.526 3.260 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.437 2.111 -6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.500 3.532 -6.814 1.00 0.00 H new ATOM 315 N LYS A 20 -10.697 -0.894 -7.136 1.00 0.00 N ATOM 316 CA LYS A 20 -10.898 -2.358 -7.048 1.00 0.00 C ATOM 317 C LYS A 20 -9.905 -3.086 -7.952 1.00 0.00 C ATOM 318 O LYS A 20 -9.321 -4.084 -7.575 1.00 0.00 O ATOM 319 CB LYS A 20 -12.303 -2.663 -7.518 1.00 0.00 C ATOM 320 CG LYS A 20 -13.148 -3.130 -6.342 1.00 0.00 C ATOM 321 CD LYS A 20 -13.918 -4.378 -6.757 1.00 0.00 C ATOM 322 CE LYS A 20 -14.898 -4.773 -5.650 1.00 0.00 C ATOM 323 NZ LYS A 20 -16.276 -4.348 -6.027 1.00 0.00 N ATOM 0 H LYS A 20 -11.534 -0.361 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.745 -2.690 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.747 -1.775 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.280 -3.433 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.513 -3.346 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.839 -2.344 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.459 -4.191 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.225 -5.197 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.869 -5.851 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.607 -4.306 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.941 -4.617 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.298 -3.316 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.552 -4.814 -6.915 1.00 0.00 H new ATOM 337 N PHE A 21 -9.732 -2.611 -9.154 1.00 0.00 N ATOM 338 CA PHE A 21 -8.811 -3.283 -10.102 1.00 0.00 C ATOM 339 C PHE A 21 -7.351 -2.876 -9.843 1.00 0.00 C ATOM 340 O PHE A 21 -6.525 -2.954 -10.720 1.00 0.00 O ATOM 341 CB PHE A 21 -9.261 -2.889 -11.517 1.00 0.00 C ATOM 342 CG PHE A 21 -8.337 -1.916 -12.155 1.00 0.00 C ATOM 343 CD1 PHE A 21 -8.024 -0.734 -11.490 1.00 0.00 C ATOM 344 CD2 PHE A 21 -7.809 -2.188 -13.415 1.00 0.00 C ATOM 345 CE1 PHE A 21 -7.174 0.178 -12.083 1.00 0.00 C ATOM 346 CE2 PHE A 21 -6.957 -1.273 -14.011 1.00 0.00 C ATOM 347 CZ PHE A 21 -6.642 -0.093 -13.342 1.00 0.00 C ATOM 0 H PHE A 21 -10.195 -1.779 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.850 -4.365 -9.976 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.327 -3.783 -12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.262 -2.459 -11.471 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.444 -0.531 -10.516 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.062 -3.106 -13.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.923 1.097 -11.574 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.540 -1.473 -14.987 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.977 0.621 -13.805 1.00 0.00 H new ATOM 357 N ILE A 22 -7.011 -2.463 -8.659 1.00 0.00 N ATOM 358 CA ILE A 22 -5.606 -2.079 -8.406 1.00 0.00 C ATOM 359 C ILE A 22 -4.751 -3.333 -8.196 1.00 0.00 C ATOM 360 O ILE A 22 -5.196 -4.316 -7.636 1.00 0.00 O ATOM 361 CB ILE A 22 -5.545 -1.212 -7.163 1.00 0.00 C ATOM 362 CG1 ILE A 22 -6.067 -2.024 -5.985 1.00 0.00 C ATOM 363 CG2 ILE A 22 -6.394 0.044 -7.359 1.00 0.00 C ATOM 364 CD1 ILE A 22 -6.163 -1.139 -4.743 1.00 0.00 C ATOM 0 H ILE A 22 -7.642 -2.376 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.222 -1.526 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.518 -0.902 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.047 -2.438 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.404 -2.867 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.344 0.661 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.015 0.610 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.429 -0.242 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.537 -1.727 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.176 -0.746 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.845 -0.311 -4.938 1.00 0.00 H new ATOM 376 N LYS A 23 -3.521 -3.300 -8.636 1.00 0.00 N ATOM 377 CA LYS A 23 -2.625 -4.481 -8.461 1.00 0.00 C ATOM 378 C LYS A 23 -1.619 -4.183 -7.357 1.00 0.00 C ATOM 379 O LYS A 23 -1.282 -5.042 -6.571 1.00 0.00 O ATOM 380 CB LYS A 23 -1.893 -4.765 -9.774 1.00 0.00 C ATOM 381 CG LYS A 23 -0.887 -5.899 -9.571 1.00 0.00 C ATOM 382 CD LYS A 23 0.423 -5.550 -10.280 1.00 0.00 C ATOM 383 CE LYS A 23 0.231 -5.657 -11.794 1.00 0.00 C ATOM 384 NZ LYS A 23 1.253 -4.820 -12.485 1.00 0.00 N ATOM 0 H LYS A 23 -3.097 -2.503 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.214 -5.357 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.610 -5.037 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.379 -3.867 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.707 -6.054 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.290 -6.832 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.735 -4.540 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.215 -6.225 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.322 -6.696 -12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.771 -5.327 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.123 -4.892 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.146 -3.828 -12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.205 -5.155 -12.232 1.00 0.00 H new ATOM 398 N GLU A 24 -1.147 -2.974 -7.267 1.00 0.00 N ATOM 399 CA GLU A 24 -0.188 -2.658 -6.168 1.00 0.00 C ATOM 400 C GLU A 24 -0.729 -1.451 -5.395 1.00 0.00 C ATOM 401 O GLU A 24 -0.941 -0.399 -5.948 1.00 0.00 O ATOM 402 CB GLU A 24 1.200 -2.359 -6.744 1.00 0.00 C ATOM 403 CG GLU A 24 2.134 -3.539 -6.478 1.00 0.00 C ATOM 404 CD GLU A 24 2.119 -4.482 -7.682 1.00 0.00 C ATOM 405 OE1 GLU A 24 2.443 -4.029 -8.769 1.00 0.00 O ATOM 406 OE2 GLU A 24 1.782 -5.640 -7.500 1.00 0.00 O ATOM 0 H GLU A 24 -1.376 -2.201 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.089 -3.511 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.127 -2.175 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.605 -1.454 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.147 -3.181 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.818 -4.072 -5.581 1.00 0.00 H new ATOM 413 N LEU A 25 -0.955 -1.596 -4.120 1.00 0.00 N ATOM 414 CA LEU A 25 -1.489 -0.458 -3.323 1.00 0.00 C ATOM 415 C LEU A 25 -0.318 0.191 -2.628 1.00 0.00 C ATOM 416 O LEU A 25 0.217 -0.352 -1.690 1.00 0.00 O ATOM 417 CB LEU A 25 -2.477 -0.977 -2.292 1.00 0.00 C ATOM 418 CG LEU A 25 -3.522 0.094 -2.046 1.00 0.00 C ATOM 419 CD1 LEU A 25 -2.841 1.359 -1.572 1.00 0.00 C ATOM 420 CD2 LEU A 25 -4.252 0.404 -3.335 1.00 0.00 C ATOM 0 H LEU A 25 -0.793 -2.455 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.003 0.259 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.949 -1.893 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.962 -1.224 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.226 -0.265 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.590 2.131 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.302 1.157 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.140 1.702 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.002 1.174 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.540 0.760 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.741 -0.498 -3.702 1.00 0.00 H new ATOM 432 N ARG A 26 0.107 1.334 -3.077 1.00 0.00 N ATOM 433 CA ARG A 26 1.252 1.958 -2.462 1.00 0.00 C ATOM 434 C ARG A 26 0.771 3.031 -1.508 1.00 0.00 C ATOM 435 O ARG A 26 -0.186 3.713 -1.769 1.00 0.00 O ATOM 436 CB ARG A 26 2.110 2.522 -3.582 1.00 0.00 C ATOM 437 CG ARG A 26 3.118 3.423 -2.988 1.00 0.00 C ATOM 438 CD ARG A 26 3.952 4.075 -4.088 1.00 0.00 C ATOM 439 NE ARG A 26 4.390 5.416 -3.631 1.00 0.00 N ATOM 440 CZ ARG A 26 5.174 6.141 -4.381 1.00 0.00 C ATOM 441 NH1 ARG A 26 6.239 5.609 -4.915 1.00 0.00 N ATOM 442 NH2 ARG A 26 4.893 7.396 -4.599 1.00 0.00 N ATOM 0 H ARG A 26 -0.309 1.850 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 26 1.848 1.254 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.598 1.715 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.492 3.064 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.625 4.191 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.766 2.863 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.818 3.455 -4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.366 4.162 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 26 4.078 5.773 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.458 4.627 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.852 6.175 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.060 7.812 -4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.507 7.962 -5.185 1.00 0.00 H new ATOM 456 N VAL A 27 1.410 3.171 -0.398 1.00 0.00 N ATOM 457 CA VAL A 27 0.956 4.214 0.573 1.00 0.00 C ATOM 458 C VAL A 27 2.141 5.076 1.015 1.00 0.00 C ATOM 459 O VAL A 27 3.005 4.637 1.740 1.00 0.00 O ATOM 460 CB VAL A 27 0.324 3.547 1.794 1.00 0.00 C ATOM 461 CG1 VAL A 27 -0.299 4.603 2.687 1.00 0.00 C ATOM 462 CG2 VAL A 27 -0.782 2.607 1.350 1.00 0.00 C ATOM 0 H VAL A 27 2.220 2.622 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 27 0.217 4.849 0.085 1.00 0.00 H new ATOM 0 HB VAL A 27 1.099 2.999 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.749 4.125 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.470 5.302 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.067 5.142 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.230 2.134 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.544 3.171 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.367 1.841 0.695 1.00 0.00 H new ATOM 472 N ILE A 28 2.187 6.313 0.613 1.00 0.00 N ATOM 473 CA ILE A 28 3.311 7.165 1.042 1.00 0.00 C ATOM 474 C ILE A 28 3.052 7.598 2.475 1.00 0.00 C ATOM 475 O ILE A 28 2.509 8.663 2.728 1.00 0.00 O ATOM 476 CB ILE