USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -158:sc= 0.445 USER MOD Set 1.2: A 71 CYS SG : rot -90:sc= 0.16 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -2.48! X(o=-1.4!,f=-0.92) USER MOD Set 1.4: A 88 CYS SG : rot -32:sc= 0.485 USER MOD Set 2.1: A 40 CYS SG : rot 167:sc= -2.02 USER MOD Set 2.2: A 43 CYS SG : rot -65:sc= -1.52 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -3.61! X(o=-15!,f=-15) USER MOD Set 2.4: A 57 MET CE :methyl 170:sc= -3.71 (180deg=-1.82) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -4.27 X(o=-15,f=-15) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -1.64! C(o=-2.5!,f=-3.5!) USER MOD Set 3.2: A 52 HIS : no HD1:sc= -0.888 K(o=-2.5,f=-3.4!) USER MOD Set 4.1: A 13 CYS SG : rot -169:sc= 0.604 USER MOD Set 4.2: A 15 CYS SG : rot -62:sc= 0.632 USER MOD Set 4.3: A 28 HIS : no HD1:sc= -0.96 K(o=-1.4,f=-2.1) USER MOD Set 4.4: A 32 HIS : no HD1:sc= -1.71 K(o=-1.4,f=-2) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.791 K(o=-0.79,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00192 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.29) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc=-0.00582 (180deg=-0.143) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.5) USER MOD Single : A 29 MET CE :methyl 136:sc= -0.306 (180deg=-1.56!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 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 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00828) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.00704 (180deg=-0.13) USER MOD Single : A 76 MET CE :methyl -147:sc= -0.173 (180deg=-2.59!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-2.3) USER MOD Single : A 86 THR OG1 : rot 73:sc= 0.897 USER MOD Single : A 87 SER OG : rot -42:sc= 0.94 USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.537 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -0.048 (180deg=-0.316) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.955 6.988 16.833 1.00 0.00 N ATOM 120 CA TYR A 11 3.404 6.842 16.918 1.00 0.00 C ATOM 121 C TYR A 11 4.054 7.052 15.554 1.00 0.00 C ATOM 122 O TYR A 11 3.869 6.270 14.622 1.00 0.00 O ATOM 123 CB TYR A 11 3.767 5.459 17.461 1.00 0.00 C ATOM 124 CG TYR A 11 3.138 5.149 18.800 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.757 5.100 18.947 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.924 4.905 19.919 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.178 4.818 20.169 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.354 4.621 21.145 1.00 0.00 C ATOM 129 CZ TYR A 11 1.981 4.580 21.265 1.00 0.00 C ATOM 130 OH TYR A 11 1.408 4.297 22.484 1.00 0.00 O ATOM 0 HA TYR A 11 3.781 7.604 17.601 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.458 4.702 16.740 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.851 5.387 17.553 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.125 5.286 18.091 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.000 4.938 19.829 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.103 4.784 20.266 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.980 4.432 22.004 1.00 0.00 H new ATOM 0 HH TYR A 11 2.112 4.154 23.151 1.00 0.00 H new ATOM 140 N PRO A 12 4.835 8.136 15.434 1.00 0.00 N ATOM 141 CA PRO A 12 5.531 8.475 14.188 1.00 0.00 C ATOM 142 C PRO A 12 6.662 7.503 13.872 1.00 0.00 C ATOM 143 O PRO A 12 7.597 7.346 14.658 1.00 0.00 O ATOM 144 CB PRO A 12 6.089 9.874 14.464 1.00 0.00 C ATOM 145 CG PRO A 12 6.224 9.942 15.946 1.00 0.00 C ATOM 146 CD PRO A 12 5.101 9.112 16.503 1.00 0.00 C ATOM 0 HA PRO A 12 4.868 8.428 13.324 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.050 10.021 13.972 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.418 10.648 14.092 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.191 9.556 16.268 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.159 10.972 16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.387 8.621 17.433 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.222 9.719 16.720 1.00 0.00 H new ATOM 154 N CYS A 13 6.571 6.852 12.718 1.00 0.00 N ATOM 155 CA CYS A 13 7.587 5.895 12.297 1.00 0.00 C ATOM 156 C CYS A 13 8.729 6.598 11.569 1.00 0.00 C ATOM 157 O CYS A 13 8.569 7.714 11.076 1.00 0.00 O ATOM 158 CB CYS A 13 6.969 4.829 11.390 1.00 0.00 C ATOM 159 SG CYS A 13 8.008 3.350 11.166 1.00 0.00 S ATOM 0 H CYS A 13 5.803 6.970 12.057 1.00 0.00 H new ATOM 0 HA CYS A 13 7.989 5.415 13.189 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.008 4.525 11.806 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.768 5.270 10.414 1.00 0.00 H new ATOM 0 HG CYS A 13 7.518 2.616 10.211 1.00 0.00 H new ATOM 164 N GLN A 14 9.880 5.936 11.506 1.00 0.00 N ATOM 165 CA GLN A 14 11.048 6.498 10.838 1.00 0.00 C ATOM 166 C GLN A 14 10.731 6.848 9.388 1.00 0.00 C ATOM 167 O GLN A 14 11.153 7.888 8.883 1.00 0.00 O ATOM 168 CB GLN A 14 12.217 5.512 10.894 1.00 0.00 C ATOM 169 CG GLN A 14 13.540 6.112 10.448 1.00 0.00 C ATOM 170 CD GLN A 14 14.673 5.105 10.468 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.696 5.316 11.120 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.497 4.001 9.750 1.00 0.00 N ATOM 0 H GLN A 14 10.029 5.011 11.909 1.00 0.00 H new ATOM 0 HA GLN A 14 11.328 7.413 11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.321 5.142 11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.987 4.652 10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.432 6.512 9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.792 6.950 11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.633 3.867 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.226 3.288 9.724 1.00 0.00 H new ATOM 181 N CYS A 15 9.985 5.972 8.723 1.00 0.00 N ATOM 182 CA CYS A 15 9.611 6.187 7.331 1.00 0.00 C ATOM 183 C CYS A 15 8.680 7.389 7.197 1.00 0.00 C ATOM 184 O CYS A 15 8.686 8.081 6.180 1.00 0.00 O ATOM 185 CB CYS A 15 8.934 4.938 6.763 1.00 0.00 C ATOM 186 SG CYS A 15 7.459 4.406 7.691 1.00 0.00 S ATOM 0 H CYS A 15 9.628 5.106 9.126 1.00 0.00 H new ATOM 0 HA CYS A 15 10.520 6.388 6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.650 5.130 5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.656 4.121 6.749 1.00 0.00 H new ATOM 0 HG CYS A 15 7.798 4.103 8.909 1.00 0.00 H new ATOM 191 N GLY A 16 7.882 7.630 8.232 1.00 0.00 N ATOM 192 CA GLY A 16 6.957 8.748 8.210 1.00 0.00 C ATOM 193 C GLY A 16 5.552 8.347 8.615 1.00 0.00 C ATOM 194 O GLY A 16 4.779 9.171 9.105 1.00 0.00 O ATOM 0 H GLY A 16 7.859 7.071 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.317 9.527 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.934 9.177 7.208 1.00 0.00 H new ATOM 198 N LYS A 17 5.219 7.077 8.409 1.00 0.00 N ATOM 199 CA LYS A 17 3.898 6.567 8.755 1.00 0.00 C ATOM 200 C LYS A 17 3.596 6.795 10.233 1.00 0.00 C ATOM 201 O LYS A 17 4.445 7.279 10.982 1.00 0.00 O ATOM 202 CB LYS A 17 3.804 5.074 8.430 1.00 0.00 C ATOM 203 CG LYS A 17 4.002 4.759 6.957 1.00 0.00 C ATOM 204 CD LYS A 17 3.956 3.263 6.696 1.00 0.00 C ATOM 205 CE LYS A 17 2.542 2.794 6.392 1.00 0.00 C ATOM 206 NZ LYS A 17 2.188 2.987 4.959 1.00 0.00 N ATOM 0 H LYS A 17 5.846 6.382 8.004 1.00 0.00 H new ATOM 0 HA LYS A 17 3.161 7.110 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.552 4.536 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.829 4.703 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.229 5.256 6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.960 5.158 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.610 3.018 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.339 2.729 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.446 1.739 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.836 3.341 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.216 2.655 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.255 3.996 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.845 2.445 4.363 1.00 0.00 H new ATOM 220 N SER A 18 2.383 6.443 10.646 1.00 0.00 N ATOM 221 CA SER A 18 1.969 6.612 12.034 1.00 0.00 C ATOM 222 C SER A 18 0.979 5.525 12.442 1.00 0.00 C ATOM 223 O SER A 18 -0.123 5.438 11.901 1.00 0.00 O ATOM 224 CB SER A 18 1.340 7.992 12.236 1.00 0.00 C ATOM 225 OG SER A 18 2.250 9.022 11.894 1.00 0.00 O ATOM 0 H SER A 18 1.669 6.039 10.039 1.00 0.00 H new ATOM 0 HA SER A 18 2.854 6.528 12.664 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.442 8.079 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.031 8.106 13.275 1.00 0.00 H new ATOM 0 HG SER A 18 1.824 9.894 12.030 1.00 0.00 H new ATOM 231 N PHE A 19 1.381 4.697 13.401 1.00 0.00 N ATOM 232 CA PHE A 19 0.531 3.614 13.882 1.00 0.00 C ATOM 233 C PHE A 19 -0.205 4.025 15.154 1.00 0.00 C ATOM 234 O PHE A 19 0.057 5.085 15.723 1.00 0.00 O ATOM 235 CB PHE A 19 1.367 2.360 14.146 1.00 0.00 C ATOM 236 CG PHE A 19 2.211 1.945 12.975 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.334 2.675 12.620 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.882 0.825 12.229 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.112 2.296 11.542 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.656 0.440 11.151 1.00 0.00 C ATOM 241 CZ PHE