USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=29 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 144:sc= 0.0973 USER MOD Set 1.2: A 69 ASN : amide:sc= -5.71! C(o=-11!,f=-20!) USER MOD Set 1.3: A 71 CYS SG : rot -35:sc= -2.16 USER MOD Set 1.4: A 84 HIS : no HE2:sc= -3.07! K(o=-11!,f=-11) USER MOD Set 1.5: A 88 CYS SG : rot 160:sc= 0.236 USER MOD Set 2.1: A 51 HIS : no HE2:sc= -4.56 K(o=-6.2,f=-7.3!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -1.65 K(o=-6.2,f=-7.3!) USER MOD Set 3.1: A 40 CYS SG : rot -136:sc= -3.09 USER MOD Set 3.2: A 43 CYS SG : rot -122:sc= -1.04 USER MOD Set 3.3: A 56 HIS : no HE2:sc= -4.3! X(o=-19!,f=-19) USER MOD Set 3.4: A 57 MET CE :methyl 172:sc= -5.24! (180deg=-2.7!) USER MOD Set 3.5: A 60 HIS : no HE2:sc= -5.42! C(o=-19!,f=-20!) USER MOD Set 4.1: A 13 CYS SG : rot -169:sc= 0.252 USER MOD Set 4.2: A 14 GLN : amide:sc= -2.92 K(o=-8,f=-4.6) USER MOD Set 4.3: A 15 CYS SG : rot -67:sc= 0.281 USER MOD Set 4.4: A 28 HIS : no HD1:sc= -1.71 K(o=-8,f=-6) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -3.94! C(o=-8!,f=-5.1!) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.0392 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc=-0.00506 (180deg=-0.168) USER MOD Single : A 18 SER OG : rot 24:sc= 0.62 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=-0.33) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 29 MET CE :methyl 153:sc= -0.417 (180deg=-1.45!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -178:sc= 0 (180deg=-0.00351) 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+ 174:sc= 0 (180deg=-0.0188) USER MOD Single : A 66 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 157:sc= -0.0932 (180deg=-0.714) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -1.92! K(o=-1.9!,f=0.17) USER MOD Single : A 86 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 1.729 6.928 16.882 1.00 0.00 N ATOM 120 CA TYR A 11 3.149 6.604 16.941 1.00 0.00 C ATOM 121 C TYR A 11 3.772 6.629 15.549 1.00 0.00 C ATOM 122 O TYR A 11 3.663 5.678 14.774 1.00 0.00 O ATOM 123 CB TYR A 11 3.354 5.229 17.579 1.00 0.00 C ATOM 124 CG TYR A 11 2.835 5.135 18.996 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.487 5.320 19.277 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.693 4.862 20.054 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.009 5.236 20.571 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.224 4.775 21.350 1.00 0.00 C ATOM 129 CZ TYR A 11 1.881 4.963 21.604 1.00 0.00 C ATOM 130 OH TYR A 11 1.409 4.878 22.893 1.00 0.00 O ATOM 0 HA TYR A 11 3.642 7.359 17.554 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.856 4.476 16.968 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.418 4.990 17.574 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.801 5.533 18.471 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.745 4.715 19.860 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.042 5.383 20.772 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.905 4.561 22.160 1.00 0.00 H new ATOM 0 HH TYR A 11 0.482 4.561 22.882 1.00 0.00 H new ATOM 140 N PRO A 12 4.442 7.744 15.221 1.00 0.00 N ATOM 141 CA PRO A 12 5.098 7.921 13.922 1.00 0.00 C ATOM 142 C PRO A 12 6.319 7.022 13.762 1.00 0.00 C ATOM 143 O PRO A 12 7.127 6.885 14.681 1.00 0.00 O ATOM 144 CB PRO A 12 5.515 9.394 13.933 1.00 0.00 C ATOM 145 CG PRO A 12 5.646 9.739 15.376 1.00 0.00 C ATOM 146 CD PRO A 12 4.612 8.917 16.095 1.00 0.00 C ATOM 0 HA PRO A 12 4.441 7.656 13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.456 9.543 13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.770 10.020 13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.648 9.513 15.742 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.480 10.804 15.539 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.948 8.630 17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.678 9.465 16.219 1.00 0.00 H new ATOM 154 N CYS A 13 6.449 6.412 12.589 1.00 0.00 N ATOM 155 CA CYS A 13 7.572 5.526 12.307 1.00 0.00 C ATOM 156 C CYS A 13 8.709 6.288 11.632 1.00 0.00 C ATOM 157 O CYS A 13 8.515 7.393 11.128 1.00 0.00 O ATOM 158 CB CYS A 13 7.123 4.365 11.418 1.00 0.00 C ATOM 159 SG CYS A 13 8.423 3.131 11.093 1.00 0.00 S ATOM 0 H CYS A 13 5.790 6.515 11.818 1.00 0.00 H new ATOM 0 HA CYS A 13 7.936 5.129 13.255 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.275 3.868 11.889 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.771 4.765 10.467 1.00 0.00 H new ATOM 0 HG CYS A 13 8.031 2.325 10.151 1.00 0.00 H new ATOM 164 N GLN A 14 9.895 