A 28 3.409 8.370 0.127 1.00 0.00 C ATOM 477 CG1 ILE A 28 2.020 8.929 -0.097 1.00 0.00 C ATOM 478 CG2 ILE A 28 4.021 7.941 -1.202 1.00 0.00 C ATOM 479 CD1 ILE A 28 2.112 10.396 -0.523 1.00 0.00 C ATOM 0 H ILE A 28 1.498 6.763 0.011 1.00 0.00 H new ATOM 0 HA ILE A 28 4.254 6.620 0.989 1.00 0.00 H new ATOM 0 HB ILE A 28 4.039 9.137 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.505 8.350 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.432 8.843 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.094 8.804 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.016 7.531 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.391 7.181 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.109 10.792 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.609 10.971 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.683 10.471 -1.448 1.00 0.00 H new ATOM 491 N GLU A 29 3.409 6.756 3.416 1.00 0.00 N ATOM 492 CA GLU A 29 3.159 7.093 4.849 1.00 0.00 C ATOM 493 C GLU A 29 4.481 7.315 5.592 1.00 0.00 C ATOM 494 O GLU A 29 4.898 6.497 6.388 1.00 0.00 O ATOM 495 CB GLU A 29 2.398 5.943 5.512 1.00 0.00 C ATOM 496 CG GLU A 29 1.384 6.505 6.510 1.00 0.00 C ATOM 497 CD GLU A 29 1.188 5.506 7.652 1.00 0.00 C ATOM 498 OE1 GLU A 29 1.339 4.320 7.408 1.00 0.00 O ATOM 499 OE2 GLU A 29 0.891 5.943 8.752 1.00 0.00 O ATOM 0 H GLU A 29 3.860 5.856 3.253 1.00 0.00 H new ATOM 0 HA GLU A 29 2.572 8.010 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.887 5.348 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.095 5.279 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.735 7.459 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.434 6.695 6.011 1.00 0.00 H new ATOM 506 N SER A 30 5.140 8.414 5.347 1.00 0.00 N ATOM 507 CA SER A 30 6.427 8.680 6.050 1.00 0.00 C ATOM 508 C SER A 30 6.135 9.225 7.452 1.00 0.00 C ATOM 509 O SER A 30 6.864 8.980 8.393 1.00 0.00 O ATOM 510 CB SER A 30 7.230 9.718 5.266 1.00 0.00 C ATOM 511 OG SER A 30 7.718 9.127 4.070 1.00 0.00 O ATOM 0 H SER A 30 4.844 9.138 4.692 1.00 0.00 H new ATOM 0 HA SER A 30 6.998 7.755 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.603 10.578 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.060 10.084 5.870 1.00 0.00 H new ATOM 0 HG SER A 30 8.586 9.520 3.841 1.00 0.00 H new ATOM 517 N GLY A 31 5.072 9.970 7.589 1.00 0.00 N ATOM 518 CA GLY A 31 4.713 10.549 8.917 1.00 0.00 C ATOM 519 C GLY A 31 3.840 11.785 8.687 1.00 0.00 C ATOM 520 O GLY A 31 3.195 11.898 7.665 1.00 0.00 O ATOM 0 H GLY A 31 4.431 10.205 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.178 9.814 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.614 10.818 9.469 1.00 0.00 H new ATOM 524 N PRO A 32 3.819 12.670 9.639 1.00 0.00 N ATOM 525 CA PRO A 32 3.060 13.871 9.545 1.00 0.00 C ATOM 526 C PRO A 32 3.928 15.074 9.159 1.00 0.00 C ATOM 527 O PRO A 32 4.675 15.599 9.962 1.00 0.00 O ATOM 528 CB PRO A 32 2.533 14.060 10.960 1.00 0.00 C ATOM 529 CG PRO A 32 3.547 13.307 11.858 1.00 0.00 C ATOM 530 CD PRO A 32 4.452 12.509 10.899 1.00 0.00 C ATOM 0 HA PRO A 32 2.286 13.804 8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.477 15.116 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.528 13.651 11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.132 14.005 12.456 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.034 12.643 12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.470 12.898 10.890 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.515 11.459 11.186 1.00 0.00 H new ATOM 538 N HIS A 33 3.841 15.498 7.942 1.00 0.00 N ATOM 539 CA HIS A 33 4.673 16.665 7.484 1.00 0.00 C ATOM 540 C HIS A 33 4.101 17.229 6.179 1.00 0.00 C ATOM 541 O HIS A 33 3.258 18.103 6.184 1.00 0.00 O ATOM 542 CB HIS A 33 6.114 16.193 7.244 1.00 0.00 C ATOM 543 CG HIS A 33 6.088 14.703 7.153 1.00 0.00 C ATOM 544 ND1 HIS A 33 5.158 14.064 6.361 1.00 0.00 N ATOM 545 CD2 HIS A 33 6.748 13.721 7.832 1.00 0.00 C ATOM 546 CE1 HIS A 33 5.267 12.759 6.591 1.00 0.00 C ATOM 547 NE2 HIS A 33 6.232 12.484 7.473 1.00 0.00 N ATOM 0 H HIS A 33 3.232 15.096 7.230 1.00 0.00 H new ATOM 0 HA HIS A 33 4.660 17.442 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.512 16.626 6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.764 16.516 8.057 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.506 14.511 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.548 13.882 8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.648 12.009 6.120 1.00 0.00 H new ATOM 555 N CYS A 34 4.560 16.733 5.059 1.00 0.00 N ATOM 556 CA CYS A 34 4.051 17.236 3.751 1.00 0.00 C ATOM 557 C CYS A 34 4.627 16.383 2.612 1.00 0.00 C ATOM 558 O CYS A 34 4.001 16.200 1.587 1.00 0.00 O ATOM 559 CB CYS A 34 4.474 18.698 3.575 1.00 0.00 C ATOM 560 SG CYS A 34 4.227 19.219 1.856 1.00 0.00 S ATOM 0 H CYS A 34 5.267 16.000 4.995 1.00 0.00 H new ATOM 0 HA CYS A 34 2.963 17.169 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.894 19.335 4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.522 18.817 3.852 1.00 0.00 H new ATOM 565 N ALA A 35 5.815 15.859 2.779 1.00 0.00 N ATOM 566 CA ALA A 35 6.421 15.023 1.708 1.00 0.00 C ATOM 567 C ALA A 35 5.541 13.808 1.441 1.00 0.00 C ATOM 568 O ALA A 35 4.669 13.825 0.594 1.00 0.00 O ATOM 569 CB ALA A 35 7.806 14.554 2.156 1.00 0.00 C ATOM 0 H ALA A 35 6.389 15.976 3.614 1.00 0.00 H new ATOM 0 HA ALA A 35 6.507 15.613 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.253 13.941 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.440 15.420 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.713 13.966 3.069 1.00 0.00 H new ATOM 575 N ASN A 36 5.778 12.751 2.154 1.00 0.00 N ATOM 576 CA ASN A 36 4.992 11.518 1.965 1.00 0.00 C ATOM 577 C ASN A 36 4.084 11.288 3.158 1.00 0.00 C ATOM 578 O ASN A 36 4.506 11.325 4.293 1.00 0.00 O ATOM 579 CB ASN A 36 5.947 10.363 1.889 1.00 0.00 C ATOM 580 CG ASN A 36 7.064 10.673 0.930 1.00 0.00 C ATOM 581 OD1 ASN A 36 6.923 11.479 0.033 1.00 0.00 O ATOM 582 ND2 ASN A 36 8.177 10.054 1.089 1.00 0.00 N ATOM 0 H ASN A 36 6.499 12.692 2.873 1.00 0.00 H new ATOM 0 HA ASN A 36 4.393 11.607 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.355 10.154 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.419 9.466 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.957 10.237 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.282 9.379 1.847 1.00 0.00 H new ATOM 589 N THR A 37 2.840 11.056 2.905 1.00 0.00 N ATOM 590 CA THR A 37 1.886 10.835 4.022 1.00 0.00 C ATOM 591 C THR A 37 0.481 10.569 3.479 1.00 0.00 C ATOM 592 O THR A 37 -0.498 10.593 4.199 1.00 0.00 O ATOM 593 CB THR A 37 1.869 12.114 4.821 1.00 0.00 C ATOM 594 OG1 THR A 37 1.087 11.938 5.997 1.00 0.00 O ATOM 595 CG2 THR A 37 1.272 13.210 3.941 1.00 0.00 C ATOM 0 H THR A 37 2.434 11.008 1.970 1.00 0.00 H new ATOM 0 HA THR A 37 2.186 9.977 4.624 1.00 0.00 H new ATOM 0 HB THR A 37 2.879 12.390 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.677 11.892 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.247 14.148 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.883 13.332 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.258 12.933 3.652 1.00 0.00 H new ATOM 603 N GLU A 38 0.377 10.351 2.209 1.00 0.00 N ATOM 604 CA GLU A 38 -0.968 10.117 1.589 1.00 0.00 C ATOM 605 C GLU A 38 -1.077 8.692 1.032 1.00 0.00 C ATOM 606 O GLU A 38 -0.217 7.855 1.246 1.00 0.00 O ATOM 607 CB GLU A 38 -1.180 11.119 0.451 1.00 0.00 C ATOM 608 CG GLU A 38 -2.406 11.981 0.754 1.00 0.00 C ATOM 609 CD GLU A 38 -2.605 13.002 -0.368 1.00 0.00 C ATOM 610 OE1 GLU A 38 -2.003 12.828 -1.414 1.00 0.00 O ATOM 611 OE2 GLU A 38 -3.356 13.941 -0.161 1.00 0.00 O ATOM 0 H GLU A 38 1.163 10.322 1.559 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.730 10.248 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.298 11.749 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.318 10.591 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.291 11.352 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.276 12.494 1.707 1.00 0.00 H new ATOM 618 N ILE A 39 -2.132 8.399 0.309 1.00 0.00 N ATOM 619 CA ILE A 39 -2.267 7.030 -0.246 1.00 0.00 C ATOM 620 C ILE A 39 -1.608 6.987 -1.626 1.00 0.00 C ATOM 621 O ILE A 39 -1.360 7.999 -2.243 1.00 0.00 O ATOM 622 CB ILE A 39 -3.756 6.652 -0.357 1.00 0.00 C ATOM 623 CG1 ILE A 39 -4.232 6.084 0.983 1.00 0.00 C ATOM 624 CG2 ILE A 39 -3.972 5.600 -1.454 1.00 0.00 C ATOM 625 CD1 ILE A 39 -3.748 4.640 1.148 1.00 0.00 C ATOM 0 H ILE A 39 -2.891 9.043 0.086 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.777 6.315 0.415 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.324 7.546 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.854 6.697 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.320 6.119 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.031 5.349 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.639 6.000 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.399 4.704 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.093 4.248 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.147 4.028 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.659 4.616 1.117 1.00 0.00 H new ATOM 637 N ILE A 40 -1.357 5.808 -2.109 1.00 0.00 N ATOM 638 CA ILE A 40 -0.744 5.628 -3.461 1.00 0.00 C ATOM 639 C ILE A 40 -1.277 4.301 -4.014 1.00 0.00 C ATOM 640 O ILE A 40 -1.905 3.534 -3.315 1.00 0.00 O ATOM 641 CB ILE A 40 0.796 5.598 -3.377 1.00 0.00 C ATOM 642 CG1 ILE A 40 1.304 6.727 -2.473 1.00 0.00 C ATOM 643 CG2 ILE A 40 1.420 5.757 -4.763 1.00 0.00 C ATOM 644 CD1 ILE A 40 1.297 8.065 -3.225 1.00 0.00 C ATOM 0 H ILE A 40 -1.554 4.937 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.006 6.461 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 40 1.086 4.634 