A 19 3.773 1.176 10.807 1.00 0.00 C ATOM 0 H PHE A 19 2.290 4.755 13.860 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.207 3.395 13.110 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.014 2.538 15.005 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.702 1.539 14.413 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.605 3.550 13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.010 0.246 12.493 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.984 2.875 11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.388 -0.435 10.578 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.380 0.877 9.965 1.00 0.00 H new ATOM 251 N THR A 20 -1.130 3.178 15.594 1.00 0.00 N ATOM 252 CA THR A 20 -1.907 3.452 16.797 1.00 0.00 C ATOM 253 C THR A 20 -1.229 2.872 18.033 1.00 0.00 C ATOM 254 O THR A 20 -1.421 3.363 19.146 1.00 0.00 O ATOM 255 CB THR A 20 -3.332 2.877 16.689 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.953 3.331 15.482 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.174 3.290 17.886 1.00 0.00 C ATOM 0 H THR A 20 -1.360 2.296 15.135 1.00 0.00 H new ATOM 0 HA THR A 20 -1.968 4.536 16.894 1.00 0.00 H new ATOM 0 HB THR A 20 -3.261 1.789 16.673 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.858 2.960 15.420 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.176 2.872 17.788 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.714 2.917 18.801 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.237 4.377 17.929 1.00 0.00 H new ATOM 265 N HIS A 21 -0.435 1.826 17.831 1.00 0.00 N ATOM 266 CA HIS A 21 0.273 1.179 18.930 1.00 0.00 C ATOM 267 C HIS A 21 1.782 1.229 18.709 1.00 0.00 C ATOM 268 O HIS A 21 2.250 1.339 17.576 1.00 0.00 O ATOM 269 CB HIS A 21 -0.185 -0.272 19.077 1.00 0.00 C ATOM 270 CG HIS A 21 -1.374 -0.437 19.972 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.492 0.195 21.192 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.504 -1.167 19.818 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.642 -0.140 21.750 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.275 -0.966 20.936 1.00 0.00 N ATOM 0 H HIS A 21 -0.265 1.408 16.916 1.00 0.00 H new ATOM 0 HA HIS A 21 0.040 1.720 19.847 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.425 -0.670 18.091 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.640 -0.867 19.469 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.753 -1.791 18.973 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.003 0.203 22.708 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.188 -1.386 21.110 1.00 0.00 H new ATOM 282 N LYS A 22 2.538 1.148 19.798 1.00 0.00 N ATOM 283 CA LYS A 22 3.994 1.184 19.724 1.00 0.00 C ATOM 284 C LYS A 22 4.535 -0.072 19.048 1.00 0.00 C ATOM 285 O LYS A 22 5.499 -0.011 18.286 1.00 0.00 O ATOM 286 CB LYS A 22 4.593 1.319 21.126 1.00 0.00 C ATOM 287 CG LYS A 22 6.061 1.710 21.125 1.00 0.00 C ATOM 288 CD LYS A 22 6.420 2.533 22.351 1.00 0.00 C ATOM 289 CE LYS A 22 6.864 1.647 23.505 1.00 0.00 C ATOM 290 NZ LYS A 22 8.216 1.070 23.272 1.00 0.00 N ATOM 0 H LYS A 22 2.166 1.057 20.744 1.00 0.00 H new ATOM 0 HA LYS A 22 4.282 2.050 19.127 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.027 2.065 21.683 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.478 0.372 21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.678 0.812 21.095 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.286 2.281 20.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.217 3.233 22.100 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.559 3.127 22.657 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.871 2.228 24.427 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.144 0.841 23.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.604 0.720 24.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.146 0.283 22.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.845 1.803 22.886 1.00 0.00 H new ATOM 304 N SER A 23 3.906 -1.209 19.331 1.00 0.00 N ATOM 305 CA SER A 23 4.327 -2.479 18.752 1.00 0.00 C ATOM 306 C SER A 23 4.164 -2.465 17.235 1.00 0.00 C ATOM 307 O SER A 23 5.043 -2.918 16.502 1.00 0.00 O ATOM 308 CB SER A 23 3.517 -3.630 19.352 1.00 0.00 C ATOM 309 OG SER A 23 4.264 -4.834 19.351 1.00 0.00 O ATOM 0 H SER A 23 3.104 -1.276 19.957 1.00 0.00 H new ATOM 0 HA SER A 23 5.382 -2.625 18.986 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.225 -3.380 20.372 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.598 -3.768 18.782 1.00 0.00 H new ATOM 0 HG SER A 23 3.725 -5.554 19.741 1.00 0.00 H new ATOM 315 N GLN A 24 3.033 -1.942 16.773 1.00 0.00 N ATOM 316 CA GLN A 24 2.754 -1.869 15.343 1.00 0.00 C ATOM 317 C GLN A 24 3.787 -1.003 14.630 1.00 0.00 C ATOM 318 O GLN A 24 4.146 -1.266 13.483 1.00 0.00 O ATOM 319 CB GLN A 24 1.350 -1.310 15.104 1.00 0.00 C ATOM 320 CG GLN A 24 0.247 -2.342 15.274 1.00 0.00 C ATOM 321 CD GLN A 24 0.271 -3.404 14.193 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.471 -3.104 13.015 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.065 -4.656 14.587 1.00 0.00 N ATOM 0 H GLN A 24 2.296 -1.563 17.367 1.00 0.00 H new ATOM 0 HA GLN A 24 2.810 -2.878 14.936 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.174 -0.485 15.795 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.299 -0.898 14.096 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.348 -2.819 16.249 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.720 -1.840 15.263 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.097 -4.860 15.573 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.069 -5.413 13.903 1.00 0.00 H new ATOM 332 N ARG A 25 4.261 0.031 15.318 1.00 0.00 N ATOM 333 CA ARG A 25 5.252 0.937 14.750 1.00 0.00 C ATOM 334 C ARG A 25 6.656 0.352 14.871 1.00 0.00 C ATOM 335 O ARG A 25 7.505 0.567 14.006 1.00 0.00 O ATOM 336 CB ARG A 25 5.192 2.296 15.449 1.00 0.00 C ATOM 337 CG ARG A 25 6.297 3.249 15.023 1.00 0.00 C ATOM 338 CD ARG A 25 7.520 3.120 15.918 1.00 0.00 C ATOM 339 NE ARG A 25 7.259 3.594 17.274 1.00 0.00 N ATOM 340 CZ ARG A 25 7.366 4.866 17.642 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.728 5.786 16.758 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.112 5.219 18.895 1.00 0.00 N ATOM 0 H ARG A 25 3.975 0.262 16.269 1.00 0.00 H new ATOM 0 HA ARG A 25 5.022 1.070 13.693 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.226 2.758 15.244 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.250 2.144 16.527 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.578 3.044 13.990 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.928 4.274 15.055 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.835 2.077 15.953 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.345 3.688 15.488 1.00 0.00 H new ATOM 0 HE ARG A 25 6.979 2.911 17.978 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.925 5.517 15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.810 6.762 17.042 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.834 4.514 19.577 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.195 6.196 19.176 1.00 0.00 H new ATOM 356 N ASP A 26 6.892 -0.387 15.949 1.00 0.00 N ATOM 357 CA ASP A 26 8.193 -1.004 16.183 1.00 0.00 C ATOM 358 C ASP A 26 8.541 -1.980 15.064 1.00 0.00 C ATOM 359 O ASP A 26 9.599 -1.877 14.444 1.00 0.00 O ATOM 360 CB ASP A 26 8.202 -1.728 17.530 1.00 0.00 C ATOM 361 CG ASP A 26 9.586 -1.786 18.147 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.313 -0.773 18.068 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.943 -2.843 18.708 1.00 0.00 O ATOM 0 H ASP A 26 6.200 -0.574 16.675 1.00 0.00 H new ATOM 0 HA ASP A 26 8.945 -0.215 16.198 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.523 -1.222 18.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.824 -2.742 17.397 1.00 0.00 H new ATOM 368 N ARG A 27 7.644 -2.928 14.813 1.00 0.00 N ATOM 369 CA ARG A 27 7.857 -3.924 13.770 1.00 0.00 C ATOM 370 C ARG A 27 8.214 -3.257 12.445 1.00 0.00 C ATOM 371 O ARG A 27 8.976 -3.804 11.647 1.00 0.00 O ATOM 372 CB ARG A 27 6.607 -4.789 13.597 1.00 0.00 C ATOM 373 CG ARG A 27 5.470 -4.078 12.882 1.00 0.00 C ATOM 374 CD ARG A 27 4.251 -4.977 12.745 1.00 0.00 C ATOM 375 NE ARG A 27 4.265 -5.732 11.495 1.00 0.00 N ATOM 376 CZ ARG A 27 3.810 -5.254 10.342 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.307 -4.029 10.281 1.00 0.00 N ATOM 378 NH2 ARG A 27 3.857 -6.003 9.248 1.00 0.00 N ATOM 0 H ARG A 27 6.763 -3.027 15.318 1.00 0.00 H new ATOM 0 HA ARG A 27 8.690 -4.558 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.871 -5.687 13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.261 -5.114 14.578 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.199 -3.177 13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.802 -3.760 11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.215 -5.669 13.