5.687 11.628 1.00 0.00 N ATOM 165 CA GLN A 14 11.063 6.309 11.015 1.00 0.00 C ATOM 166 C GLN A 14 10.764 6.736 9.582 1.00 0.00 C ATOM 167 O GLN A 14 11.083 7.854 9.177 1.00 0.00 O ATOM 168 CB GLN A 14 12.250 5.344 11.035 1.00 0.00 C ATOM 169 CG GLN A 14 13.485 5.884 10.333 1.00 0.00 C ATOM 170 CD GLN A 14 14.616 4.875 10.282 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.720 5.139 10.758 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.345 3.711 9.702 1.00 0.00 N ATOM 0 H GLN A 14 10.072 4.772 12.042 1.00 0.00 H new ATOM 0 HA GLN A 14 11.316 7.197 11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.502 5.113 12.070 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.954 4.407 10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.221 6.180 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.827 6.782 10.848 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.415 3.535 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.067 2.993 9.638 1.00 0.00 H new ATOM 181 N CYS A 15 10.150 5.839 8.818 1.00 0.00 N ATOM 182 CA CYS A 15 9.808 6.122 7.430 1.00 0.00 C ATOM 183 C CYS A 15 8.881 7.330 7.333 1.00 0.00 C ATOM 184 O CYS A 15 8.903 8.066 6.347 1.00 0.00 O ATOM 185 CB CYS A 15 9.143 4.903 6.788 1.00 0.00 C ATOM 186 SG CYS A 15 7.595 4.388 7.598 1.00 0.00 S ATOM 0 H CYS A 15 9.879 4.909 9.137 1.00 0.00 H new ATOM 0 HA CYS A 15 10.730 6.349 6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.936 5.125 5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.844 4.069 6.805 1.00 0.00 H new ATOM 0 HG CYS A 15 7.858 3.933 8.787 1.00 0.00 H new ATOM 191 N GLY A 16 8.067 7.529 8.365 1.00 0.00 N ATOM 192 CA GLY A 16 7.144 8.649 8.378 1.00 0.00 C ATOM 193 C GLY A 16 5.732 8.233 8.736 1.00 0.00 C ATOM 194 O GLY A 16 4.937 9.046 9.208 1.00 0.00 O ATOM 0 H GLY A 16 8.030 6.934 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.492 9.394 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.142 9.125 7.397 1.00 0.00 H new ATOM 198 N LYS A 17 5.416 6.962 8.510 1.00 0.00 N ATOM 199 CA LYS A 17 4.089 6.438 8.812 1.00 0.00 C ATOM 200 C LYS A 17 3.696 6.748 10.252 1.00 0.00 C ATOM 201 O LYS A 17 4.414 7.450 10.964 1.00 0.00 O ATOM 202 CB LYS A 17 4.050 4.926 8.575 1.00 0.00 C ATOM 203 CG LYS A 17 4.053 4.540 7.106 1.00 0.00 C ATOM 204 CD LYS A 17 3.925 3.037 6.924 1.00 0.00 C ATOM 205 CE LYS A 17 2.479 2.581 7.050 1.00 0.00 C ATOM 206 NZ LYS A 17 1.664 2.995 5.874 1.00 0.00 N ATOM 0 H LYS A 17 6.061 6.276 8.119 1.00 0.00 H new ATOM 0 HA LYS A 17 3.374 6.923 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.910 4.468 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.158 4.515 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.230 5.041 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.975 4.887 6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.313 2.754 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.535 2.526 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.447 1.496 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.044 2.998 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.785 2.439 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.432 4.006 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.205 2.830 5.001 1.00 0.00 H new ATOM 220 N SER A 18 2.553 6.219 10.676 1.00 0.00 N ATOM 221 CA SER A 18 2.063 6.441 12.032 1.00 0.00 C ATOM 222 C SER A 18 1.083 5.346 12.442 1.00 0.00 C ATOM 223 O SER A 18 0.071 5.123 11.778 1.00 0.00 O ATOM 224 CB SER A 18 1.388 7.810 12.134 1.00 0.00 C ATOM 225 OG SER A 18 2.347 8.854 12.122 1.00 0.00 O ATOM 0 H SER A 18 1.948 5.633 10.100 1.00 0.00 H new ATOM 0 HA SER A 18 2.916 6.412 12.710 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.694 7.940 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.801 7.862 13.051 1.00 0.00 H new ATOM 0 HG SER A 18 3.167 8.540 11.686 1.00 0.00 H new ATOM 231 N PHE A 19 1.392 4.666 13.541 1.00 0.00 N ATOM 232 CA PHE A 19 0.540 3.593 14.041 1.00 0.00 C ATOM 233 C PHE A 19 -0.081 3.972 15.382 1.00 0.00 C ATOM 234 O PHE A 19 0.529 4.677 16.186 1.00 0.00 O ATOM 235 CB PHE A 19 1.345 2.300 14.187 1.00 0.00 C ATOM 236 CG PHE A 19 2.071 1.901 12.933 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.146 2.644 12.474 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.679 0.783 12.216 1.00 0.00 C ATOM 239 CE1 PHE A 19 3.815 2.280 11.321 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.344 0.413 11.062 1.00 0.00 C ATOM 241 CZ PHE A 19 3.415 1.162 10.615 1.00 0.00 C ATOM 0 H PHE A 19 2.226 4.839 14.102 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.262 3.434 13.320 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.068 2.421 14.993 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.673 1.494 14.