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.676 6.799 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.314 6.501 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.506 5.733 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.088 4.943 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.111 6.709 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.661 8.854 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.944 7.994 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.281 8.298 -3.544 1.00 0.00 H new ATOM 656 N VAL A 41 -1.067 4.025 -5.255 1.00 0.00 N ATOM 657 CA VAL A 41 -1.609 2.785 -5.829 1.00 0.00 C ATOM 658 C VAL A 41 -0.915 2.462 -7.130 1.00 0.00 C ATOM 659 O VAL A 41 -0.133 3.230 -7.679 1.00 0.00 O ATOM 660 CB VAL A 41 -3.105 2.947 -6.081 1.00 0.00 C ATOM 661 CG1 VAL A 41 -3.332 3.630 -7.417 1.00 0.00 C ATOM 662 CG2 VAL A 41 -3.786 1.576 -6.087 1.00 0.00 C ATOM 0 H VAL A 41 -0.539 4.610 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.441 1.971 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.532 3.557 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.402 3.743 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.860 4.613 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.897 3.026 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.854 1.701 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.354 0.959 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.635 1.091 -5.123 1.00 0.00 H new ATOM 672 N LYS A 42 -1.261 1.340 -7.630 1.00 0.00 N ATOM 673 CA LYS A 42 -0.710 0.868 -8.906 1.00 0.00 C ATOM 674 C LYS A 42 -1.845 0.242 -9.685 1.00 0.00 C ATOM 675 O LYS A 42 -1.910 -0.966 -9.861 1.00 0.00 O ATOM 676 CB LYS A 42 0.377 -0.159 -8.642 1.00 0.00 C ATOM 677 CG LYS A 42 1.744 0.527 -8.659 1.00 0.00 C ATOM 678 CD LYS A 42 2.622 -0.117 -9.731 1.00 0.00 C ATOM 679 CE LYS A 42 3.281 -1.371 -9.157 1.00 0.00 C ATOM 680 NZ LYS A 42 4.756 -1.169 -9.088 1.00 0.00 N ATOM 0 H LYS A 42 -1.928 0.702 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.271 1.690 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.212 -0.639 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.343 -0.943 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.626 1.592 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.220 0.439 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.021 -0.375 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.384 0.588 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.885 -1.581 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.050 -2.234 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.205 -2.022 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.127 -0.989 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.967 -0.355 -8.475 1.00 0.00 H new ATOM 694 N LEU A 43 -2.740 1.085 -10.120 1.00 0.00 N ATOM 695 CA LEU A 43 -3.929 0.640 -10.914 1.00 0.00 C ATOM 696 C LEU A 43 -3.495 -0.527 -11.800 1.00 0.00 C ATOM 697 O LEU A 43 -2.601 -0.356 -12.609 1.00 0.00 O ATOM 698 CB LEU A 43 -4.396 1.777 -11.818 1.00 0.00 C ATOM 699 CG LEU A 43 -4.695 3.067 -11.033 1.00 0.00 C ATOM 700 CD1 LEU A 43 -3.476 3.925 -10.849 1.00 0.00 C ATOM 701 CD2 LEU A 43 -5.607 3.914 -11.852 1.00 0.00 C ATOM 0 H LEU A 43 -2.699 2.091 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.737 0.348 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.630 1.980 -12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.292 1.466 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.100 2.757 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.743 4.821 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.718 3.367 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.081 4.210 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.831 4.834 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.125 4.157 -12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.533 3.371 -12.044 1.00 0.00 H new ATOM 713 N SER A 44 -4.166 -1.668 -11.681 1.00 0.00 N ATOM 714 CA SER A 44 -3.845 -2.904 -12.501 1.00 0.00 C ATOM 715 C SER A 44 -2.691 -2.671 -13.488 1.00 0.00 C ATOM 716 O SER A 44 -1.625 -2.226 -13.116 1.00 0.00 O ATOM 717 CB SER A 44 -5.087 -3.401 -13.241 1.00 0.00 C ATOM 718 OG SER A 44 -4.917 -4.774 -13.569 1.00 0.00 O ATOM 0 H SER A 44 -4.943 -1.795 -11.032 1.00 0.00 H new ATOM 0 HA SER A 44 -3.518 -3.671 -11.799 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.972 -3.270 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.244 -2.815 -14.147 1.00 0.00 H new ATOM 0 HG SER A 44 -5.712 -5.098 -14.042 1.00 0.00 H new ATOM 724 N ASP A 45 -2.858 -3.023 -14.731 1.00 0.00 N ATOM 725 CA ASP A 45 -1.746 -2.845 -15.696 1.00 0.00 C ATOM 726 C ASP A 45 -2.025 -1.602 -16.522 1.00 0.00 C ATOM 727 O ASP A 45 -1.905 -1.611 -17.731 1.00 0.00 O ATOM 728 CB ASP A 45 -1.640 -4.057 -16.629 1.00 0.00 C ATOM 729 CG ASP A 45 -2.829 -5.005 -16.441 1.00 0.00 C ATOM 730 OD1 ASP A 45 -3.878 -4.726 -16.997 1.00 0.00 O ATOM 731 OD2 ASP A 45 -2.667 -5.994 -15.744 1.00 0.00 O ATOM 0 H ASP A 45 -3.713 -3.424 -15.117 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.807 -2.745 -15.151 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.600 -3.720 -17.665 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.711 -4.591 -16.432 1.00 0.00 H new ATOM 736 N GLY A 46 -2.429 -0.535 -15.889 1.00 0.00 N ATOM 737 CA GLY A 46 -2.742 0.683 -16.670 1.00 0.00 C ATOM 738 C GLY A 46 -2.315 1.957 -15.936 1.00 0.00 C ATOM 739 O GLY A 46 -1.675 2.813 -16.516 1.00 0.00 O ATOM 0 H GLY A 46 -2.553 -0.458 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.239 0.634 -17.636 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.813 0.721 -16.870 1.00 0.00 H new ATOM 743 N ARG A 47 -2.703 2.149 -14.696 1.00 0.00 N ATOM 744 CA ARG A 47 -2.353 3.398 -14.025 1.00 0.00 C ATOM 745 C ARG A 47 -1.601 3.104 -12.725 1.00 0.00 C ATOM 746 O ARG A 47 -1.788 2.078 -12.101 1.00 0.00 O ATOM 747 CB ARG A 47 -3.651 4.082 -13.836 1.00 0.00 C ATOM 748 CG ARG A 47 -4.361 4.160 -15.164 1.00 0.00 C ATOM 749 CD ARG A 47 -5.586 3.285 -15.065 1.00 0.00 C ATOM 750 NE ARG A 47 -6.782 4.121 -14.789 1.00 0.00 N ATOM 751 CZ ARG A 47 -7.931 3.810 -15.324 1.00 0.00 C ATOM 752 NH1 ARG A 47 -8.158 4.083 -16.579 1.00 0.00 N ATOM 753 NH2 ARG A 47 -8.849 3.221 -14.605 1.00 0.00 N ATOM 0 H ARG A 47 -3.243 1.487 -14.140 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.672 4.035 -14.589 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.261 3.539 -13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.494 5.083 -13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.640 5.189 -15.392 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.710 3.821 -15.969 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.725 2.732 -15.994 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.455 2.549 -14.272 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.706 4.937 -14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.438 4.539 -17.140 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.055 3.841 -16.999 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.668 3.004 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.747 2.978 -15.024 1.00 0.00 H new ATOM 767 N GLU A 48 -0.701 3.958 -12.324 1.00 0.00 N ATOM 768 CA GLU A 48 0.071 3.679 -11.089 1.00 0.00 C ATOM 769 C GLU A 48 0.719 4.969 -10.588 1.00 0.00 C ATOM 770 O GLU A 48 1.675 5.454 -11.160 1.00 0.00 O ATOM 771 CB GLU A 48 1.174 2.666 -11.393 1.00 0.00 C ATOM 772 CG GLU A 48 0.972 2.052 -12.783 1.00 0.00 C ATOM 773 CD GLU A 48 2.195 1.216 -13.158 1.00 0.00 C ATOM 774 OE1 GLU A 48 3.234 1.804 -13.413 1.00 0.00 O ATOM 775 OE2 GLU A 48 2.074 0.002 -13.188 1.00 0.00 O ATOM 0 H GLU A 48 -0.470 4.831 -12.797 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.603 3.281 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.148 3.154 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.172 1.880 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.077 1.429 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.818 2.840 -13.520 1.00 0.00 H new ATOM 782 N LEU A 49 0.191 5.553 -9.550 1.00 0.00 N ATOM 783 CA LEU A 49 0.777 6.838 -9.061 1.00 0.00 C ATOM 784 C LEU A 49 0.270 7.145 -7.645 1.00 0.00 C ATOM 785 O LEU A 49 0.049 6.250 -6.864 1.00 0.00 O ATOM 786 CB LEU A 49 0.380 7.965 -10.028 1.00 0.00 C ATOM 787 CG LEU A 49 1.623 8.751 -10.477 1.00 0.00 C ATOM 788 CD1 LEU A 49 2.594 8.937 -9.304 1.00 0.00 C ATOM 789 CD2 LEU A 49 2.326 7.991 -11.602 1.00 0.00 C ATOM 0 H LEU A 49 -0.610 5.205 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 49 1.863 6.757 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.126 7.545 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.327 8.637 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 49 1.308 9.732 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.468 9.495 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.098 9.487 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.908 7.961 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.207 8.547 -11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.628 7.007 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.644 7.876 -12.445 1.00 0.00 H new ATOM 801 N CYS A 50 0.073 8.399 -7.309 1.00 0.00 N ATOM 802 CA CYS A 50 -0.417 8.756 -5.939 1.00 0.00 C ATOM 803 C CYS A 50 -1.933 8.553 -5.823 1.00 0.00 C ATOM 804 O CYS A 50 -2.595 8.155 -6.755 1.00 0.00 O ATOM 805 CB CYS A 50 -0.092 10.224 -5.662 1.00 0.00 C ATOM 806 SG CYS A 50 -0.733 11.235 -7.022 1.00 0.00 S ATOM 0 H CYS A 50 0.232 9.194 -7.928 1.00 0.00 H new ATOM 0 HA CYS A 50 0.077 8.107 -5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.537 10.537 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.985 10.360 -5.567 1.00 0.00 H new ATOM 811 N LEU