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.346 -4.371 12.792 1.00 0.00 H new ATOM 0 HE ARG A 27 4.645 -6.678 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.269 -3.451 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.958 -3.664 9.394 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.243 -6.946 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.508 -5.636 8.363 1.00 0.00 H new ATOM 392 N HIS A 28 7.659 -2.071 12.217 1.00 0.00 N ATOM 393 CA HIS A 28 7.918 -1.328 10.989 1.00 0.00 C ATOM 394 C HIS A 28 9.235 -0.563 11.084 1.00 0.00 C ATOM 395 O HIS A 28 9.814 -0.177 10.069 1.00 0.00 O ATOM 396 CB HIS A 28 6.771 -0.359 10.702 1.00 0.00 C ATOM 397 CG HIS A 28 6.552 -0.105 9.242 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.888 1.082 8.626 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.029 -0.895 8.275 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.579 1.012 7.343 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.057 -0.177 7.105 1.00 0.00 N ATOM 0 H HIS A 28 7.027 -1.604 12.867 1.00 0.00 H new ATOM 0 HA HIS A 28 7.992 -2.043 10.170 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.853 -0.757 11.135 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.974 0.589 11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.659 -1.902 8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.728 1.794 6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.728 -0.509 6.198 1.00 0.00 H new ATOM 409 N MET A 29 9.701 -0.348 12.310 1.00 0.00 N ATOM 410 CA MET A 29 10.950 0.370 12.537 1.00 0.00 C ATOM 411 C MET A 29 12.143 -0.578 12.470 1.00 0.00 C ATOM 412 O MET A 29 13.238 -0.186 12.067 1.00 0.00 O ATOM 413 CB MET A 29 10.919 1.073 13.895 1.00 0.00 C ATOM 414 CG MET A 29 10.449 2.517 13.821 1.00 0.00 C ATOM 415 SD MET A 29 11.003 3.501 15.227 1.00 0.00 S ATOM 416 CE MET A 29 12.780 3.366 15.055 1.00 0.00 C ATOM 0 H MET A 29 9.233 -0.660 13.161 1.00 0.00 H new ATOM 0 HA MET A 29 11.058 1.117 11.751 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.262 0.520 14.566 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.917 1.046 14.332 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.817 2.968 12.899 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.360 2.539 13.774 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.236 4.344 15.210 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.165 2.665 15.795 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.023 3.007 14.055 1.00 0.00 H new ATOM 426 N SER A 30 11.923 -1.828 12.867 1.00 0.00 N ATOM 427 CA SER A 30 12.981 -2.831 12.855 1.00 0.00 C ATOM 428 C SER A 30 13.331 -3.235 11.426 1.00 0.00 C ATOM 429 O SER A 30 14.486 -3.526 11.118 1.00 0.00 O ATOM 430 CB SER A 30 12.554 -4.063 13.656 1.00 0.00 C ATOM 431 OG SER A 30 13.675 -4.706 14.238 1.00 0.00 O ATOM 0 H SER A 30 11.022 -2.170 13.201 1.00 0.00 H new ATOM 0 HA SER A 30 13.866 -2.395 13.317 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.854 -3.768 14.437 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.029 -4.761 13.004 1.00 0.00 H new ATOM 0 HG SER A 30 13.376 -5.489 14.746 1.00 0.00 H new ATOM 437 N MET A 31 12.324 -3.250 10.559 1.00 0.00 N ATOM 438 CA MET A 31 12.525 -3.617 9.162 1.00 0.00 C ATOM 439 C MET A 31 13.373 -2.573 8.442 1.00 0.00 C ATOM 440 O MET A 31 14.126 -2.897 7.523 1.00 0.00 O ATOM 441 CB MET A 31 11.177 -3.772 8.455 1.00 0.00 C ATOM 442 CG MET A 31 10.558 -2.451 8.030 1.00 0.00 C ATOM 443 SD MET A 31 8.776 -2.567 7.783 1.00 0.00 S ATOM 444 CE MET A 31 8.669 -2.405 6.002 1.00 0.00 C ATOM 0 H MET A 31 11.361 -3.013 10.799 1.00 0.00 H new ATOM 0 HA MET A 31 13.054 -4.570 9.135 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.308 -4.402 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.485 -4.291 9.119 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.768 -1.696 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.028 -2.115 7.106 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.625 -2.457 5.694 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.089 -1.446 5.698 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.228 -3.213 5.529 1.00 0.00 H new ATOM 454 N HIS A 32 13.246 -1.319 8.865 1.00 0.00 N ATOM 455 CA HIS A 32 14.001 -0.228 8.260 1.00 0.00 C ATOM 456 C HIS A 32 15.501 -0.449 8.425 1.00 0.00 C ATOM 457 O HIS A 32 16.274 -0.262 7.484 1.00 0.00 O ATOM 458 CB HIS A 32 13.599 1.107 8.887 1.00 0.00 C ATOM 459 CG HIS A 32 12.199 1.526 8.558 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.582 1.219 7.364 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.293 2.230 9.277 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.359 1.717 7.362 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.159 2.336 8.511 1.00 0.00 N ATOM 0 H HIS A 32 12.627 -1.034 9.624 1.00 0.00 H new ATOM 0 HA HIS A 32 13.770 -0.205 7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.703 1.037 9.970 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.290 1.880 8.550 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.436 2.633 10.269 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.644 1.632 6.557 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.301 2.815 8.785 1.00 0.00 H new ATOM 582 N CYS A 40 16.509 -15.561 6.526 1.00 0.00 N ATOM 583 CA CYS A 40 16.082 -16.792 5.872 1.00 0.00 C ATOM 584 C CYS A 40 16.573 -16.839 4.428 1.00 0.00 C ATOM 585 O CYS A 40 16.061 -16.128 3.564 1.00 0.00 O ATOM 586 CB CYS A 40 14.557 -16.911 5.909 1.00 0.00 C ATOM 587 SG CYS A 40 13.907 -18.389 5.066 1.00 0.00 S ATOM 0 HA CYS A 40 16.518 -17.632 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.229 -16.925 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.123 -16.023 5.450 1.00 0.00 H new ATOM 0 HG CYS A 40 12.658 -18.556 5.384 1.00 0.00 H new ATOM 592 N GLY A 41 17.569 -17.683 4.174 1.00 0.00 N ATOM 593 CA GLY A 41 18.112 -17.808 2.835 1.00 0.00 C ATOM 594 C GLY A 41 17.270 -18.704 1.949 1.00 0.00 C ATOM 595 O GLY A 41 17.772 -19.293 0.992 1.00 0.00 O ATOM 0 H GLY A 41 18.009 -18.282 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.185 -16.819 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.125 -18.207 2.893 1.00 0.00 H new ATOM 599 N VAL A 42 15.984 -18.809 2.268 1.00 0.00 N ATOM 600 CA VAL A 42 15.069 -19.641 1.494 1.00 0.00 C ATOM 601 C VAL A 42 14.001 -18.795 0.811 1.00 0.00 C ATOM 602 O VAL A 42 13.670 -19.015 -0.354 1.00 0.00 O ATOM 603 CB VAL A 42 14.382 -20.696 2.382 1.00 0.00 C ATOM 604 CG1 VAL A 42 13.464 -21.578 1.550 1.00 0.00 C ATOM 605 CG2 VAL A 42 15.420 -21.533 3.114 1.00 0.00 C ATOM 0 H VAL A 42 15.552 -18.328 3.057 1.00 0.00 H new ATOM 0 HA VAL A 42 15.667 -20.148 0.736 1.00 0.00 H new ATOM 0 HB VAL A 42 13.774 -20.180 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.988 -22.317 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.699 -20.963 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.046 -22.087 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.917 -22.273 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.056 -22.041 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.032 -20.886 3.742 1.00 0.00 H new ATOM 615 N CYS A 43 13.465 -17.824 1.543 1.00 0.00 N ATOM 616 CA CYS A 43 12.434 -16.943 1.009 1.00 0.00 C ATOM 617 C CYS A 43 12.915 -15.495 0.984 1.00 0.00 C ATOM 618 O CYS A 43 12.618 -14.746 0.054 1.00 0.00 O ATOM 619 CB CYS A 43 11.157 -17.053 1.844 1.00 0.00 C ATOM 620 SG CYS A 43 11.265 -16.253 3.477 1.00 0.00 S ATOM 0 H CYS A 43 13.728 -17.628 2.509 1.00 0.00 H new ATOM 0 HA CYS A 43 12.220 -17.254 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.332 -16.608 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.916 -18.107 1.983 1.00 0.00 H new ATOM 0 HG CYS A 43 12.153 -16.865 4.202 1.00 0.00 H new ATOM 625 N GLY A 44 13.661 -15.107 2.015 1.00 0.00 N ATOM 626 CA GLY A 44 14.172 -13.751 2.092 1.00 0.00 C ATOM 627 C GLY A 44 13.671 -13.012 3.317 1.00 0.00 C ATOM 628 O GLY A 44 13.612 -11.782 3.329 1.00 0.00 O ATOM 0 H GLY A 44 13.920 -15.708 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.262 -13.777 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.879 -13.204 1.196 1.00 0.00 H new ATOM 632 N LYS A 45 13.307 -13.762 4.351 1.00 0.00 N ATOM 633 CA LYS A 45 12.808 -13.172 5.587 1.00 0.00 C ATOM 634 C LYS A 45 13.952 -12.894 6.558 1.00 0.00 C ATOM 635 O LYS A 45 15.114 -13.172 6.261 1.00 0.00 O ATOM 636 CB LYS A 45 11.783 -14.101 6.243 1.00 0.00 C ATOM 637 CG LYS A 45 10.354 -13.839 5.800 1.00 0.00 C ATOM 638 CD LYS A 45 9.352 -14.328 6.832 1.00 0.00 C ATOM 639 CE LYS A 45 7.929 -13.947 6.451 1.00 0.00 C ATOM 640 NZ LYS A 45 6.982 -14.142 7.583 1.00 0.00 N ATOM 0 H LYS A 45 13.348 -14.781 4.358 1.00 0.00 H new ATOM 0 HA LYS A 45 12.326 -12.226 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.042 -15.134 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.845 -13.990 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.214 -12.771 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.170 -14.337 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.426 -15.411 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.595 -13.904 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.905 -12.905 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.607 -14.548 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.023 -13.872 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.986 -15.141 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.274 -13.549 8.386 1.00 0.00 H