A 51 -2.474 8.803 -4.658 1.00 0.00 N ATOM 812 CA LEU A 51 -3.939 8.620 -4.431 1.00 0.00 C ATOM 813 C LEU A 51 -4.348 9.363 -3.147 1.00 0.00 C ATOM 814 O LEU A 51 -3.796 9.134 -2.077 1.00 0.00 O ATOM 815 CB LEU A 51 -4.241 7.132 -4.258 1.00 0.00 C ATOM 816 CG LEU A 51 -5.140 6.658 -5.401 1.00 0.00 C ATOM 817 CD1 LEU A 51 -5.501 5.188 -5.185 1.00 0.00 C ATOM 818 CD2 LEU A 51 -6.421 7.495 -5.423 1.00 0.00 C ATOM 0 H LEU A 51 -1.955 9.131 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.493 9.014 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.313 6.560 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.731 6.958 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.614 6.771 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.142 4.847 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.591 4.589 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.028 5.078 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.062 7.158 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.947 7.380 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.167 8.545 -5.572 1.00 0.00 H new ATOM 830 N ASP A 52 -5.298 10.255 -3.237 1.00 0.00 N ATOM 831 CA ASP A 52 -5.722 11.005 -2.020 1.00 0.00 C ATOM 832 C ASP A 52 -6.804 10.220 -1.256 1.00 0.00 C ATOM 833 O ASP A 52 -6.705 10.065 -0.056 1.00 0.00 O ATOM 834 CB ASP A 52 -6.242 12.394 -2.426 1.00 0.00 C ATOM 835 CG ASP A 52 -7.168 12.953 -1.340 1.00 0.00 C ATOM 836 OD1 ASP A 52 -6.665 13.591 -0.429 1.00 0.00 O ATOM 837 OD2 ASP A 52 -8.365 12.733 -1.437 1.00 0.00 O ATOM 0 H ASP A 52 -5.796 10.495 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.865 11.129 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.403 13.072 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.779 12.327 -3.372 1.00 0.00 H new ATOM 910 N VAL A 58 -5.356 7.174 5.713 1.00 0.00 N ATOM 911 CA VAL A 58 -4.559 8.213 5.166 1.00 0.00 C ATOM 912 C VAL A 58 -5.346 9.513 5.246 1.00 0.00 C ATOM 913 O VAL A 58 -4.797 10.595 5.333 1.00 0.00 O ATOM 914 CB VAL A 58 -4.250 7.753 3.761 1.00 0.00 C ATOM 915 CG1 VAL A 58 -5.031 8.565 2.759 1.00 0.00 C ATOM 916 CG2 VAL A 58 -2.755 7.863 3.475 1.00 0.00 C ATOM 0 HA VAL A 58 -3.625 8.408 5.692 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.544 6.707 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.797 8.222 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.098 8.444 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.763 9.617 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.553 7.527 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.439 8.901 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.203 7.240 4.179 1.00 0.00 H new ATOM 926 N LYS A 59 -6.643 9.396 5.238 1.00 0.00 N ATOM 927 CA LYS A 59 -7.488 10.600 5.336 1.00 0.00 C ATOM 928 C LYS A 59 -7.391 11.134 6.757 1.00 0.00 C ATOM 929 O LYS A 59 -7.541 12.314 7.006 1.00 0.00 O ATOM 930 CB LYS A 59 -8.940 10.246 5.005 1.00 0.00 C ATOM 931 CG LYS A 59 -9.793 11.515 5.028 1.00 0.00 C ATOM 932 CD LYS A 59 -11.192 11.179 5.548 1.00 0.00 C ATOM 933 CE LYS A 59 -12.236 11.567 4.499 1.00 0.00 C ATOM 934 NZ LYS A 59 -13.597 11.231 5.006 1.00 0.00 N ATOM 0 H LYS A 59 -7.149 8.513 5.167 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.150 11.357 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.996 9.775 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.323 9.525 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.328 12.267 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.858 11.941 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.263 10.114 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.382 11.712 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.170 12.633 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.043 11.039 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.308 11.494 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.656 10.210 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.779 11.754 5.886 1.00 0.00 H new ATOM 1270 N CYS B 7 4.363 -19.074 -5.826 1.00 0.00 N ATOM 1271 CA CYS B 7 4.013 -17.653 -6.112 1.00 0.00 C ATOM 1272 C CYS B 7 5.292 -16.813 -6.168 1.00 0.00 C ATOM 1273 O CYS B 7 6.377 -17.331 -6.351 1.00 0.00 O ATOM 1274 CB CYS B 7 3.081 -17.121 -5.017 1.00 0.00 C ATOM 1275 SG CYS B 7 1.514 -18.036 -5.042 1.00 0.00 S ATOM 0 HA CYS B 7 3.502 -17.590 -7.073 1.00 0.00 H new ATOM 0 HB2 CYS B 7 3.556 -17.223 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS B 7 2.894 -16.058 -5.171 1.00 0.00 H new ATOM 1280 N GLN B 8 5.175 -15.520 -6.034 1.00 0.00 N ATOM 1281 CA GLN B 8 6.383 -14.651 -6.103 1.00 0.00 C ATOM 1282 C GLN B 8 7.089 -14.591 -4.747 1.00 0.00 C ATOM 1283 O GLN B 8 8.153 -15.148 -4.566 1.00 0.00 O ATOM 1284 CB GLN B 8 5.970 -13.248 -6.516 1.00 0.00 C ATOM 1285 CG GLN B 8 6.719 -12.847 -7.789 1.00 0.00 C ATOM 1286 CD GLN B 8 8.006 -12.129 -7.422 1.00 0.00 C ATOM 1287 OE1 GLN B 8 8.305 -11.935 -6.261 1.00 0.00 O ATOM 1288 NE2 GLN B 8 8.786 -11.725 -8.377 1.00 0.00 N ATOM 0 H GLN B 8 4.295 -15.028 -5.880 1.00 0.00 H new ATOM 0 HA GLN B 8 7.072 -15.071 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN B 8 4.894 -13.210 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN B 8 6.190 -12.542 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN B 8 6.942 -13.732 -8.385 1.00 0.00 H new ATOM 0 HG3 GLN B 8 6.092 -12.200 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN B 8 8.529 -11.891 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN B 8 9.656 -11.241 -8.155 1.00 0.00 H new ATOM 1297 N CYS B 9 6.520 -13.898 -3.798 1.00 0.00 N ATOM 1298 CA CYS B 9 7.180 -13.783 -2.465 1.00 0.00 C ATOM 1299 C CYS B 9 6.211 -14.200 -1.354 1.00 0.00 C ATOM 1300 O CYS B 9 5.037 -13.891 -1.389 1.00 0.00 O ATOM 1301 CB CYS B 9 7.610 -12.326 -2.260 1.00 0.00 C ATOM 1302 SG CYS B 9 8.065 -12.046 -0.531 1.00 0.00 S ATOM 0 H CYS B 9 5.630 -13.408 -3.887 1.00 0.00 H new ATOM 0 HA CYS B 9 8.049 -14.440 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS B 9 8.455 -12.094 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS B 9 6.798 -11.656 -2.543 1.00 0.00 H new ATOM 1307 N ILE B 10 6.704 -14.894 -0.363 1.00 0.00 N ATOM 1308 CA ILE B 10 5.824 -15.327 0.761 1.00 0.00 C ATOM 1309 C ILE B 10 6.362 -14.770 2.079 1.00 0.00 C ATOM 1310 O ILE B 10 5.656 -14.676 3.062 1.00 0.00 O ATOM 1311 CB ILE B 10 5.785 -16.856 0.831 1.00 0.00 C ATOM 1312 CG1 ILE B 10 5.969 -17.443 -0.572 1.00 0.00 C ATOM 1313 CG2 ILE B 10 4.437 -17.305 1.395 1.00 0.00 C ATOM 1314 CD1 ILE B 10 5.958 -18.971 -0.492 1.00 0.00 C ATOM 0 H ILE B 10 7.680 -15.180 -0.283 1.00 0.00 H new ATOM 0 HA ILE B 10 4.816 -14.949 0.591 1.00 0.00 H new ATOM 0 HB ILE B 10 6.589 -17.207 1.478 1.00 0.00 H new ATOM 0 HG12 ILE B 10 5.172 -17.097 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE B 10 6.909 -17.098 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.408 -18.393 1.445 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.305 -16.892 2.395 1.00 0.00 H new ATOM 0 HG23 ILE B 10 3.635 -16.950 0.747 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.089 -19.389 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.771 -19.308 0.152 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.006 -19.307 -0.080 1.00 0.00 H new ATOM 1326 N LYS B 11 7.611 -14.407 2.104 1.00 0.00 N ATOM 1327 CA LYS B 11 8.216 -13.860 3.339 1.00 0.00 C ATOM 1328 C LYS B 11 8.153 -12.329 3.308 1.00 0.00 C ATOM 1329 O LYS B 11 7.517 -11.742 2.455 1.00 0.00 O ATOM 1330 CB LYS B 11 9.673 -14.307 3.381 1.00 0.00 C ATOM 1331 CG LYS B 11 9.753 -15.737 3.914 1.00 0.00 C ATOM 1332 CD LYS B 11 11.219 -16.127 4.106 1.00 0.00 C ATOM 1333 CE LYS B 11 11.885 -16.301 2.740 1.00 0.00 C ATOM 1334 NZ LYS B 11 12.847 -17.437 2.797 1.00 0.00 N ATOM 0 H LYS B 11 8.245 -14.468 1.307 1.00 0.00 H new ATOM 0 HA LYS B 11 7.679 -14.217 4.218 1.00 0.00 H new ATOM 0 HB2 LYS B 11 10.109 -14.255 2.384 1.00 0.00 H new ATOM 0 HB3 LYS B 11 10.252 -13.638 4.018 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.218 -15.814 4.860 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.271 -16.424 3.218 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.738 -15.360 4.680 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.288 -17.053 4.676 1.00 0.00 H new ATOM 0 HE2 LYS B 11 11.130 -16.488 1.977 1.00 0.00 H new ATOM 0 HE3 LYS B 11 12.404 -15.385 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 13.300 -17.555 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 13.574 -17.241 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 12.340 -18.309 3.048 1.00 0.00 H new ATOM 1348 N THR B 12 8.821 -11.677 4.223 1.00 0.00 N ATOM 1349 CA THR B 12 8.812 -10.184 4.234 1.00 0.00 C ATOM 1350 C THR B 12 9.533 -9.663 3.018 1.00 0.00 C ATOM 1351 O THR B 12 9.985 -10.405 2.169 1.00 0.00 O ATOM 1352 CB THR B 12 9.486 -9.646 5.493 1.00 0.00 C ATOM 1353 OG1 THR B 12 10.860 -9.403 5.230 1.00 0.00 O ATOM 1354 CG2 THR B 12 9.347 -10.655 6.635 1.00 0.00 C ATOM 0 H THR B 12 9.372 -12.113 4.962 1.00 0.00 H new ATOM 0 HA THR B 12 7.776 -9.847 4.222 1.00 0.00 H new ATOM 0 HB THR B 12 9.003 -8.714 5.786 1.00 0.00 H new ATOM 0 HG1 THR B 12 11.086 -8.486 5.493 1.00 0.00 H new ATOM 0 HG21 THR B 12 9.831 -10.262 7.529 1.00 0.00 H new ATOM 0 HG22 THR B 12 8.291 -10.828 6.841 1.00 0.00 H new ATOM 0 HG23 THR B 12 9.820 -11.595 6.350 1.00 0.00 H new ATOM 1362 N TYR B 13 9.634 -8.382 2.931 1.00 0.00 N ATOM 1363 CA TYR B 13 10.311 -7.772 1.784 1.00 0.00 C ATOM 1364 C TYR B 13 11.634 -8.490 1.573 1.00 0.00 C ATOM 1365 O TYR B 13 12.030 -8.818 0.472 1.00 0.00 O ATOM 1366 CB TYR B 13 10.502 -6.299 2.101 1.00 0.00 C ATOM 1367 CG TYR B 13 11.707 -6.111 2.970 1.00 0.00 C ATOM 1368 CD1 TYR B 13 12.959 -6.059 2.383 1.00 0.00 C ATOM 1369 CD2 TYR B 13 11.571 -5.939 4.346 1.00 0.00 C ATOM 1370 CE1 TYR B 13 14.083 -5.823 3.149 1.00 0.00 C ATOM 1371 CE2 TYR B 13 12.698 -5.716 5.127 1.00 0.00 C ATOM 1372 CZ TYR B 13 13.965 -5.647 4.523 1.00 0.00 C ATOM 1373 OH TYR B 13 15.090 -5.394 5.274 1.00 0.00 O ATOM 0 H TYR B 13 9.269 -7.723 3.619 1.00 0.00 H new ATOM 0 HA TYR B 13 9.734 -7.860 0.863 1.00 0.00 H new ATOM 0 HB2 TYR B 13 10.618 -5.732 1.177 1.00 0.00 H new ATOM 0 HB3 TYR B 13 9.617 -5.910 2.604 1.00 0.00 H new ATOM 0 HD1 TYR B 13 13.058 -6.204 1.317 1.00 0.00 H new ATOM 0 HD2 TYR B 13 10.593 -5.979 4.803 1.00 0.00 H new ATOM 0 HE1 TYR B 13 15.055 -5.775 2.680 1.00 0.00 H new ATOM 0 HE2 TYR B 13 12.601 -5.596 6.196 1.00 0.00 H new ATOM 0 HH TYR B 13 15.889 -5.591 4.742 1.00 0.00 H new ATOM 1383 N SER B 14 12.304 -8.722 2.644 1.00 0.00 N ATOM 1384 CA SER B 14 13.611 -9.411 2.609 1.00 0.00 C ATOM 1385 C SER B 14 14.009 -9.651 4.052 1.00 0.00 C ATOM 1386 O SER B 14 14.593 -10.653 4.410 1.00 0.00 O ATOM 1387 CB SER B 14 14.647 -8.506 1.940 1.00 0.00 C ATOM 1388 OG SER B 14 15.615 -9.309 1.280 1.00 0.00 O ATOM 0 H SER B 14 11.994 -8.455 3.578 1.00 0.00 H new ATOM 0 HA SER B 14 13.553 -10.345 2.050 1.00 0.00 H new ATOM 0 HB2 SER B 14 14.160 -7.842 1.226 1.00 0.00 H new ATOM 0 HB3 SER B 14 15.129 -7.873 2.685 1.00 0.00 H new ATOM 0 HG SER B 14 16.280 -8.732 0.849 1.00 0.00 H new ATOM 1394 N LYS B 15 13.704 -8.688 4.872 1.00 0.00 N ATOM 1395 CA LYS B 15 14.046 -8.753 6.293 1.00 0.00 C ATOM 1396 C LYS B 15 12.860 -8.238 7.124 1.00 0.00 C ATOM 1397 O LYS B 15 12.015 -7.533 6.623 1.00 0.00 O ATOM 1398 CB LYS B 15 15.250 -7.833 6.444 1.00 0.00 C ATOM 1399 CG LYS B 15 14.938 -6.679 7.393 1.00 0.00 C ATOM 1400 CD LYS B 15 16.160 -5.766 7.598 1.00 0.00 C ATOM 1401 CE LYS B 15 17.440 -6.354 6.978 1.00 0.00 C ATOM 1402 NZ LYS B 15 18.019 -7.373 7.898 1.00 0.00 N ATOM 0 H LYS B 15 13.216 -7.836 4.594 1.00 0.00 H new ATOM 0 HA LYS B 15 14.267 -9.765 6.634 1.00 0.00 H new ATOM 0 HB2 LYS B 15 16.101 -8.400 6.822 1.00 0.00 H new ATOM 0 HB3 LYS B 15 15.537 -7.440 5.469 1.00 0.00 H new ATOM 0 HG2 LYS B 15 14.109 -6.094 6.995 1.00 0.00 H new ATOM 0 HG3 LYS B 15 14.615 -7.076 8.355 1.00 0.00 H new ATOM 0 HD2 LYS B 15 15.960 -4.790 7.155 1.00 0.00 H new ATOM 0 HD3 LYS B 15 16.316 -5.606 8.665 1.00 0.00 H new ATOM 0 HE2 LYS B 15 17.213 -6.808 6.013 1.00 0.00 H new ATOM 0 HE3 LYS B 15 18.165 -5.561 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 18.121 -8.277 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 18.952 -7.053 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 17.389 -7.501 8.715 1.00 0.00 H new ATOM 1416 N PRO B 16 12.847 -8.568 8.377 1.00 0.00 N ATOM 1417 CA PRO B 16 11.837 -8.108 9.289 1.00 0.00 C ATOM 1418 C PRO B 16 12.247 -6.837 9.947 1.00 0.00 C ATOM 1419 O PRO B 16 13.407 -6.520 10.119 1.00 0.00 O ATOM 1420 CB PRO B 16 11.687 -9.195 10.299 1.00 0.00 C ATOM 1421 CG PRO B 16 13.001 -9.941 10.241 1.00 0.00 C ATOM 1422 CD PRO B 16 13.781 -9.454 9.001 1.00 0.00 C ATOM 0 HA PRO B 16 10.900 -7.900 8.772 1.00 0.00 H new ATOM 0 HB2 PRO B 16 11.502 -8.791 11.294 1.00 0.00 H new ATOM 0 HB3 PRO B 16 10.848 -9.848 10.059 1.00 0.00 H new ATOM 0 HG2 PRO B 16 13.579 -9.762 11.148 1.00 0.00 H new ATOM 0 HG3 PRO B 16 12.825 -11.015 10.181 1.00 0.00 H new ATOM 0 HD2 PRO B 16 14.703 -8.943 9.277 1.00 0.00 H new ATOM 0 HD3 PRO B 16 14.058 -10.280 8.345 1.00 0.00 H new ATOM 1430 N PHE B 17 11.269 -6.085 10.248 1.00 0.00 N ATOM 1431 CA PHE B 17 11.506 -4.771 10.835 1.00 0.00 C ATOM 1432 C PHE B 17 10.170 -4.196 11.270 1.00 0.00 C ATOM 1433 O PHE B 17 9.131 -4.657 10.841 1.00 0.00 O ATOM 1434 CB PHE B 17 12.074 -3.919 9.717 1.00 0.00 C ATOM 1435 CG PHE B 17 11.091 -3.934 8.567 1.00 0.00 C ATOM 1436 CD1 PHE B 17 10.846 -5.116 7.840 1.00 0.00 C ATOM 1437 CD2 PHE B 17 10.397 -2.768 8.224 1.00 0.00 C ATOM 1438 CE1 PHE B 17 9.943 -5.118 6.812 1.00 0.00 C ATOM 1439 CE2 PHE B 17 9.496 -2.780 7.187 1.00 0.00 C ATOM 1440 CZ PHE B 17 9.264 -3.956 6.478 1.00 0.00 C ATOM 0 H PHE B 17 10.288 -6.327 10.111 1.00 0.00 H new ATOM 0 HA PHE B 17 12.177 -4.811 11.693 1.00 0.00 H new ATOM 0 HB2 PHE B 17 12.239 -2.899 10.063 1.00 0.00 H new ATOM 0 HB3 PHE B 17 13.041 -4.307 9.396 1.00 0.00 H new ATOM 0 HD1 PHE B 17 11.373 -6.024 8.095 1.00 0.00 H new ATOM 0 HD2 PHE B 17 10.570 -1.856 8.776 1.00 0.00 H new ATOM 0 HE1 PHE B 17 9.759 -6.027 6.259 1.00 0.00 H new ATOM 0 HE2 PHE B 17 8.967 -1.877 6.921 1.00 0.00 H new ATOM 0 HZ PHE B 17 8.553 -3.963 5.665 1.00 0.00 H new ATOM 1450 N HIS B 18 10.159 -3.174 12.068 1.00 0.00 N ATOM 1451 CA HIS B 18 8.883 -2.598 12.433 1.00 0.00 C ATOM 1452 C HIS B 18 8.432 -1.806 11.220 1.00 0.00 C ATOM 1453 O HIS B 18 9.149 -0.945 10.751 1.00 0.00 O ATOM 1454 CB HIS B 18 9.066 -1.706 13.644 1.00 0.00 C ATOM 1455 CG HIS B 18 8.996 -2.552 14.863 1.00 0.00 C ATOM 1456 ND1 HIS B 18 9.969 -3.477 15.206 1.00 0.00 N ATOM 1457 CD2 HIS B 18 8.053 -2.624 15.816 1.00 0.00 C ATOM 1458 CE1 HIS B 18 9.571 -4.068 16.348 1.00 0.00 C ATOM 1459 NE2 HIS B 18 8.399 -3.581 16.767 1.00 0.00 N ATOM 0 H HIS B 18 10.982 -2.727 12.472 1.00 0.00 H new ATOM 0 HA HIS B 18 8.139 -3.349 12.699 1.00 0.00 H new ATOM 0 HB2 HIS B 18 10.025 -1.191 13.594 1.00 0.00 H new ATOM 0 HB3 HIS B 18 8.293 -0.938 13.670 1.00 0.00 H new ATOM 0 HD2 HIS B 18 7.154 -2.025 15.842 1.00 0.00 H new ATOM 0 HE1 HIS B 18 10.128 -4.838 16.861 1.00 0.00 H new ATOM 0 HE2 HIS B 18 7.874 -3.851 17.599 1.00 0.00 H new ATOM 1467 N PRO B 19 7.288 -2.142 10.705 1.00 0.00 N ATOM 1468 CA PRO B 19 6.781 -1.494 9.508 1.00 0.00 C ATOM 1469 C PRO B 19 6.422 -0.037 9.817 1.00 0.00 C ATOM 1470 O PRO B 19 6.072 0.731 8.947 1.00 0.00 O ATOM 1471 CB PRO B 19 5.556 -2.327 9.122 1.00 0.00 C ATOM 1472 CG PRO B 19 5.126 -3.064 10.407 1.00 0.00 C ATOM 1473 CD PRO B 19 6.393 -3.160 11.274 1.00 0.00 C ATOM 0 HA PRO B 19 7.503 -1.453 8.693 1.00 0.00 H new ATOM 0 HB2 PRO B 19 4.753 -1.691 8.749 1.00 0.00 H new ATOM 0 HB3 PRO B 19 5.798 -3.034 8.328 1.00 0.00 H new ATOM 0 HG2 PRO B 19 4.337 -2.519 10.925 1.00 0.00 H new ATOM 0 HG3 PRO B 19 4.732 -4.054 10.178 1.00 0.00 H new ATOM 0 HD2 PRO B 19 6.175 -2.959 12.323 1.00 0.00 H new ATOM 0 HD3 PRO B 19 6.836 -4.154 11.225 1.00 0.00 H new ATOM 1481 N LYS B 20 6.514 0.341 11.061 1.00 0.00 N ATOM 1482 CA LYS B 20 6.197 1.732 11.458 1.00 0.00 C ATOM 1483 C LYS B 20 7.015 2.721 10.628 1.00 0.00 C ATOM 1484 O LYS B 20 6.513 3.727 10.168 1.00 0.00 O ATOM 1485 CB LYS B 20 6.567 1.894 12.915 1.00 0.00 C ATOM 1486 CG LYS B 20 5.304 2.058 13.748 1.00 0.00 C ATOM 1487 CD LYS B 20 5.497 3.228 14.707 1.00 0.00 C ATOM 1488 CE LYS B 20 4.309 3.310 15.667 1.00 0.00 C ATOM 1489 NZ LYS B 20 4.697 2.750 16.992 1.00 0.00 N ATOM 0 H LYS B 20 6.800 -0.268 11.828 1.00 0.00 H new ATOM 0 HA LYS B 20 5.137 1.929 11.295 1.00 0.00 H new ATOM 0 HB2 LYS B 20 7.129 1.025 13.256 1.00 0.00 H new ATOM 0 HB3 LYS B 20 7.214 2.762 13.042 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.446 2.238 13.101 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.097 1.144 14.305 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.423 3.101 15.269 1.00 0.00 H new ATOM 0 HD3 LYS B 20 5.589 4.158 14.147 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.989 4.346 15.778 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.462 2.757 15.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 3.888 2.807 17.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 4.982 1.756 16.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.493 3.296 17.380 1.00 0.00 H new ATOM 1503 N PHE B 21 8.281 2.456 10.460 1.00 0.00 N ATOM 1504 CA PHE B 21 9.148 3.384 9.695 1.00 0.00 C ATOM 1505 C PHE B 21 9.005 3.160 8.181 1.00 0.00 C ATOM 1506 O PHE B 21 9.889 3.483 7.424 1.00 0.00 O ATOM 1507 CB PHE B 21 10.589 3.139 10.166 1.00 0.00 C ATOM 1508 CG PHE B 21 11.400 2.412 9.153 1.00 0.00 C ATOM 1509 CD1 PHE B 21 10.933 1.205 8.642 1.00 0.00 C ATOM 1510 CD2 PHE B 21 12.622 2.938 8.741 1.00 0.00 C ATOM 1511 CE1 PHE B 21 11.688 0.521 7.710 1.00 0.00 C ATOM 1512 CE2 PHE B 21 13.380 2.252 7.804 1.00 0.00 C ATOM 1513 CZ PHE B 21 12.910 1.047 7.293 1.00 0.00 C ATOM 0 H PHE B 21 8.752 1.628 10.825 1.00 0.00 H new ATOM 0 HA PHE B 21 8.858 4.419 9.875 1.00 0.00 H new ATOM 0 HB2 PHE B 21 11.063 4.095 10.389 1.00 0.00 H new ATOM 0 HB3 PHE B 21 10.573 2.567 11.094 1.00 0.00 H new ATOM 0 HD1 PHE B 21 9.986 0.806 8.972 1.00 0.00 H new ATOM 0 HD2 PHE B 21 12.977 3.873 9.148 1.00 0.00 H new ATOM 0 HE1 PHE B 21 11.334 -0.416 7.306 1.00 0.00 H new ATOM 0 HE2 PHE B 21 14.328 2.650 7.474 1.00 0.00 H new ATOM 0 HZ PHE B 21 13.499 0.512 6.563 1.00 0.00 H new ATOM 1523 N ILE B 22 7.910 2.633 7.720 1.00 0.00 N ATOM 1524 CA ILE B 22 7.769 2.426 6.263 1.00 0.00 C ATOM 1525 C ILE B 22 7.401 3.747 5.579 1.00 0.00 C ATOM 1526 O ILE B 22 6.684 4.563 6.123 1.00 0.00 O ATOM 1527 CB ILE B 22 6.674 1.406 6.012 1.00 0.00 C ATOM 1528 CG1 ILE B 22 5.370 1.954 6.573 1.00 0.00 C ATOM 1529 CG2 ILE B 22 7.028 0.082 6.689 1.00 0.00 C ATOM 1530 CD1 ILE B 22 4.273 0.894 6.476 1.00 0.00 C ATOM 0 H ILE B 22 7.114 2.340 8.286 1.00 0.00 H new ATOM 0 HA ILE B 22 8.714 2.066 5.855 1.00 0.00 H new ATOM 0 HB ILE B 22 6.569 1.224 4.942 1.00 0.00 H new ATOM 0 HG12 ILE B 22 5.508 2.252 7.612 1.00 0.00 H new ATOM 0 HG13 ILE B 22 5.074 2.847 6.022 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.237 -0.644 6.504 1.00 0.00 H new ATOM 0 HG22 ILE B 22 7.968 -0.294 6.284 1.00 0.00 H new ATOM 0 HG23 ILE B 22 7.132 0.239 7.763 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.343 1.295 6.880 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.126 0.617 5.432 1.00 0.00 H new ATOM 0 HD13 ILE B 22 4.567 0.013 7.047 1.00 0.00 H new ATOM 1542 N LYS B 23 7.884 3.957 4.383 1.00 0.00 N ATOM 1543 CA LYS B 23 7.565 5.218 3.651 1.00 0.00 C ATOM 1544 C LYS B 23 