new ATOM 654 N LYS A 46 13.615 -12.345 7.720 1.00 0.00 N ATOM 655 CA LYS A 46 14.612 -12.031 8.736 1.00 0.00 C ATOM 656 C LYS A 46 13.993 -12.048 10.130 1.00 0.00 C ATOM 657 O LYS A 46 12.774 -11.960 10.279 1.00 0.00 O ATOM 658 CB LYS A 46 15.238 -10.662 8.461 1.00 0.00 C ATOM 659 CG LYS A 46 15.830 -10.533 7.068 1.00 0.00 C ATOM 660 CD LYS A 46 16.455 -9.165 6.852 1.00 0.00 C ATOM 661 CE LYS A 46 16.384 -8.744 5.392 1.00 0.00 C ATOM 662 NZ LYS A 46 15.028 -8.251 5.022 1.00 0.00 N ATOM 0 H LYS A 46 12.658 -12.108 7.982 1.00 0.00 H new ATOM 0 HA LYS A 46 15.389 -12.794 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.480 -9.891 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.019 -10.474 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.584 -11.306 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.051 -10.700 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.942 -8.428 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.496 -9.184 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.119 -7.961 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.649 -9.589 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.021 -7.974 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.330 -9.006 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.785 -7.428 5.610 1.00 0.00 H new ATOM 676 N PHE A 47 14.840 -12.159 11.148 1.00 0.00 N ATOM 677 CA PHE A 47 14.375 -12.187 12.530 1.00 0.00 C ATOM 678 C PHE A 47 15.491 -11.777 13.487 1.00 0.00 C ATOM 679 O PHE A 47 16.661 -12.091 13.266 1.00 0.00 O ATOM 680 CB PHE A 47 13.865 -13.583 12.891 1.00 0.00 C ATOM 681 CG PHE A 47 12.960 -14.178 11.850 1.00 0.00 C ATOM 682 CD1 PHE A 47 13.476 -14.656 10.657 1.00 0.00 C ATOM 683 CD2 PHE A 47 11.594 -14.261 12.066 1.00 0.00 C ATOM 684 CE1 PHE A 47 12.646 -15.204 9.697 1.00 0.00 C ATOM 685 CE2 PHE A 47 10.759 -14.808 11.110 1.00 0.00 C ATOM 686 CZ PHE A 47 11.286 -15.281 9.925 1.00 0.00 C ATOM 0 H PHE A 47 15.852 -12.231 11.042 1.00 0.00 H new ATOM 0 HA PHE A 47 13.557 -11.473 12.627 1.00 0.00 H new ATOM 0 HB2 PHE A 47 14.718 -14.245 13.041 1.00 0.00 H new ATOM 0 HB3 PHE A 47 13.330 -13.532 13.840 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.539 -14.600 10.475 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.177 -13.894 12.992 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.060 -15.571 8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.696 -14.865 11.290 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.636 -15.711 9.177 1.00 0.00 H new ATOM 696 N LYS A 48 15.120 -11.074 14.551 1.00 0.00 N ATOM 697 CA LYS A 48 16.087 -10.621 15.544 1.00 0.00 C ATOM 698 C LYS A 48 16.519 -11.771 16.448 1.00 0.00 C ATOM 699 O LYS A 48 17.689 -11.879 16.815 1.00 0.00 O ATOM 700 CB LYS A 48 15.492 -9.491 16.388 1.00 0.00 C ATOM 701 CG LYS A 48 16.290 -9.184 17.643 1.00 0.00 C ATOM 702 CD LYS A 48 17.527 -8.359 17.330 1.00 0.00 C ATOM 703 CE LYS A 48 17.173 -6.906 17.053 1.00 0.00 C ATOM 704 NZ LYS A 48 16.964 -6.137 18.310 1.00 0.00 N ATOM 0 H LYS A 48 14.156 -10.805 14.748 1.00 0.00 H new ATOM 0 HA LYS A 48 16.964 -10.248 15.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.428 -8.589 15.779 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.474 -9.758 16.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.662 -8.645 18.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.586 -10.116 18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.222 -8.412 18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.038 -8.781 16.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.970 -6.442 16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.269 -6.862 16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.725 -5.152 18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.186 -6.564 18.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.835 -6.157 18.878 1.00 0.00 H new ATOM 718 N MET A 49 15.567 -12.629 16.801 1.00 0.00 N ATOM 719 CA MET A 49 15.851 -13.773 17.660 1.00 0.00 C ATOM 720 C MET A 49 15.924 -15.060 16.844 1.00 0.00 C ATOM 721 O MET A 49 15.556 -15.085 15.670 1.00 0.00 O ATOM 722 CB MET A 49 14.779 -13.903 18.744 1.00 0.00 C ATOM 723 CG MET A 49 14.635 -12.660 19.608 1.00 0.00 C ATOM 724 SD MET A 49 16.013 -12.445 20.751 1.00 0.00 S ATOM 725 CE MET A 49 15.594 -10.870 21.494 1.00 0.00 C ATOM 0 H MET A 49 14.594 -12.554 16.506 1.00 0.00 H new ATOM 0 HA MET A 49 16.819 -13.608 18.134 1.00 0.00 H new ATOM 0 HB2 MET A 49 13.821 -14.120 18.272 1.00 0.00 H new ATOM 0 HB3 MET A 49 15.020 -14.753 19.382 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.560 -11.782 18.966 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.705 -12.721 20.173 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.355 -10.599 22.226 1.00 0.00 H new ATOM 0 HE2 MET A 49 15.546 -10.104 20.720 1.00 0.00 H new ATOM 0 HE3 MET A 49 14.626 -10.947 21.989 1.00 0.00 H new ATOM 735 N LYS A 50 16.402 -16.128 17.474 1.00 0.00 N ATOM 736 CA LYS A 50 16.522 -17.419 16.808 1.00 0.00 C ATOM 737 C LYS A 50 15.166 -18.110 16.710 1.00 0.00 C ATOM 738 O LYS A 50 14.754 -18.540 15.632 1.00 0.00 O ATOM 739 CB LYS A 50 17.509 -18.315 17.561 1.00 0.00 C ATOM 740 CG LYS A 50 17.102 -18.595 18.997 1.00 0.00 C ATOM 741 CD LYS A 50 18.203 -19.312 19.759 1.00 0.00 C ATOM 742 CE LYS A 50 19.408 -18.409 19.978 1.00 0.00 C ATOM 743 NZ LYS A 50 20.464 -19.080 20.786 1.00 0.00 N ATOM 0 H LYS A 50 16.713 -16.125 18.446 1.00 0.00 H new ATOM 0 HA LYS A 50 16.895 -17.245 15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.607 -19.261 17.029 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.492 -17.843 17.556 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.863 -17.657 19.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.196 -19.202 19.008 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.820 -19.650 20.722 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.509 -20.201 19.208 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.821 -18.114 19.013 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.091 -17.496 20.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.268 -18.432 20.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.077 -19.339 21.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.785 -19.938 20.294 1.00 0.00 H new ATOM 757 N HIS A 51 14.475 -18.211 17.841 1.00 0.00 N ATOM 758 CA HIS A 51 13.164 -18.848 17.881 1.00 0.00 C ATOM 759 C HIS A 51 12.213 -18.198 16.881 1.00 0.00 C ATOM 760 O HIS A 51 11.422 -18.879 16.227 1.00 0.00 O ATOM 761 CB HIS A 51 12.576 -18.764 19.290 1.00 0.00 C ATOM 762 CG HIS A 51 12.812 -17.445 19.960 1.00 0.00 C ATOM 763 ND1 HIS A 51 13.948 -17.166 20.691 1.00 0.00 N ATOM 764 CD2 HIS A 51 12.052 -16.326 20.006 1.00 0.00 C ATOM 765 CE1 HIS A 51 13.875 -15.932 21.158 1.00 0.00 C ATOM 766 NE2 HIS A 51 12.735 -15.401 20.756 1.00 0.00 N ATOM 0 H HIS A 51 14.801 -17.860 18.741 1.00 0.00 H new ATOM 0 HA HIS A 51 13.288 -19.896 17.609 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.503 -18.949 19.239 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.007 -19.556 19.903 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.088 -16.187 19.540 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.621 -15.441 21.765 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.414 -14.456 20.968 1.00 0.00 H new ATOM 774 N HIS A 52 12.295 -16.876 16.767 1.00 0.00 N ATOM 775 CA HIS A 52 11.442 -16.134 15.846 1.00 0.00 C ATOM 776 C HIS A 52 11.586 -16.665 14.423 1.00 0.00 C ATOM 777 O HIS A 52 10.607 -16.757 13.681 1.00 0.00 O ATOM 778 CB HIS A 52 11.788 -14.645 15.884 1.00 0.00 C ATOM 779 CG HIS A 52 11.299 -13.947 17.116 1.00 0.00 C ATOM 780 ND1 HIS A 52 11.885 -12.804 17.617 1.00 0.00 N ATOM 781 CD2 HIS A 52 10.270 -14.236 17.947 1.00 0.00 C ATOM 782 CE1 HIS A 52 11.240 -12.421 18.704 1.00 0.00 C ATOM 783 NE2 HIS A 52 10.255 -13.273 18.926 1.00 0.00 N ATOM 0 H HIS A 52 12.943 -16.297 17.301 1.00 0.00 H new ATOM 0 HA HIS A 52 10.407 -16.268 16.162 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.870 -14.530 15.817 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.361 -14.159 15.007 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.588 -15.069 17.857 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.477 -11.558 19.309 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.591 -13.224 19.699 1.00 0.00 H new ATOM 791 N LEU A 53 12.812 -17.013 14.048 1.00 0.00 N ATOM 792 CA LEU A 53 13.085 -17.535 12.714 1.00 0.00 C ATOM 793 C LEU A 53 12.586 -18.970 12.578 1.00 0.00 C ATOM 794 O LEU A 53 11.929 -19.320 11.598 1.00 0.00 O ATOM 795 CB LEU A 53 14.585 -17.474 12.418 1.00 0.00 C ATOM 796 CG LEU A 53 15.049 -18.196 11.153 1.00 0.00 C ATOM 797 CD1 LEU A 53 14.465 -17.533 9.915 1.00 0.00 C ATOM 798 CD2 LEU A 53 16.569 -18.221 11.080 1.00 0.00 C ATOM 0 H LEU A 53 13.633 -16.943 14.649 1.00 0.00 H new ATOM 0 HA LEU A 53 12.553 -16.915 11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.878 -16.427 12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.120 -17.894 13.269 1.00 0.00 H new ATOM 0 HG LEU A 53 14.690 -19.224 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.806 -18.061 9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.377 -17.568 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.793 -16.495 9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.881 -18.739 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.949 -17.200 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.967 -18.742 11.951 1.00 0.00 H new ATOM 810 N VAL A 54 12.902 -19.797 13.569 1.00 0.00 N ATOM 811 CA VAL A 54 12.484 -21.194 13.563 1.00 0.00 C ATOM 812 C VAL A 54 10.989 -21.318 13.287 1.00 0.00 C ATOM 813 O VAL A 54 10.574 -22.006 12.356 1.00 0.00 O ATOM 814 CB VAL A 54 12.807 -21.883 14.901 1.00 0.00 C ATOM 815 CG1 VAL A 54 12.079 -23.215 15.006 1.00 0.00 C ATOM 816 CG2 VAL A 54 14.309 -22.074 15.052 1.00 0.00 C ATOM 0 H VAL A 54 13.447 -19.524 14.387 1.00 0.00 H new ATOM 0 HA VAL A 54 13.040 -21.688 12.766 1.00 0.00 H new ATOM 0 HB VAL A 54 12.461 -21.243 15.712 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.320 -23.687 15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.004 -23.048 14.946 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.391 -23.866 14.