6.555 4.913 2.553 1.00 0.00 C ATOM 1545 O LYS B 23 5.661 5.690 2.295 1.00 0.00 O ATOM 1546 CB LYS B 23 8.845 5.792 3.041 1.00 0.00 C ATOM 1547 CG LYS B 23 8.509 7.018 2.193 1.00 0.00 C ATOM 1548 CD LYS B 23 9.308 6.970 0.889 1.00 0.00 C ATOM 1549 CE LYS B 23 10.780 7.267 1.179 1.00 0.00 C ATOM 1550 NZ LYS B 23 11.626 6.697 0.092 1.00 0.00 N ATOM 0 H LYS B 23 8.488 3.307 3.880 1.00 0.00 H new ATOM 0 HA LYS B 23 7.142 5.950 4.339 1.00 0.00 H new ATOM 0 HB2 LYS B 23 9.545 6.065 3.831 1.00 0.00 H new ATOM 0 HB3 LYS B 23 9.337 5.037 2.427 1.00 0.00 H new ATOM 0 HG2 LYS B 23 7.441 7.043 1.977 1.00 0.00 H new ATOM 0 HG3 LYS B 23 8.744 7.929 2.743 1.00 0.00 H new ATOM 0 HD2 LYS B 23 9.209 5.988 0.426 1.00 0.00 H new ATOM 0 HD3 LYS B 23 8.912 7.698 0.181 1.00 0.00 H new ATOM 0 HE2 LYS B 23 10.938 8.343 1.250 1.00 0.00 H new ATOM 0 HE3 LYS B 23 11.066 6.838 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 12.627 6.899 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 11.483 5.668 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 11.359 7.126 -0.817 1.00 0.00 H new ATOM 1564 N GLU B 24 6.666 3.784 1.915 1.00 0.00 N ATOM 1565 CA GLU B 24 5.662 3.456 0.861 1.00 0.00 C ATOM 1566 C GLU B 24 5.063 2.084 1.184 1.00 0.00 C ATOM 1567 O GLU B 24 5.761 1.104 1.278 1.00 0.00 O ATOM 1568 CB GLU B 24 6.326 3.449 -0.519 1.00 0.00 C ATOM 1569 CG GLU B 24 5.918 4.700 -1.296 1.00 0.00 C ATOM 1570 CD GLU B 24 6.964 5.796 -1.083 1.00 0.00 C ATOM 1571 OE1 GLU B 24 8.116 5.558 -1.405 1.00 0.00 O ATOM 1572 OE2 GLU B 24 6.595 6.854 -0.600 1.00 0.00 O ATOM 0 H GLU B 24 7.392 3.085 2.071 1.00 0.00 H new ATOM 0 HA GLU B 24 4.872 4.207 0.843 1.00 0.00 H new ATOM 0 HB2 GLU B 24 7.410 3.414 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU B 24 6.032 2.556 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.829 4.469 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.940 5.046 -0.962 1.00 0.00 H new ATOM 1579 N LEU B 25 3.773 2.006 1.356 1.00 0.00 N ATOM 1580 CA LEU B 25 3.140 0.701 1.680 1.00 0.00 C ATOM 1581 C LEU B 25 2.592 0.134 0.394 1.00 0.00 C ATOM 1582 O LEU B 25 1.601 0.606 -0.111 1.00 0.00 O ATOM 1583 CB LEU B 25 2.008 0.915 2.671 1.00 0.00 C ATOM 1584 CG LEU B 25 1.889 -0.321 3.542 1.00 0.00 C ATOM 1585 CD1 LEU B 25 1.638 -1.528 2.667 1.00 0.00 C ATOM 1586 CD2 LEU B 25 3.185 -0.543 4.294 1.00 0.00 C ATOM 0 H LEU B 25 3.129 2.794 1.285 1.00 0.00 H new ATOM 0 HA LEU B 25 3.864 0.018 2.124 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.204 1.794 3.286 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.072 1.098 2.143 1.00 0.00 H new ATOM 0 HG LEU B 25 1.067 -0.182 4.244 1.00 0.00 H new ATOM 0 HD11 LEU B 25 1.552 -2.418 3.291 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.713 -1.386 2.108 1.00 0.00 H new ATOM 0 HD13 LEU B 25 2.468 -1.652 1.971 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.096 -1.432 4.919 1.00 0.00 H new ATOM 0 HD22 LEU B 25 4.000 -0.680 3.583 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.394 0.323 4.923 1.00 0.00 H new ATOM 1598 N ARG B 26 3.224 -0.855 -0.161 1.00 0.00 N ATOM 1599 CA ARG B 26 2.751 -1.389 -1.413 1.00 0.00 C ATOM 1600 C ARG B 26 1.955 -2.647 -1.141 1.00 0.00 C ATOM 1601 O ARG B 26 2.282 -3.417 -0.275 1.00 0.00 O ATOM 1602 CB ARG B 26 3.973 -1.653 -2.277 1.00 0.00 C ATOM 1603 CG ARG B 26 3.558 -2.475 -3.432 1.00 0.00 C ATOM 1604 CD ARG B 26 4.774 -2.832 -4.284 1.00 0.00 C ATOM 1605 NE ARG B 26 4.540 -4.148 -4.930 1.00 0.00 N ATOM 1606 CZ ARG B 26 5.420 -4.635 -5.763 1.00 0.00 C ATOM 1607 NH1 ARG B 26 5.905 -3.882 -6.712 1.00 0.00 N ATOM 1608 NH2 ARG B 26 5.816 -5.873 -5.646 1.00 0.00 N ATOM 0 H ARG B 26 4.055 -1.306 0.221 1.00 0.00 H new ATOM 0 HA ARG B 26 2.090 -0.698 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG B 26 4.407 -0.713 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG B 26 4.741 -2.169 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG B 26 3.068 -3.384 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG B 26 2.830 -1.931 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG B 26 4.942 -2.066 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG B 26 5.670 -2.870 -3.664 1.00 0.00 H new ATOM 0 HE ARG B 26 3.690 -4.673 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG B 26 5.597 -2.914 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG B 26 6.592 -4.261 -7.363 1.00 0.00 H new ATOM 0 HH21 ARG B 26 5.438 -6.461 -4.903 1.00 0.00 H new ATOM 0 HH22 ARG B 26 6.503 -6.252 -6.297 1.00 0.00 H new ATOM 1622 N VAL B 27 0.901 -2.852 -1.855 1.00 0.00 N ATOM 1623 CA VAL B 27 0.084 -4.081 -1.606 1.00 0.00 C ATOM 1624 C VAL B 27 -0.179 -4.815 -2.922 1.00 0.00 C ATOM 1625 O VAL B 27 -0.931 -4.363 -3.757 1.00 0.00 O ATOM 1626 CB VAL B 27 -1.245 -3.696 -0.958 1.00 0.00 C ATOM 1627 CG1 VAL B 27 -1.990 -4.950 -0.539 1.00 0.00 C ATOM 1628 CG2 VAL B 27 -0.988 -2.873 0.291 1.00 0.00 C ATOM 0 H VAL B 27 0.561 -2.238 -2.595 1.00 0.00 H new ATOM 0 HA VAL B 27 0.635 -4.741 -0.936 1.00 0.00 H new ATOM 0 HB VAL B 27 -1.830 -3.124 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -2.938 -4.673 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -2.181 -5.570 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -1.387 -5.509 0.177 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -1.939 -2.601 0.749 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -0.399 -3.458 0.997 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -0.442 -1.968 0.025 1.00 0.00 H new ATOM 1638 N ILE B 28 0.407 -5.962 -3.115 1.00 0.00 N ATOM 1639 CA ILE B 28 0.152 -6.693 -4.369 1.00 0.00 C ATOM 1640 C ILE B 28 -1.208 -7.363 -4.256 1.00 0.00 C ATOM 1641 O ILE B 28 -1.315 -8.520 -3.879 1.00 0.00 O ATOM 1642 CB ILE B 28 1.242 -7.726 -4.582 1.00 0.00 C ATOM 1643 CG1 ILE B 28 1.499 -8.444 -3.272 1.00 0.00 C ATOM 1644 CG2 ILE B 28 2.512 -7.026 -5.052 1.00 0.00 C ATOM 1645 CD1 ILE B 28 2.144 -9.804 -3.543 1.00 0.00 C ATOM 0 H ILE B 28 1.045 -6.416 -2.461 1.00 0.00 H new ATOM 0 HA ILE B 28 0.155 -6.013 -5.221 1.00 0.00 H new ATOM 0 HB ILE B 28 0.934 -8.449 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.151 -7.842 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.563 -8.577 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.299 -7.765 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.315 -6.505 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE B 28 2.832 -6.308 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE B 28 2.326 -10.315 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE B 28 1.477 -10.407 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE B 28 3.090 -9.661 -4.066 1.00 0.00 H new ATOM 1657 N GLU B 29 -2.252 -6.624 -4.545 1.00 0.00 N ATOM 1658 CA GLU B 29 -3.626 -7.197 -4.425 1.00 0.00 C ATOM 1659 C GLU B 29 -4.279 -7.329 -5.804 1.00 0.00 C ATOM 1660 O GLU B 29 -5.174 -6.584 -6.149 1.00 0.00 O ATOM 1661 CB GLU B 29 -4.480 -6.278 -3.551 1.00 0.00 C ATOM 1662 CG GLU B 29 -5.418 -7.120 -2.683 1.00 0.00 C ATOM 1663 CD GLU B 29 -6.705 -6.337 -2.415 1.00 0.00 C ATOM 1664 OE1 GLU B 29 -6.637 -5.119 -2.387 1.00 0.00 O ATOM 1665 OE2 GLU B 29 -7.734 -6.968 -2.244 1.00 0.00 O ATOM 0 H GLU B 29 -2.211 -5.654 -4.857 1.00 0.00 H new ATOM 0 HA GLU B 29 -3.554 -8.187 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -3.840 -5.662 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -5.059 -5.599 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -5.649 -8.060 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -4.931 -7.373 -1.741 1.00 0.00 H new ATOM 1672 N SER B 30 -3.846 -8.274 -6.594 1.00 0.00 N ATOM 1673 CA SER B 30 -4.456 -8.449 -7.945 1.00 0.00 C ATOM 1674 C SER B 30 -5.768 -9.227 -7.810 1.00 0.00 C ATOM 1675 O SER B 30 -6.708 -9.018 -8.551 1.00 0.00 O ATOM 1676 CB SER B 30 -3.494 -9.234 -8.838 1.00 0.00 C ATOM 1677 OG SER B 30 -2.386 -8.410 -9.171 1.00 0.00 O ATOM 0 H SER B 30 -3.100 -8.930 -6.365 1.00 0.00 H new ATOM 0 HA SER B 30 -4.651 -7.472 -8.387 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.153 -10.132 -8.323 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.005 -9.560 -9.744 1.00 0.00 H new ATOM 0 HG SER B 30 -2.000 -8.709 -10.021 1.00 0.00 H new ATOM 1683 N GLY B 31 -5.829 -10.131 -6.870 1.00 0.00 N ATOM 1684 CA GLY B 31 -7.065 -10.943 -6.671 1.00 0.00 C ATOM 1685 C GLY B 31 -6.680 -12.246 -5.966 1.00 0.00 C ATOM 1686 O GLY B 31 -5.678 -12.302 -5.285 1.00 0.00 O ATOM 0 H GLY B 31 -5.068 -10.344 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -7.790 -10.389 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -7.537 -11.156 -7.630 1.00 0.00 H new ATOM 1690 N PRO B 32 -7.488 -13.253 -6.121 1.00 0.00 N ATOM 1691 CA PRO B 32 -7.240 -14.526 -5.532 1.00 0.00 C ATOM 1692 C PRO B 32 -6.646 -15.521 -6.536 1.00 0.00 C ATOM 1693 O PRO B 32 -7.333 -16.042 -7.392 1.00 0.00 O ATOM 1694 CB PRO B 32 -8.628 -14.992 -5.116 1.00 0.00 C ATOM 1695 CG PRO B 32 -9.594 -14.238 -6.066 1.00 0.00 C ATOM 1696 CD PRO B 32 -8.735 -13.186 -6.797 1.00 0.00 C ATOM 0 HA PRO B 32 -6.522 -14.463 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.732 -16.072 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -8.831 -14.752 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -10.058 -14.924 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -10.400 -13.763 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -8.631 -13.418 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -9.175 -12.191 -6.731 1.00 0.00 H new ATOM 1704 N HIS B 33 -5.383 -15.772 -6.440 1.00 0.00 N ATOM 1705 CA HIS B 33 -4.725 -16.727 -7.397 1.00 0.00 C ATOM 1706 C HIS B 33 -3.370 -17.174 -6.837 1.00 0.00 C ATOM 1707 O HIS B 33 -3.273 -18.151 -6.123 1.00 0.00 O ATOM 1708 CB HIS B 33 -4.508 -16.021 -8.742 1.00 0.00 C ATOM 1709 CG HIS B 33 -4.643 -14.554 -8.505 1.00 0.00 C ATOM 1710 ND1 HIS B 33 -3.991 -13.948 -7.453 1.00 0.00 N ATOM 1711 CD2 HIS B 33 -5.441 -13.594 -9.062 1.00 0.00 C ATOM 1712 CE1 HIS B 33 -4.413 -12.688 -7.392 1.00 0.00 C ATOM 1713 NE2 HIS B 33 -5.292 -12.407 -8.358 1.00 0.00 N ATOM 0 H HIS B 33 -4.762 -15.363 -5.742 1.00 0.00 H new ATOM 0 HA HIS B 33 -5.363 -17.600 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS B 33 -3.522 -16.255 -9.143 1.00 0.00 H new ATOM 0 HB3 HIS B 33 -5.240 -16.360 -9.475 1.00 0.00 H new ATOM 0 HD1 HIS B 33 -3.309 -14.386 -6.834 1.00 0.00 H new ATOM 0 HD2 HIS B 33 -6.086 -13.737 -9.916 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -4.084 -11.976 -6.649 1.00 0.00 H new ATOM 1721 N CYS B 34 -2.323 -16.459 -7.158 1.00 0.00 N ATOM 1722 CA CYS B 34 -0.973 -16.835 -6.650 1.00 0.00 C ATOM 1723 C CYS B 34 0.044 -15.752 -7.037 1.00 0.00 C ATOM 1724 O CYS B 34 1.006 -15.515 -6.334 1.00 0.00 O ATOM 1725 CB CYS B 34 -0.561 -18.180 -7.261 1.00 0.00 C ATOM 1726 SG CYS B 34 1.207 -18.475 -6.991 1.00 0.00 S ATOM 0 H CYS B 34 -2.346 -15.630 -7.751 1.00 0.00 H new ATOM 0 HA CYS B 34 -1.001 -16.923 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS B 34 -1.144 -18.985 -6.813 1.00 0.00 H new ATOM 0 HB3 CYS B 34 -0.779 -18.185 -8.329 1.00 0.00 H new ATOM 1731 N ALA B 35 -0.159 -15.090 -8.148 1.00 0.00 N ATOM 1732 CA ALA B 35 0.796 -14.029 -8.570 1.00 0.00 C ATOM 1733 C ALA B 35 0.843 -12.929 -7.516 1.00 0.00 C ATOM 1734 O ALA B 35 1.651 -12.949 -6.610 1.00 0.00 O ATOM 1735 CB ALA B 35 0.330 -13.434 -9.900 1.00 0.00 C ATOM 0 H ALA B 35 -0.946 -15.241 -8.779 1.00 0.00 H new ATOM 0 HA ALA B 35 1.790 -14.461 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA B 35 1.026 -12.656 -10.214 1.00 0.00 H new ATOM 0 HB2 ALA B 35 0.296 -14.218 -10.657 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.664 -13.004 -9.778 1.00 0.00 H new ATOM 1741 N ASN B 36 -0.012 -11.964 -7.646 1.00 0.00 N ATOM 1742 CA ASN B 36 -0.041 -10.843 -6.688 1.00 0.00 C ATOM 1743 C ASN B 36 -1.286 -10.922 -5.823 1.00 0.00 C ATOM 1744 O ASN B 36 -2.387 -11.061 -6.312 1.00 0.00 O ATOM 1745 CB ASN B 36 -0.107 -9.563 -7.466 1.00 0.00 C ATOM 1746 CG ASN B 36 0.925 -9.564 -8.560 1.00 0.00 C ATOM 1747 OD1 ASN B 36 1.930 -10.244 -8.482 1.00 0.00 O ATOM 1748 ND2 ASN B 36 0.715 -8.819 -9.584 1.00 0.00 N ATOM 0 H ASN B 36 -0.705 -11.906 -8.392 1.00 0.00 H new ATOM 0 HA ASN B 36 0.848 -10.887 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -1.102 -9.441 -7.895 1.00 0.00 H new ATOM 0 HB3 ASN B 36 0.059 -8.716 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN B 36 1.395 -8.793 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -0.132 -8.253 -9.638 1.00 0.00 H new ATOM 1755 N THR B 37 -1.116 -10.840 -4.548 1.00 0.00 N ATOM 1756 CA THR B 37 -2.286 -10.925 -3.639 1.00 0.00 C ATOM 1757 C THR B 37 -1.839 -10.790 -2.181 1.00 0.00 C ATOM 1758 O THR B 37 -2.582 -11.060 -1.257 1.00 0.00 O ATOM 1759 CB THR B 37 -2.883 -12.294 -3.843 1.00 0.00 C ATOM 1760 OG1 THR B 37 -4.098 -12.407 -3.112 1.00 0.00 O ATOM 1761 CG2 THR B 37 -1.868 -13.327 -3.354 1.00 0.00 C ATOM 0 H THR B 37 -0.215 -10.717 -4.087 1.00 0.00 H new ATOM 0 HA THR B 37 -3.000 -10.129 -3.852 1.00 0.00 H new ATOM 0 HB THR B 37 -3.107 -12.460 -4.897 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.856 -12.389 -3.733 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.275 -14.329 -3.490 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.945 -13.229 -3.926 1.00 0.00 H new ATOM 0 HG23 THR B 37 -1.660 -13.160 -2.297 1.00 0.00 H new ATOM 1769 N GLU B 38 -0.622 -10.407 -1.977 1.00 0.00 N ATOM 1770 CA GLU B 38 -0.092 -10.286 -0.579 1.00 0.00 C ATOM 1771 C GLU B 38 0.238 -8.825 -0.243 1.00 0.00 C ATOM 1772 O GLU B 38 -0.071 -7.911 -0.989 1.00 0.00 O ATOM 1773 CB GLU B 38 1.176 -11.131 -0.443 1.00 0.00 C ATOM 1774 CG GLU B 38 0.964 -12.197 0.633 1.00 0.00 C ATOM 1775 CD GLU B 38 2.220 -13.063 0.751 1.00 0.00 C ATOM 1776 OE1 GLU B 38 3.248 -12.652 0.240 1.00 0.00 O ATOM 1777 OE2 GLU B 38 2.131 -14.120 1.352 1.00 0.00 O ATOM 0 H GLU B 38 0.042 -10.168 -2.713 1.00 0.00 H new ATOM 0 HA GLU B 38 -0.857 -10.639 0.113 1.00 0.00 H new ATOM 0 HB2 GLU B 38 1.415 -11.603 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.022 -10.497 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.745 -11.724 1.590 1.00 0.00 H new ATOM 0 HG3 GLU B 38 0.104 -12.818 0.380 1.00 0.00 H new ATOM 1784 N ILE B 39 0.870 -8.587 0.882 1.00 0.00 N ATOM 1785 CA ILE B 39 1.207 -7.187 1.237 1.00 0.00 C ATOM 1786 C ILE B 39 2.586 -6.848 0.670 1.00 0.00 C ATOM 1787 O ILE B 39 3.357 -7.713 0.320 1.00 0.00 O ATOM 1788 CB ILE B 39 1.205 -7.017 2.769 1.00 0.00 C ATOM 1789 CG1 ILE B 39 -0.221 -6.725 3.242 1.00 0.00 C ATOM 1790 CG2 ILE B 39 2.124 -5.859 3.190 1.00 0.00 C ATOM 1791 CD1 ILE B 39 -0.586 -5.264 2.954 1.00 0.00 C ATOM 0 H ILE B 39 1.160 -9.295 1.556 1.00 0.00 H new ATOM 0 HA ILE B 39 0.464 -6.511 0.813 1.00 0.00 H new ATOM 0 HB ILE B 39 1.572 -7.938 3.223 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -0.923 -7.389 2.737 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -0.306 -6.925 4.310 1.00 0.00 H new ATOM 0 HG21 ILE B 39 2.107 -5.757 4.275 1.00 0.00 H new ATOM 0 HG22 ILE B 39 3.142 -6.065 2.861 1.00 0.00 H new ATOM 0 HG23 ILE B 39 1.775 -4.933 2.733 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -1.603 -5.069 3.295 1.00 0.00 H new ATOM 0 HD12 ILE B 39 0.106 -4.606 3.480 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -0.521 -5.077 1.882 1.00 0.00 H new ATOM 1803 N ILE B 40 2.893 -5.588 0.613 1.00 0.00 N ATOM 1804 CA ILE B 40 4.224 -5.127 0.108 1.00 0.00 C ATOM 1805 C ILE B 40 4.550 -3.826 0.850 1.00 0.00 C ATOM 1806 O ILE B 40 3.720 -3.268 1.539 1.00 0.00 O ATOM 1807 CB ILE B 40 4.191 -4.886 -1.415 1.00 0.00 C ATOM 1808 CG1 ILE B 40 3.486 -6.049 -2.126 1.00 0.00 C ATOM 1809 CG2 ILE B 40 5.605 -4.750 -1.976 1.00 0.00 C ATOM 1810 CD1 ILE B 40 4.432 -7.249 -2.262 1.00 0.00 C ATOM 0 H ILE B 40 2.267 -4.835 0.900 1.00 0.00 H new ATOM 0 HA ILE B 40 4.985 -5.886 0.289 1.00 0.00 H new ATOM 0 HB ILE B 40 3.644 -3.960 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE B 40 2.598 -6.341 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE B 40 3.150 -5.730 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE B 40 5.555 -4.581 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE B 40 6.106 -3.908 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE B 40 6.164 -5.664 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.915 -8.064 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE B 40 5.307 -6.958 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE B 40 4.746 -7.578 -1.272 1.00 0.00 H new ATOM 1822 N VAL B 41 5.741 -3.345 0.752 1.00 0.00 N ATOM 1823 CA VAL B 41 6.102 -2.128 1.492 1.00 0.00 C ATOM 1824 C VAL B 41 7.362 -1.521 0.923 1.00 0.00 C ATOM 1825 O VAL B 41 8.049 -2.079 0.076 1.00 0.00 O ATOM 1826 CB VAL B 41 6.322 -2.467 2.962 1.00 0.00 C ATOM 1827 CG1 VAL B 41 7.738 -2.974 3.168 1.00 0.00 C ATOM 1828 CG2 VAL B 41 6.095 -1.223 3.826 1.00 0.00 C ATOM 0 H VAL B 41 6.487 -3.747 0.185 1.00 0.00 H new ATOM 0 HA VAL B 41 5.289 -1.408 1.399 1.00 0.00 H new ATOM 0 HB VAL B 41 5.614 -3.242 3.254 1.00 0.00 H new ATOM 0 HG11 VAL B 41 7.889 -3.214 4.220 1.00 0.00 H new ATOM 0 HG12 VAL B 41 7.896 -3.868 2.565 1.00 0.00 H new ATOM 0 HG13 VAL B 41 8.448 -2.204 2.867 1.00 0.00 H new ATOM 0 HG21 VAL B 41 6.254 -1.474 4.875 1.00 0.00 H new ATOM 0 HG22 VAL B 41 6.795 -0.442 3.530 1.00 0.00 H new ATOM 0 HG23 VAL B 41 5.074 -0.866 3.689 1.00 0.00 H new ATOM 1838 N LYS B 42 7.674 -0.402 1.450 1.00 0.00 N ATOM 1839 CA LYS B 42 8.882 0.326 1.042 1.00 0.00 C ATOM 1840 C LYS B 42 9.516 0.886 2.296 1.00 0.00 C ATOM 1841 O LYS B 42 9.505 2.084 2.537 1.00 0.00 O ATOM 1842 CB LYS B 42 8.505 1.451 0.094 1.00 0.00 C ATOM 1843 CG LYS B 42 8.674 0.981 -1.350 1.00 0.00 C ATOM 1844 CD LYS B 42 9.666 1.894 -2.069 1.00 0.00 C ATOM 1845 CE LYS B 42 8.933 3.134 -2.580 1.00 0.00 C ATOM 1846 NZ LYS B 42 8.948 3.141 -4.070 1.00 0.00 N ATOM 0 H LYS B 42 7.125 0.061 2.174 1.00 0.00 H new ATOM 0 HA LYS B 42 9.580 -0.333 0.525 1.00 0.00 H new ATOM 0 HB2 LYS B 42 7.474 1.758 0.269 1.00 0.00 H new ATOM 0 HB3 LYS B 42 9.133 2.323 0.280 1.00 0.00 H new ATOM 0 HG2 LYS B 42 9.031 -0.049 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS B 42 7.713 0.995 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS B 42 10.468 2.185 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS B 42 10.130 1.363 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS B 42 7.906 3.138 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS B 42 9.411 4.036 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 8.449 3.985 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 9.932 3.156 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 8.473 2.287 -4.426 1.00 0.00 H new ATOM 1860 N LEU B 43 10.043 -0.006 3.089 1.00 0.00 N ATOM 1861 CA LEU B 43 10.718 0.372 4.371 1.00 0.00 C ATOM 1862 C LEU B 43 11.432 1.706 4.154 1.00 0.00 C ATOM 1863 O LEU B 43 12.288 1.786 3.292 1.00 0.00 O ATOM 1864 CB LEU B 43 11.766 -0.678 4.726 1.00 0.00 C ATOM 1865 CG LEU B 43 11.175 -2.098 4.798 1.00 0.00 C ATOM 1866 CD1 LEU B 43 11.167 -2.787 3.463 1.00 0.00 C ATOM 1867 CD2 LEU B 43 12.081 -2.942 5.629 1.00 0.00 C ATOM 0 H LEU B 43 10.035 -1.008 2.899 1.00 0.00 H new ATOM 0 HA LEU B 43 9.982 0.443 5.172 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.563 -0.657 3.983 1.00 0.00 H new ATOM 0 HB3 LEU B 43 12.218 -0.426 5.686 1.00 0.00 H new ATOM 0 HG LEU B 43 10.162 -1.993 5.186 1.00 0.00 H new ATOM 0 HD11 LEU B 43 10.740 -3.784 3.571 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.567 -2.210 2.759 1.00 0.00 H new ATOM 0 HD13 LEU B 43 12.188 -2.868 3.089 1.00 0.00 H new ATOM 0 HD21 LEU B 43 11.679 -3.953 