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.520 -22.562 16.003 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.681 -22.693 14.236 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.804 -21.103 15.025 1.00 0.00 H new ATOM 826 N GLY A 55 10.184 -20.647 14.106 1.00 0.00 N ATOM 827 CA GLY A 55 8.744 -20.695 13.934 1.00 0.00 C ATOM 828 C GLY A 55 8.323 -20.446 12.499 1.00 0.00 C ATOM 829 O GLY A 55 7.218 -20.812 12.097 1.00 0.00 O ATOM 0 H GLY A 55 10.504 -20.071 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.375 -21.670 14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.279 -19.951 14.580 1.00 0.00 H new ATOM 833 N HIS A 56 9.204 -19.820 11.725 1.00 0.00 N ATOM 834 CA HIS A 56 8.917 -19.521 10.327 1.00 0.00 C ATOM 835 C HIS A 56 9.528 -20.575 9.409 1.00 0.00 C ATOM 836 O HIS A 56 8.872 -21.072 8.495 1.00 0.00 O ATOM 837 CB HIS A 56 9.451 -18.136 9.959 1.00 0.00 C ATOM 838 CG HIS A 56 9.809 -17.998 8.512 1.00 0.00 C ATOM 839 ND1 HIS A 56 8.872 -17.801 7.520 1.00 0.00 N ATOM 840 CD2 HIS A 56 11.011 -18.026 7.891 1.00 0.00 C ATOM 841 CE1 HIS A 56 9.481 -17.717 6.351 1.00 0.00 C ATOM 842 NE2 HIS A 56 10.781 -17.849 6.549 1.00 0.00 N ATOM 0 H HIS A 56 10.122 -19.510 12.043 1.00 0.00 H new ATOM 0 HA HIS A 56 7.835 -19.532 10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.701 -17.387 10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.332 -17.922 10.565 1.00 0.00 H new ATOM 0 HD1 HIS A 56 7.865 -17.731 7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.973 -18.162 8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.999 -17.566 5.396 1.00 0.00 H new ATOM 850 N MET A 57 10.789 -20.912 9.660 1.00 0.00 N ATOM 851 CA MET A 57 11.489 -21.908 8.857 1.00 0.00 C ATOM 852 C MET A 57 10.632 -23.156 8.672 1.00 0.00 C ATOM 853 O MET A 57 10.675 -23.802 7.625 1.00 0.00 O ATOM 854 CB MET A 57 12.820 -22.280 9.512 1.00 0.00 C ATOM 855 CG MET A 57 13.771 -21.104 9.668 1.00 0.00 C ATOM 856 SD MET A 57 15.008 -21.034 8.358 1.00 0.00 S ATOM 857 CE MET A 57 13.962 -21.025 6.904 1.00 0.00 C ATOM 0 H MET A 57 11.347 -20.510 10.413 1.00 0.00 H new ATOM 0 HA MET A 57 11.685 -21.475 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.624 -22.711 10.494 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.305 -23.053 8.916 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.198 -20.177 9.672 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.273 -21.173 10.633 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.565 -20.806 6.023 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.492 -22.001 6.788 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.191 -20.262 7.015 1.00 0.00 H new ATOM 867 N LYS A 58 9.855 -23.492 9.697 1.00 0.00 N ATOM 868 CA LYS A 58 8.988 -24.663 9.648 1.00 0.00 C ATOM 869 C LYS A 58 8.182 -24.690 8.353 1.00 0.00 C ATOM 870 O LYS A 58 7.820 -25.758 7.859 1.00 0.00 O ATOM 871 CB LYS A 58 8.041 -24.672 10.851 1.00 0.00 C ATOM 872 CG LYS A 58 8.717 -25.067 12.153 1.00 0.00 C ATOM 873 CD LYS A 58 7.833 -24.768 13.352 1.00 0.00 C ATOM 874 CE LYS A 58 8.262 -25.566 14.574 1.00 0.00 C ATOM 875 NZ LYS A 58 7.806 -26.981 14.500 1.00 0.00 N ATOM 0 H LYS A 58 9.808 -22.969 10.572 1.00 0.00 H new ATOM 0 HA LYS A 58 9.618 -25.552 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.602 -23.681 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.221 -25.363 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.956 -26.130 12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.660 -24.530 12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.874 -23.703 13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.797 -25.002 13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.348 -25.539 14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.857 -25.100 15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.044 -27.469 15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.776 -27.007 14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.279 -27.457 13.705 1.00 0.00 H new ATOM 889 N ILE A 59 7.907 -23.510 7.809 1.00 0.00 N ATOM 890 CA ILE A 59 7.146 -23.399 6.570 1.00 0.00 C ATOM 891 C ILE A 59 7.920 -23.987 5.395 1.00 0.00 C ATOM 892 O ILE A 59 7.335 -24.568 4.481 1.00 0.00 O ATOM 893 CB ILE A 59 6.793 -21.933 6.255 1.00 0.00 C ATOM 894 CG1 ILE A 59 7.982 -21.229 5.600 1.00 0.00 C ATOM 895 CG2 ILE A 59 6.373 -21.206 7.524 1.00 0.00 C ATOM 896 CD1 ILE A 59 7.636 -19.878 5.014 1.00 0.00 C ATOM 0 H ILE A 59 8.199 -22.617 8.206 1.00 0.00 H new ATOM 0 HA ILE A 59 6.225 -23.963 6.714 1.00 0.00 H new ATOM 0 HB ILE A 59 5.956 -21.918 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.772 -21.103 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.382 -21.866 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.127 -20.171 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.500 -21.698 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.191 -21.228 8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.526 -19.437 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.868 -19.999 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.264 -19.224 5.803 1.00 0.00 H new ATOM 908 N HIS A 60 9.241 -23.834 5.427 1.00 0.00 N ATOM 909 CA HIS A 60 10.096 -24.352 4.366 1.00 0.00 C ATOM 910 C HIS A 60 10.440 -25.818 4.612 1.00 0.00 C ATOM 911 O HIS A 60 10.021 -26.700 3.862 1.00 0.00 O ATOM 912 CB HIS A 60 11.378 -23.525 4.266 1.00 0.00 C ATOM 913 CG HIS A 60 11.144 -22.102 3.862 1.00 0.00 C ATOM 914 ND1 HIS A 60 10.373 -21.746 2.775 1.00 0.00 N ATOM 915 CD2 HIS A 60 11.581 -20.943 4.407 1.00 0.00 C ATOM 916 CE1 HIS A 60 10.349 -20.430 2.667 1.00 0.00 C ATOM 917 NE2 HIS A 60 11.074 -19.918 3.646 1.00 0.00 N ATOM 0 H HIS A 60 9.741 -23.356 6.176 1.00 0.00 H new ATOM 0 HA HIS A 60 9.551 -24.278 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.887 -23.541 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.047 -23.993 3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 60 12.211 -20.843 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.826 -19.868 1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.231 -18.924 3.810 1.00 0.00 H new ATOM 1001 N TYR A 66 -1.270 -31.351 6.313 1.00 0.00 N ATOM 1002 CA TYR A 66 -2.526 -30.810 6.820 1.00 0.00 C ATOM 1003 C TYR A 66 -2.553 -29.289 6.697 1.00 0.00 C ATOM 1004 O TYR A 66 -1.512 -28.635 6.730 1.00 0.00 O ATOM 1005 CB TYR A 66 -2.730 -31.218 8.279 1.00 0.00 C ATOM 1006 CG TYR A 66 -2.476 -32.686 8.539 1.00 0.00 C ATOM 1007 CD1 TYR A 66 -1.210 -33.141 8.886 1.00 0.00 C ATOM 1008 CD2 TYR A 66 -3.501 -33.618 8.435 1.00 0.00 C ATOM 1009 CE1 TYR A 66 -0.973 -34.482 9.123 1.00 0.00 C ATOM 1010 CE2 TYR A 66 -3.274 -34.960 8.672 1.00 0.00 C ATOM 1011 CZ TYR A 66 -2.008 -35.387 9.015 1.00 0.00 C ATOM 1012 OH TYR A 66 -1.777 -36.723 9.250 1.00 0.00 O ATOM 0 HA TYR A 66 -3.337 -31.220 6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.066 -30.626 8.909 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.751 -30.976 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.397 -32.435 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.493 -33.288 8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.017 -34.819 9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.083 -35.671 8.589 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.611 -37.225 9.133 1.00 0.00 H new ATOM 1022 N GLU A 67 -3.753 -28.735 6.556 1.00 0.00 N ATOM 1023 CA GLU A 67 -3.917 -27.291 6.428 1.00 0.00 C ATOM 1024 C GLU A 67 -5.374 -26.889 6.632 1.00 0.00 C ATOM 1025 O GLU A 67 -6.288 -27.549 6.137 1.00 0.00 O ATOM 1026 CB GLU A 67 -3.434 -26.821 5.054 1.00 0.00 C ATOM 1027 CG GLU A 67 -3.810 -25.383 4.737 1.00 0.00 C ATOM 1028 CD GLU A 67 -3.821 -25.098 3.247 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -4.370 -25.926 2.490 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -3.281 -24.049 2.839 1.00 0.00 O ATOM 0 H GLU A 67 -4.625 -29.263 6.527 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.315 -26.812 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.350 -26.924 