5.692 1.00 0.00 H new ATOM 0 HD22 LEU B 43 13.070 -2.972 5.172 1.00 0.00 H new ATOM 0 HD23 LEU B 43 12.156 -2.518 6.630 1.00 0.00 H new ATOM 1879 N SER B 44 11.117 2.708 4.968 1.00 0.00 N ATOM 1880 CA SER B 44 11.751 4.082 4.870 1.00 0.00 C ATOM 1881 C SER B 44 12.803 4.166 3.752 1.00 0.00 C ATOM 1882 O SER B 44 12.540 3.830 2.613 1.00 0.00 O ATOM 1883 CB SER B 44 12.363 4.496 6.207 1.00 0.00 C ATOM 1884 OG SER B 44 12.486 5.910 6.248 1.00 0.00 O ATOM 0 H SER B 44 10.428 2.626 5.716 1.00 0.00 H new ATOM 0 HA SER B 44 10.952 4.778 4.615 1.00 0.00 H new ATOM 0 HB2 SER B 44 11.737 4.150 7.029 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.341 4.030 6.332 1.00 0.00 H new ATOM 0 HG SER B 44 12.877 6.180 7.105 1.00 0.00 H new ATOM 1890 N ASP B 45 13.971 4.666 4.036 1.00 0.00 N ATOM 1891 CA ASP B 45 14.990 4.793 2.966 1.00 0.00 C ATOM 1892 C ASP B 45 15.985 3.656 3.117 1.00 0.00 C ATOM 1893 O ASP B 45 17.182 3.856 3.068 1.00 0.00 O ATOM 1894 CB ASP B 45 15.732 6.129 3.082 1.00 0.00 C ATOM 1895 CG ASP B 45 15.360 6.858 4.379 1.00 0.00 C ATOM 1896 OD1 ASP B 45 15.915 6.512 5.409 1.00 0.00 O ATOM 1897 OD2 ASP B 45 14.529 7.749 4.316 1.00 0.00 O ATOM 0 H ASP B 45 14.261 4.990 4.959 1.00 0.00 H new ATOM 0 HA ASP B 45 14.499 4.753 1.993 1.00 0.00 H new ATOM 0 HB2 ASP B 45 16.808 5.954 3.055 1.00 0.00 H new ATOM 0 HB3 ASP B 45 15.490 6.758 2.226 1.00 0.00 H new ATOM 1902 N GLY B 46 15.508 2.460 3.332 1.00 0.00 N ATOM 1903 CA GLY B 46 16.451 1.336 3.517 1.00 0.00 C ATOM 1904 C GLY B 46 15.935 0.044 2.877 1.00 0.00 C ATOM 1905 O GLY B 46 16.660 -0.615 2.159 1.00 0.00 O ATOM 0 H GLY B 46 14.518 2.220 3.386 1.00 0.00 H new ATOM 0 HA2 GLY B 46 17.416 1.596 3.081 1.00 0.00 H new ATOM 0 HA3 GLY B 46 16.616 1.172 4.582 1.00 0.00 H new ATOM 1909 N ARG B 47 14.725 -0.379 3.163 1.00 0.00 N ATOM 1910 CA ARG B 47 14.265 -1.648 2.606 1.00 0.00 C ATOM 1911 C ARG B 47 12.962 -1.439 1.830 1.00 0.00 C ATOM 1912 O ARG B 47 12.184 -0.552 2.123 1.00 0.00 O ATOM 1913 CB ARG B 47 14.135 -2.534 3.784 1.00 0.00 C ATOM 1914 CG ARG B 47 15.434 -2.520 4.552 1.00 0.00 C ATOM 1915 CD ARG B 47 15.161 -1.856 5.878 1.00 0.00 C ATOM 1916 NE ARG B 47 14.972 -2.888 6.930 1.00 0.00 N ATOM 1917 CZ ARG B 47 15.412 -2.673 8.138 1.00 0.00 C ATOM 1918 NH1 ARG B 47 16.686 -2.792 8.397 1.00 0.00 N ATOM 1919 NH2 ARG B 47 14.580 -2.335 9.086 1.00 0.00 N ATOM 0 H ARG B 47 14.055 0.111 3.756 1.00 0.00 H new ATOM 0 HA ARG B 47 14.944 -2.090 1.877 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.317 -2.197 4.421 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.895 -3.549 3.468 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.805 -3.534 4.699 1.00 0.00 H new ATOM 0 HG3 ARG B 47 16.201 -1.977 4.000 1.00 0.00 H new ATOM 0 HD2 ARG B 47 15.990 -1.200 6.144 1.00 0.00 H new ATOM 0 HD3 ARG B 47 14.271 -1.231 5.805 1.00 0.00 H new ATOM 0 HE ARG B 47 14.499 -3.764 6.707 1.00 0.00 H new ATOM 0 HH11 ARG B 47 17.335 -3.053 7.655 1.00 0.00 H new ATOM 0 HH12 ARG B 47 17.032 -2.624 9.342 1.00 0.00 H new ATOM 0 HH21 ARG B 47 13.585 -2.239 8.881 1.00 0.00 H new ATOM 0 HH22 ARG B 47 14.925 -2.167 10.031 1.00 0.00 H new ATOM 1933 N GLU B 48 12.727 -2.202 0.799 1.00 0.00 N ATOM 1934 CA GLU B 48 11.492 -1.996 0.004 1.00 0.00 C ATOM 1935 C GLU B 48 11.216 -3.236 -0.844 1.00 0.00 C ATOM 1936 O GLU B 48 11.889 -3.488 -1.823 1.00 0.00 O ATOM 1937 CB GLU B 48 11.679 -0.799 -0.928 1.00 0.00 C ATOM 1938 CG GLU B 48 12.950 -0.026 -0.564 1.00 0.00 C ATOM 1939 CD GLU B 48 13.239 1.024 -1.637 1.00 0.00 C ATOM 1940 OE1 GLU B 48 13.616 0.636 -2.731 1.00 0.00 O ATOM 1941 OE2 GLU B 48 13.079 2.199 -1.348 1.00 0.00 O ATOM 0 H GLU B 48 13.335 -2.955 0.476 1.00 0.00 H new ATOM 0 HA GLU B 48 10.658 -1.815 0.682 1.00 0.00 H new ATOM 0 HB2 GLU B 48 11.738 -1.141 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU B 48 10.814 -0.140 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU B 48 12.829 0.455 0.406 1.00 0.00 H new ATOM 0 HG3 GLU B 48 13.792 -0.712 -0.477 1.00 0.00 H new ATOM 1948 N LEU B 49 10.260 -4.036 -0.462 1.00 0.00 N ATOM 1949 CA LEU B 49 9.993 -5.279 -1.247 1.00 0.00 C ATOM 1950 C LEU B 49 8.621 -5.858 -0.868 1.00 0.00 C ATOM 1951 O LEU B 49 7.708 -5.128 -0.569 1.00 0.00 O ATOM 1952 CB LEU B 49 11.105 -6.299 -0.955 1.00 0.00 C ATOM 1953 CG LEU B 49 11.710 -6.823 -2.267 1.00 0.00 C ATOM 1954 CD1 LEU B 49 10.615 -7.033 -3.319 1.00 0.00 C ATOM 1955 CD2 LEU B 49 12.732 -5.813 -2.793 1.00 0.00 C ATOM 0 H LEU B 49 9.658 -3.889 0.348 1.00 0.00 H new ATOM 0 HA LEU B 49 9.983 -5.048 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU B 49 11.883 -5.835 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 49 10.702 -7.130 -0.376 1.00 0.00 H new ATOM 0 HG LEU B 49 12.197 -7.779 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU B 49 11.063 -7.404 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU B 49 9.890 -7.758 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU B 49 10.113 -6.086 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU B 49 13.163 -6.182 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU B 49 12.239 -4.858 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU B 49 13.523 -5.678 -2.055 1.00 0.00 H new ATOM 1967 N CYS B 50 8.474 -7.162 -0.866 1.00 0.00 N ATOM 1968 CA CYS B 50 7.156 -7.781 -0.508 1.00 0.00 C ATOM 1969 C CYS B 50 6.958 -7.820 1.013 1.00 0.00 C ATOM 1970 O CYS B 50 7.794 -7.392 1.775 1.00 0.00 O ATOM 1971 CB CYS B 50 7.117 -9.212 -1.049 1.00 0.00 C ATOM 1972 SG CYS B 50 8.591 -10.097 -0.478 1.00 0.00 S ATOM 0 H CYS B 50 9.212 -7.827 -1.098 1.00 0.00 H new ATOM 0 HA CYS B 50 6.360 -7.179 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS B 50 6.216 -9.720 -0.706 1.00 0.00 H new ATOM 0 HB3 CYS B 50 7.082 -9.202 -2.138 1.00 0.00 H new ATOM 1977 N LEU B 51 5.826 -8.313 1.446 1.00 0.00 N ATOM 1978 CA LEU B 51 5.522 -8.379 2.908 1.00 0.00 C ATOM 1979 C LEU B 51 4.353 -9.352 3.136 1.00 0.00 C ATOM 1980 O LEU B 51 3.280 -9.202 2.561 1.00 0.00 O ATOM 1981 CB LEU B 51 5.115 -6.992 3.403 1.00 0.00 C ATOM 1982 CG LEU B 51 6.140 -6.493 4.422 1.00 0.00 C ATOM 1983 CD1 LEU B 51 5.692 -5.138 4.971 1.00 0.00 C ATOM 1984 CD2 LEU B 51 6.244 -7.495 5.573 1.00 0.00 C ATOM 0 H LEU B 51 5.090 -8.677 0.841 1.00 0.00 H new ATOM 0 HA LEU B 51 6.404 -8.721 3.450 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.053 -6.299 2.564 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.125 -7.032 3.857 1.00 0.00 H new ATOM 0 HG LEU B 51 7.112 -6.390 3.939 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.422 -4.781 5.698 1.00 0.00 H new ATOM 0 HD12 LEU B 51 5.614 -4.422 4.153 1.00 0.00 H new ATOM 0 HD13 LEU B 51 4.721 -5.244 5.454 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.975 -7.140 6.300 1.00 0.00 H new ATOM 0 HD22 LEU B 51 5.272 -7.597 6.056 1.00 0.00 H new ATOM 0 HD23 LEU B 51 6.560 -8.463 5.185 1.00 0.00 H new ATOM 1996 N ASP B 52 4.542 -10.350 3.957 1.00 0.00 N ATOM 1997 CA ASP B 52 3.440 -11.322 4.203 1.00 0.00 C ATOM 1998 C ASP B 52 2.528 -10.822 5.338 1.00 0.00 C ATOM 1999 O ASP B 52 1.321 -10.829 5.195 1.00 0.00 O ATOM 2000 CB ASP B 52 4.031 -12.699 4.548 1.00 0.00 C ATOM 2001 CG ASP B 52 3.010 -13.537 5.325 1.00 0.00 C ATOM 2002 OD1 ASP B 52 2.225 -14.221 4.687 1.00 0.00 O ATOM 2003 OD2 ASP B 52 3.032 -13.482 6.544 1.00 0.00 O ATOM 0 H ASP B 52 5.407 -10.533 4.465 1.00 0.00 H new ATOM 0 HA ASP B 52 2.837 -11.415 3.300 1.00 0.00 H new ATOM 0 HB2 ASP B 52 4.318 -13.219 3.634 1.00 0.00 H new ATOM 0 HB3 ASP B 52 4.937 -12.575 5.141 1.00 0.00 H new ATOM 2076 N VAL B 58 -4.768 -8.639 3.933 1.00 0.00 N ATOM 2077 CA VAL B 58 -4.043 -9.462 3.033 1.00 0.00 C ATOM 2078 C VAL B 58 -3.952 -10.860 3.627 1.00 0.00 C ATOM 2079 O VAL B 58 -3.855 -11.852 2.929 1.00 0.00 O ATOM 2080 CB VAL B 58 -2.713 -8.763 2.870 1.00 0.00 C ATOM 2081 CG1 VAL B 58 -1.627 -9.526 3.587 1.00 0.00 C ATOM 2082 CG2 VAL B 58 -2.361 -8.611 1.393 1.00 0.00 C ATOM 0 HA VAL B 58 -4.501 -9.594 2.053 1.00 0.00 H new ATOM 0 HB VAL B 58 -2.794 -7.769 3.310 1.00 0.00 H new ATOM 0 HG11 VAL B 58 -0.675 -9.010 3.460 1.00 0.00 H new ATOM 0 HG12 VAL B 58 -1.867 -9.589 4.648 1.00 0.00 H new ATOM 0 HG13 VAL B 58 -1.553 -10.531 3.171 1.00 0.00 H new ATOM 0 HG21 VAL B 58 -1.400 -8.105 1.298 1.00 0.00 H new ATOM 0 HG22 VAL B 58 -2.300 -9.596 0.930 1.00 0.00 H new ATOM 0 HG23 VAL B 58 -3.131 -8.023 0.894 1.00 0.00 H new ATOM 2092 N LYS B 59 -4.008 -10.933 4.925 1.00 0.00 N ATOM 2093 CA LYS B 59 -3.952 -12.248 5.588 1.00 0.00 C ATOM 2094 C LYS B 59 -5.271 -12.963 5.339 1.00 0.00 C ATOM 2095 O LYS B 59 -5.344 -14.175 5.309 1.00 0.00 O ATOM 2096 CB LYS B 59 -3.731 -12.065 7.091 1.00 0.00 C ATOM 2097 CG LYS B 59 -3.590 -13.434 7.759 1.00 0.00 C ATOM 2098 CD LYS B 59 -4.205 -13.384 9.159 1.00 0.00 C ATOM 2099 CE LYS B 59 -3.148 -13.764 10.197 1.00 0.00 C ATOM 2100 NZ LYS B 59 -3.747 -13.707 11.560 1.00 0.00 N ATOM 0 H LYS B 59 -4.090 -10.132 5.552 1.00 0.00 H new ATOM 0 HA LYS B 59 -3.126 -12.836 5.188 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -2.836 -11.469 7.267 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -4.568 -11.520 7.528 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -4.087 -14.196 7.159 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -2.538 -13.713 7.822 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -4.587 -12.384 9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -5.052 -14.068 9.220 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -2.770 -14.766 9.996 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -2.299 -13.084 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -3.028 -13.965 12.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -4.088 -12.743 11.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -4.544 -14.373 11.617 1.00 0.00 H new