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.852 -27.474 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.795 -25.169 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.105 -24.711 5.227 1.00 0.00 H new ATOM 1037 N CYS A 68 -5.584 -25.801 7.366 1.00 0.00 N ATOM 1038 CA CYS A 68 -6.929 -25.310 7.639 1.00 0.00 C ATOM 1039 C CYS A 68 -7.572 -24.754 6.371 1.00 0.00 C ATOM 1040 O CYS A 68 -6.941 -24.695 5.317 1.00 0.00 O ATOM 1041 CB CYS A 68 -6.891 -24.229 8.721 1.00 0.00 C ATOM 1042 SG CYS A 68 -8.387 -24.161 9.758 1.00 0.00 S ATOM 0 H CYS A 68 -4.839 -25.243 7.782 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.530 -26.148 7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.026 -24.401 9.361 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.747 -23.259 8.245 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.485 -22.984 10.302 1.00 0.00 H new ATOM 1047 N ASN A 69 -8.832 -24.346 6.483 1.00 0.00 N ATOM 1048 CA ASN A 69 -9.561 -23.795 5.347 1.00 0.00 C ATOM 1049 C ASN A 69 -9.878 -22.319 5.568 1.00 0.00 C ATOM 1050 O ASN A 69 -9.783 -21.508 4.645 1.00 0.00 O ATOM 1051 CB ASN A 69 -10.856 -24.577 5.117 1.00 0.00 C ATOM 1052 CG ASN A 69 -11.947 -23.721 4.502 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -13.021 -23.554 5.081 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -11.676 -23.174 3.323 1.00 0.00 N ATOM 0 H ASN A 69 -9.369 -24.387 7.349 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.929 -23.885 4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.653 -25.426 4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.207 -24.981 6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.371 -22.588 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.772 -23.339 2.880 1.00 0.00 H new ATOM 1061 N ILE A 70 -10.253 -21.977 6.796 1.00 0.00 N ATOM 1062 CA ILE A 70 -10.582 -20.599 7.138 1.00 0.00 C ATOM 1063 C ILE A 70 -9.335 -19.722 7.143 1.00 0.00 C ATOM 1064 O ILE A 70 -9.224 -18.776 6.363 1.00 0.00 O ATOM 1065 CB ILE A 70 -11.266 -20.509 8.515 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -12.580 -21.292 8.508 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -11.511 -19.055 8.890 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -12.409 -22.761 8.826 1.00 0.00 C ATOM 0 H ILE A 70 -10.337 -22.635 7.571 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.272 -20.240 6.375 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.606 -20.950 9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.262 -20.848 9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.048 -21.193 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.995 -19.007 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.560 -18.524 8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.154 -18.590 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -13.381 -23.254 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.753 -23.219 8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.970 -22.870 9.818 1.00 0.00 H new ATOM 1080 N CYS A 71 -8.396 -20.042 8.028 1.00 0.00 N ATOM 1081 CA CYS A 71 -7.155 -19.285 8.136 1.00 0.00 C ATOM 1082 C CYS A 71 -6.092 -19.847 7.195 1.00 0.00 C ATOM 1083 O CYS A 71 -5.026 -19.257 7.026 1.00 0.00 O ATOM 1084 CB CYS A 71 -6.641 -19.310 9.576 1.00 0.00 C ATOM 1085 SG CYS A 71 -6.478 -20.983 10.279 1.00 0.00 S ATOM 0 H CYS A 71 -8.472 -20.822 8.681 1.00 0.00 H new ATOM 0 HA CYS A 71 -7.361 -18.254 7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -5.670 -18.816 9.612 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -7.318 -18.729 10.202 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.592 -21.320 10.859 1.00 0.00 H new ATOM 1090 N ALA A 72 -6.393 -20.989 6.587 1.00 0.00 N ATOM 1091 CA ALA A 72 -5.465 -21.629 5.662 1.00 0.00 C ATOM 1092 C ALA A 72 -4.138 -21.942 6.345 1.00 0.00 C ATOM 1093 O ALA A 72 -3.093 -22.000 5.696 1.00 0.00 O ATOM 1094 CB ALA A 72 -5.239 -20.745 4.445 1.00 0.00 C ATOM 0 H ALA A 72 -7.272 -21.490 6.718 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.907 -22.571 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.544 -21.235 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.188 -20.576 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.822 -19.789 4.762 1.00 0.00 H new ATOM 1100 N LYS A 73 -4.186 -22.142 7.657 1.00 0.00 N ATOM 1101 CA LYS A 73 -2.988 -22.450 8.429 1.00 0.00 C ATOM 1102 C LYS A 73 -2.448 -23.830 8.068 1.00 0.00 C ATOM 1103 O LYS A 73 -3.137 -24.631 7.437 1.00 0.00 O ATOM 1104 CB LYS A 73 -3.291 -22.385 9.928 1.00 0.00 C ATOM 1105 CG LYS A 73 -3.028 -21.021 10.542 1.00 0.00 C ATOM 1106 CD LYS A 73 -3.236 -21.039 12.048 1.00 0.00 C ATOM 1107 CE LYS A 73 -2.708 -19.769 12.698 1.00 0.00 C ATOM 1108 NZ LYS A 73 -1.219 -19.723 12.696 1.00 0.00 N ATOM 0 H LYS A 73 -5.043 -22.096 8.209 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.228 -21.707 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.335 -22.653 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.686 -23.130 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.007 -20.711 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.692 -20.283 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.298 -21.148 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.731 -21.905 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.099 -18.900 12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.072 -19.707 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.894 -18.967 13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.843 -20.636 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.879 -19.535 11.731 1.00 0.00 H new ATOM 1122 N ARG A 74 -1.212 -24.102 8.474 1.00 0.00 N ATOM 1123 CA ARG A 74 -0.580 -25.386 8.194 1.00 0.00 C ATOM 1124 C ARG A 74 -0.107 -26.052 9.482 1.00 0.00 C ATOM 1125 O ARG A 74 0.519 -25.414 10.330 1.00 0.00 O ATOM 1126 CB ARG A 74 0.601 -25.200 7.239 1.00 0.00 C ATOM 1127 CG ARG A 74 0.295 -24.286 6.064 1.00 0.00 C ATOM 1128 CD ARG A 74 1.533 -24.034 5.218 1.00 0.00 C ATOM 1129 NE ARG A 74 1.194 -23.566 3.877 1.00 0.00 N ATOM 1130 CZ ARG A 74 2.055 -22.950 3.074 1.00 0.00 C ATOM 1131 NH1 ARG A 74 3.299 -22.729 3.475 1.00 0.00 N ATOM 1132 NH2 ARG A 74 1.671 -22.553 1.867 1.00 0.00 N ATOM 0 H ARG A 74 -0.628 -23.450 8.998 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.321 -26.032 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.446 -24.793 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.908 -26.175 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.484 -24.733 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.095 -23.337 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.164 -23.295 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.115 -24.953 5.145 1.00 0.00 H new ATOM 0 HE ARG A 74 0.244 -23.720 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.597 -23.032 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.958 -22.256 2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.714 -22.721 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.333 -22.080 1.251 1.00 0.00 H new ATOM 1146 N PHE A 75 -0.410 -27.338 9.624 1.00 0.00 N ATOM 1147 CA PHE A 75 -0.017 -28.090 10.810 1.00 0.00 C ATOM 1148 C PHE A 75 0.592 -29.435 10.423 1.00 0.00 C ATOM 1149 O PHE A 75 -0.001 -30.201 9.665 1.00 0.00 O ATOM 1150 CB PHE A 75 -1.223 -28.307 11.725 1.00 0.00 C ATOM 1151 CG PHE A 75 -1.861 -27.030 12.189 1.00 0.00 C ATOM 1152 CD1 PHE A 75 -2.762 -26.355 11.381 1.00 0.00 C ATOM 1153 CD2 PHE A 75 -1.560 -26.502 13.435 1.00 0.00 C ATOM 1154 CE1 PHE A 75 -3.351 -25.179 11.805 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -2.146 -25.327 13.865 1.00 0.00 C ATOM 1156 CZ PHE A 75 -3.042 -24.664 13.049 1.00 0.00 C ATOM 0 H PHE A 75 -0.927 -27.881 8.932 1.00 0.00 H new ATOM 0 HA PHE A 75 0.736 -27.511 11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.966 -28.904 11.197 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.910 -28.884 12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.007 -26.753 10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.859 -27.015 14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.052 -24.663 11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.904 -24.927 14.839 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.500 -23.745 13.383 1.00 0.00 H new ATOM 1166 N MET A 76 1.779 -29.714 10.951 1.00 0.00 N ATOM 1167 CA MET A 76 2.468 -30.966 10.662 1.00 0.00 C ATOM 1168 C MET A 76 1.820 -32.128 11.408 1.00 0.00 C ATOM 1169 O MET A 76 1.811 -33.260 10.925 1.00 0.00 O ATOM 1170 CB MET A 76 3.946 -30.860 11.045 1.00 0.00 C ATOM 1171 CG MET A 76 4.172 -30.593 12.524 1.00 0.00 C ATOM 1172 SD MET A 76 5.841 -31.017 13.059 1.00 0.00 S ATOM 1173 CE MET A 76 5.741 -32.805 13.094 1.00 0.00 C ATOM 0 H MET A 76 2.284 -29.090 11.581 1.00 0.00 H new ATOM 0 HA MET A 76 2.390 -31.156 9.591 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.452 -31.786 10.770 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.407 -30.060 10.465 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.985 -29.540 12.732 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.451 -31.166 13.107 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.376 -33.189 13.892 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.709 -33.108 13.273 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.077 -33.207 12.138 1.00 0.00 H new ATOM 1183 N TRP A 77 1.279 -31.840 12.586 1.00 0.00 N ATOM 1184 CA TRP A 77 0.628 -32.862 13.398 1.00 0.00 C ATOM 1185 C TRP A 77 -0.844 -32.999 13.025 1.00 0.00 C ATOM 1186 O TRP A 77 -1.483 -32.028 12.619 1.00 0.00 O ATOM 1187 CB TRP A 77 0.761 -32.524 14.884 1.00 0.00 C ATOM 1188 CG TRP A 77 2.182 -32.344 15.328 1.00 0.00 C ATOM 1189 CD1 TRP A 77 2.892 -31.178 15.352 1.00 0.00 C ATOM 1190 CD2 TRP A 77 3.064 -33.364 15.809 1.00 0.00 C ATOM 1191 NE1 TRP A 77 4.163 -31.412 15.819 1.00 0.00 N ATOM 1192 CE2 TRP A 77 4.293 -32.744 16.107 1.00 0.00 C ATOM 1193 CE3 TRP A 77 2.935 -34.739 16.019 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 5.384 -33.454 16.602 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 4.018 -35.443 16.510 1.00 0.00 C ATOM 1196 CH2 TRP A 77 5.230 -34.800 16.798 1.00 0.00 C ATOM 0 H TRP A 77 1.278 -30.908 13.000 1.00 0.00 H new ATOM 0 HA TRP A 77 1.123 -33.814 13.203 1.00 0.00 H new ATOM 0 HB2 TRP A 77 0.204 -31.610 15.093 1.00 0.00 H new ATOM 0 HB3 TRP A 77 0.302 -33.318 15.472 1.00 0.00 H new ATOM 0 HD1 TRP A 77 2.511 -30.214 15.049 1.00 0.00 H new ATOM 0 HE1 TRP A 77 4.892 -30.707 15.933 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.005 -35.243 15.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 6.319 -32.960 16.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 3.929 -36.507 16.675 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.058 -35.378 17.182 1.00 0.00 H new ATOM 1207 N ARG A 78 -1.376 -34.209 13.166 1.00 0.00 N ATOM 1208 CA ARG A 78 -2.773 -34.471 12.842 1.00 0.00 C ATOM 1209 C ARG A 78 -3.689 -34.006 13.970 1.00 0.00 C ATOM 1210 O ARG A 78 -4.402 -33.012 13.833 1.00 0.00 O ATOM 1211 CB ARG A 78 -2.986 -35.963 12.580 1.00 0.00 C ATOM 1212 CG ARG A 78 -4.246 -36.268 11.787 1.00 0.00 C ATOM 1213 CD ARG A 78 -5.480 -36.257 12.675 1.00 0.00 C ATOM 1214 NE ARG A 78 -6.500 -37.191 12.207 1.00 0.00 N ATOM 1215 CZ ARG A 78 -6.537 -38.473 12.552 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -5.615 -38.971 13.365 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -7.497 -39.261 12.085 1.00 0.00 N ATOM 0 H ARG A 78 -0.861 -35.023 13.502 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.022 -33.911 11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.124 -36.355 12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.031 -36.488 13.534 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.363 -35.533 10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.149 -37.243 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.195 -36.513 13.695 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.897 -35.250 12.704 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.224 -36.840 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.875 -38.369 13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.646 -39.956 13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.208 -38.882 11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.523 -40.245 12.351 1.00 0.00 H new ATOM 1231 N ASP A 79 -3.664 -34.731 15.083 1.00 0.00 N ATOM 1232 CA ASP A 79 -4.491 -34.393 16.235 1.00 0.00 C ATOM 1233 C ASP A 79 -4.625 -32.880 16.382 1.00 0.00 C ATOM 1234 O ASP A 79 -5.730 -32.355 16.519 1.00 0.00 O ATOM 1235 CB ASP A 79 -3.897 -34.991 17.510 1.00 0.00 C ATOM 1236 CG ASP A 79 -4.840 -34.889 18.692 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -5.457 -33.817 18.868 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -4.962 -35.880 19.443 1.00 0.00 O ATOM 0 H ASP A 79 -3.080 -35.557 15.212 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.483 -34.814 16.075 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.650 -36.038 17.336 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.965 -34.479 17.748 1.00 0.00 H new ATOM 1243 N SER A 80 -3.492 -32.186 16.355 1.00 0.00 N ATOM 1244 CA SER A 80 -3.482 -30.734 16.490 1.00 0.00 C ATOM 1245 C SER A 80 -4.218 -30.074 15.328 1.00 0.00 C ATOM 1246 O SER A 80 -4.958 -29.108 15.515 1.00 0.00 O ATOM 1247 CB SER A 80 -2.044 -30.217 16.556 1.00 0.00 C ATOM 1248 OG SER A 80 -1.522 -30.326 17.870 1.00 0.00 O ATOM 0 H SER A 80 -2.569 -32.605 16.241 1.00 0.00 H new ATOM 0 HA SER A 80 -3.997 -30.477 17.416 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.419 -30.783 15.865 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.013 -29.176 16.234 1.00 0.00 H new ATOM 0 HG SER A 80 -0.601 -29.991 17.885 1.00 0.00 H new ATOM 1254 N PHE A 81 -4.010 -30.604 14.127 1.00 0.00 N ATOM 1255 CA PHE A 81 -4.653 -30.067 12.933 1.00 0.00 C ATOM 1256 C PHE A 81 -6.172 -30.098 13.073 1.00 0.00 C ATOM 1257 O PHE A 81 -6.824 -29.054 13.114 1.00 0.00 O ATOM 1258 CB PHE A 81 -4.227 -30.863 11.698 1.00 0.00 C ATOM 1259 CG PHE A 81 -5.191 -30.751 10.551 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -5.400 -29.535 9.921 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -5.888 -31.862 10.104 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -6.286 -29.429 8.865 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -6.775 -31.762 9.049 1.00 0.00 C ATOM 1264 CZ PHE A 81 -6.975 -30.544 8.430 1.00 0.00 C ATOM 0 H PHE A 81 -3.402 -31.404 13.955 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.338 -29.030 12.815 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.246 -30.517 11.373 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.120 -31.913 11.971 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.865 -28.660 10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.736 -32.817 10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.439 -28.476 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.311 -32.636 8.709 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.669 -30.463 7.607 1.00 0.00 H new ATOM 1274 N HIS A 82 -6.729 -31.302 13.145 1.00 0.00 N ATOM 1275 CA HIS A 82 -8.172 -31.470 13.280 1.00 0.00 C ATOM 1276 C HIS A 82 -8.694 -30.722 14.503 1.00 0.00 C ATOM 1277 O HIS A 82 -9.691 -30.004 14.424 1.00 0.00 O ATOM 1278 CB HIS A 82 -8.526 -32.954 13.386 1.00 0.00 C ATOM 1279 CG HIS A 82 -8.751 -33.612 12.059 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -8.477 -34.943 11.823 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -9.229 -33.116 10.894 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -8.774 -35.236 10.570 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -9.233 -34.144 9.985 1.00 0.00 N ATOM 0 H HIS A 82 -6.204 -32.176 13.112 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.646 -31.053 12.391 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.723 -33.474 13.909 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.425 -33.062 13.993 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.548 -32.100 10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.661 -36.203 10.103 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.541 -34.076 9.015 1.00 0.00 H new ATOM 1291 N ARG A 83 -8.015 -30.896 15.632 1.00 0.00 N ATOM 1292 CA ARG A 83 -8.411 -30.239 16.871 1.00 0.00 C ATOM 1293 C ARG A 83 -8.631 -28.746 16.648 1.00 0.00 C ATOM 1294 O ARG A 83 -9.607 -28.172 17.133 1.00 0.00 O ATOM 1295 CB ARG A 83 -7.348 -30.454 17.950 1.00 0.00 C ATOM 1296 CG ARG A 83 -7.565 -29.610 19.195 1.00 0.00 C ATOM 1297 CD ARG A 83 -6.521 -29.909 20.260 1.00 0.00 C ATOM 1298 NE ARG A 83 -6.486 -28.881 21.296 1.00 0.00 N ATOM 1299 CZ ARG A 83 -5.999 -29.083 22.516 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -5.509 -30.268 22.849 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -6.002 -28.097 23.404 1.00 0.00 N ATOM 0 H ARG A 83 -7.188 -31.487 15.714 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.350 -30.681 17.203 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.337 -31.507 18.232 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.367 -30.225 17.533 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.525 -28.553 18.931 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.560 -29.801 19.596 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.735 -30.876 20.716 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.539 -29.987 19.793 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.856 -27.957 21.071 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.505 -31.028 22.168 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.136 -30.421 23.786 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.378 -27.183 23.150 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.628 -28.253 24.340 1.00 0.00 H new ATOM 1315 N HIS A 84 -7.717 -28.121 15.912 1.00 0.00 N ATOM 1316 CA HIS A 84 -7.811 -26.694 15.625 1.00 0.00 C ATOM 1317 C HIS A 84 -8.905 -26.418 14.598 1.00 0.00 C ATOM 1318 O HIS A 84 -9.857 -25.686 14.871 1.00 0.00 O ATOM 1319 CB HIS A 84 -6.470 -26.166 15.114 1.00 0.00 C ATOM 1320 CG HIS A 84 -6.588 -24.899 14.325 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -6.175 -23.673 14.803 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -7.073 -24.672 13.082 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -6.403 -22.747 13.889 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -6.948 -23.327 12.835 1.00 0.00 N ATOM 0 H HIS A 84 -6.903 -28.580 15.504 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.067 -26.178 16.550 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -5.808 -25.995 15.963 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.001 -26.929 14.493 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.482 -25.411 12.409 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.181 -21.695 13.987 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.230 -22.853 11.977 1.00 0.00 H new ATOM 1332 N VAL A 85 -8.762 -27.007 13.415 1.00 0.00 N ATOM 1333 CA VAL A 85 -9.738 -26.824 12.347 1.00 0.00 C ATOM 1334 C VAL A 85 -11.161 -26.860 12.892 1.00 0.00 C ATOM 1335 O VAL A 85 -11.998 -26.032 12.530 1.00 0.00 O ATOM 1336 CB VAL A 85 -9.588 -27.904 11.260 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -10.554 -27.646 10.113 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -8.154 -27.958 10.756 1.00 0.00 C ATOM 0 H VAL A 85 -7.980 -27.615 13.172 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.546 -25.846 11.906 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.832 -28.871 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.433 -28.420 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.577 -27.662 10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.345 -26.671 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.067 -28.727 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.880 -26.991 10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.486 -28.195 11.584 1.00 0.00 H new ATOM 1348 N THR A 86 -11.431 -27.826 13.765 1.00 0.00 N ATOM 1349 CA THR A 86 -12.754 -27.971 14.359 1.00 0.00 C ATOM 1350 C THR A 86 -13.232 -26.656 14.964 1.00 0.00 C ATOM 1351 O THR A 86 -14.315 -26.170 14.639 1.00 0.00 O ATOM 1352 CB THR A 86 -12.763 -29.058 15.451 1.00 0.00 C ATOM 1353 OG1 THR A 86 -12.470 -30.335 14.872 1.00 0.00 O ATOM 1354 CG2 THR A 86 -14.112 -29.111 16.151 1.00 0.00 C ATOM 0 H THR A 86 -10.751 -28.519 14.076 1.00 0.00 H new ATOM 0 HA THR A 86 -13.430 -28.266 13.557 1.00 0.00 H new ATOM 0 HB THR A 86 -11.999 -28.809 16.188 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.520 -30.377 14.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.094 -29.886 16.918 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.319 -28.147 16.615 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.891 -29.339 15.423 1.00 0.00 H new ATOM 1362 N SER A 87 -12.418 -26.085 15.846 1.00 0.00 N ATOM 1363 CA SER A 87 -12.760 -24.827 16.499 1.00 0.00 C ATOM 1364 C SER A 87 -12.747 -23.675 15.498 1.00 0.00 C ATOM 1365 O SER A 87 -13.688 -22.883 15.434 1.00 0.00 O ATOM 1366 CB SER A 87 -11.782 -24.537 17.639 1.00 0.00 C ATOM 1367 OG SER A 87 -10.480 -24.283 17.142 1.00 0.00 O ATOM 0 H SER A 87 -11.517 -26.474 16.125 1.00 0.00 H new ATOM 0 HA SER A 87 -13.766 -24.920 16.908 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.130 -23.677 18.211 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.754 -25.385 18.323 1.00 0.00 H new ATOM 0 HG SER A 87 -10.274 -24.918 16.424 1.00 0.00 H new ATOM 1373 N CYS A 88 -11.675 -23.587 14.719 1.00 0.00 N ATOM 1374 CA CYS A 88 -11.537 -22.533 13.722 1.00 0.00 C ATOM 1375 C CYS A 88 -12.862 -22.284 13.007 1.00 0.00 C ATOM 1376 O CYS A 88 -13.231 -21.139 12.741 1.00 0.00 O ATOM 1377 CB CYS A 88 -10.458 -22.904 12.703 1.00 0.00 C ATOM 1378 SG CYS A 88 -9.746 -21.478 11.821 1.00 0.00 S ATOM 0 H CYS A 88 -10.888 -24.234 14.759 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.243 -21.618 14.236 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -9.657 -23.437 13.216 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -10.884 -23.593 11.974 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.655 -20.560 11.674 1.00 0.00 H new ATOM 1383 N THR A 89 -13.575 -23.363 12.700 1.00 0.00 N ATOM 1384 CA THR A 89 -14.858 -23.263 12.017 1.00 0.00 C ATOM 1385 C THR A 89 -15.952 -22.788 12.967 1.00 0.00 C ATOM 1386 O THR A 89 -16.702 -21.864 12.654 1.00 0.00 O ATOM 1387 CB THR A 89 -15.276 -24.613 11.404 1.00 0.00 C ATOM 1388 OG1 THR A 89 -14.175 -25.189 10.692 1.00 0.00 O ATOM 1389 CG2 THR A 89 -16.459 -24.438 10.464 1.00 0.00 C ATOM 0 H THR A 89 -13.285 -24.317 12.914 1.00 0.00 H new ATOM 0 HA THR A 89 -14.733 -22.533 11.217 1.00 0.00 H new ATOM 0 HB THR A 89 -15.573 -25.279 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.498 -25.497 11.330 1.00 0.00 H new ATOM 0 HG21 THR A 89 -16.736 -25.405 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.304 -24.027 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 89 -16.186 -23.757 9.658 1.00 0.00 H new ATOM 1397 N LYS A 90 -16.037 -23.427 14.129 1.00 0.00 N ATOM 1398 CA LYS A 90 -17.038 -23.070 15.127 1.00 0.00 C ATOM 1399 C LYS A 90 -17.270 -21.562 15.150 1.00 0.00 C ATOM 1400 O LYS A 90 -18.410 -21.101 15.190 1.00 0.00 O ATOM 1401 CB LYS A 90 -16.600 -23.550 16.513 1.00 0.00 C ATOM 1402 CG LYS A 90 -16.739 -25.049 16.709 1.00 0.00 C ATOM 1403 CD LYS A 90 -16.559 -25.440 18.166 1.00 0.00 C ATOM 1404 CE LYS A 90 -17.098 -26.836 18.439 1.00 0.00 C ATOM 1405 NZ LYS A 90 -18.582 -26.889 18.332 1.00 0.00 N ATOM 0 H LYS A 90 -15.424 -24.195 14.403 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.974 -23.560 14.858 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.560 -23.266 16.675 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.193 -23.036 17.270 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -17.721 -25.373 16.363 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.999 -25.567 16.098 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.501 -25.400 18.427 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.072 -24.720 18.803 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.658 -27.540 17.733 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.794 -27.154 19.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.937 -27.725 18.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.991 -26.030 18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.856 -26.948 17.330 1.00 0.00 H new ATOM 1419 N SER A 91 -16.181 -20.800 15.121 1.00 0.00 N ATOM 1420 CA SER A 91 -16.266 -19.344 15.141 1.00 0.00 C ATOM 1421 C SER A 91 -16.778 -18.812 13.806 1.00 0.00 C ATOM 1422 O SER A 91 -17.643 -17.936 13.764 1.00 0.00 O ATOM 1423 CB SER A 91 -14.898 -18.736 15.455 1.00 0.00 C ATOM 1424 OG SER A 91 -14.719 -18.576 16.851 1.00 0.00 O ATOM 0 H SER A 91 -15.230 -21.167 15.084 1.00 0.00 H new ATOM 0 HA SER A 91 -16.970 -19.056 15.921 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.112 -19.376 15.056 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.804 -17.769 14.960 1.00 0.00 H new ATOM 0 HG SER A 91 -13.836 -18.187 17.025 1.00 0.00 H new ATOM 1430 N TYR A 92 -16.238 -19.348 12.717 1.00 0.00 N ATOM 1431 CA TYR A 92 -16.637 -18.926 11.379 1.00 0.00 C ATOM 1432 C TYR A 92 -18.145 -19.063 11.192 1.00 0.00 C ATOM 1433 O TYR A 92 -18.823 -18.110 10.811 1.00 0.00 O ATOM 1434 CB TYR A 92 -15.903 -19.751 10.321 1.00 0.00 C ATOM 1435 CG TYR A 92 -16.294 -19.404 8.903 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -17.565 -19.694 8.421 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -15.394 -18.786 8.044 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -17.927 -19.379 7.126 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -15.747 -18.466 6.748 1.00 0.00 C ATOM 1440 CZ TYR A 92 -17.015 -18.764 6.293 1.00 0.00 C ATOM 1441 OH TYR A 92 -17.371 -18.448 5.002 1.00 0.00 O ATOM 0 H TYR A 92 -15.523 -20.075 12.734 1.00 0.00 H new ATOM 0 HA TYR A 92 -16.369 -17.876 11.261 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.829 -19.605 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -16.102 -20.809 10.495 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -18.282 -20.174 9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.400 -18.552 8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -18.918 -19.613 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -15.035 -17.985 6.094 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.615 -18.019 4.550 1.00 0.00 H new ATOM 1451 N GLU A 93 -18.662 -20.258 11.463 1.00 0.00 N ATOM 1452 CA GLU A 93 -20.089 -20.521 11.324 1.00 0.00 C ATOM 1453 C GLU A 93 -20.912 -19.425 11.994 1.00 0.00 C ATOM 1454 O GLU A 93 -21.921 -18.973 11.454 1.00 0.00 O ATOM 1455 CB GLU A 93 -20.441 -21.881 11.930 1.00 0.00 C ATOM 1456 CG GLU A 93 -20.084 -23.057 11.036 1.00 0.00 C ATOM 1457 CD GLU A 93 -20.549 -24.384 11.603 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -21.519 -24.384 12.390 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -19.943 -25.421 11.262 1.00 0.00 O ATOM 0 H GLU A 93 -18.114 -21.058 11.780 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.328 -20.532 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.923 -21.990 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.510 -21.909 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.531 -22.910 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.004 -23.086 10.894 1.00 0.00 H new