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.465 3.517 13.023 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.844 0.193 12.563 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.650 2.869 10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.027 -0.460 10.511 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.939 0.874 9.715 1.00 0.00 H new ATOM 251 N THR A 20 -1.302 3.500 15.616 1.00 0.00 N ATOM 252 CA THR A 20 -2.008 3.790 16.857 1.00 0.00 C ATOM 253 C THR A 20 -1.271 3.209 18.058 1.00 0.00 C ATOM 254 O THR A 20 -1.302 3.774 19.152 1.00 0.00 O ATOM 255 CB THR A 20 -3.443 3.231 16.831 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.114 3.657 15.640 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.226 3.690 18.052 1.00 0.00 C ATOM 0 H THR A 20 -1.822 2.915 14.962 1.00 0.00 H new ATOM 0 HA THR A 20 -2.050 4.875 16.950 1.00 0.00 H new ATOM 0 HB THR A 20 -3.385 2.143 16.845 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.025 3.296 15.631 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.236 3.282 18.011 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.729 3.338 18.956 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.274 4.779 18.065 1.00 0.00 H new ATOM 265 N HIS A 21 -0.606 2.077 17.848 1.00 0.00 N ATOM 266 CA HIS A 21 0.142 1.420 18.914 1.00 0.00 C ATOM 267 C HIS A 21 1.644 1.550 18.684 1.00 0.00 C ATOM 268 O HIS A 21 2.090 1.837 17.573 1.00 0.00 O ATOM 269 CB HIS A 21 -0.247 -0.056 19.004 1.00 0.00 C ATOM 270 CG HIS A 21 -1.436 -0.310 19.878 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.568 0.222 21.143 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.553 -1.044 19.662 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.713 -0.175 21.668 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.330 -0.944 20.789 1.00 0.00 N ATOM 0 H HIS A 21 -0.570 1.596 16.949 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.107 1.911 19.855 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.457 -0.430 18.002 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.602 -0.624 19.385 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.789 -1.604 18.769 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.082 0.085 22.649 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.237 -1.391 20.926 1.00 0.00 H new ATOM 282 N LYS A 22 2.420 1.337 19.741 1.00 0.00 N ATOM 283 CA LYS A 22 3.873 1.430 19.655 1.00 0.00 C ATOM 284 C LYS A 22 4.466 0.153 19.067 1.00 0.00 C ATOM 285 O LYS A 22 5.442 0.198 18.319 1.00 0.00 O ATOM 286 CB LYS A 22 4.471 1.691 21.040 1.00 0.00 C ATOM 287 CG LYS A 22 3.643 1.119 22.178 1.00 0.00 C ATOM 288 CD LYS A 22 2.569 2.094 22.631 1.00 0.00 C ATOM 289 CE LYS A 22 1.446 1.382 23.369 1.00 0.00 C ATOM 290 NZ LYS A 22 1.894 0.857 24.688 1.00 0.00 N ATOM 0 H LYS A 22 2.067 1.099 20.668 1.00 0.00 H new ATOM 0 HA LYS A 22 4.120 2.262 18.996 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.473 1.264 21.080 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.577 2.766 21.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.178 0.187 21.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.295 0.878 23.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.012 2.849 23.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.163 2.617 21.766 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.614 2.071 23.516 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.074 0.559 22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.100 0.379 25.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.671 0.180 24.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.225 1.645 25.281 1.00 0.00 H new ATOM 304 N SER A 23 3.868 -0.984 19.410 1.00 0.00 N ATOM 305 CA SER A 23 4.339 -2.273 18.917 1.00 0.00 C ATOM 306 C SER A 23 4.214 -2.353 17.399 1.00 0.00 C ATOM 307 O SER A 23 5.108 -2.855 16.718 1.00 0.00 O ATOM 308 CB SER A 23 3.547 -3.410 19.566 1.00 0.00 C ATOM 309 OG SER A 23 4.047 -4.674 19.164 1.00 0.00 O ATOM 0 H SER A 23 3.057 -1.038 20.027 1.00 0.00 H new ATOM 0 HA SER A 23 5.391 -2.374 19.183 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.601 -3.322 20.651 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.495 -3.327 19.292 1.00 0.00 H new ATOM 0 HG SER A 23 3.525 -5.384 19.593 1.00 0.00 H new ATOM 315 N GLN A 24 3.098 -1.854 16.876 1.00 0.00 N ATOM 316 CA GLN A 24 2.856 -1.869 15.438 1.00 0.00 C ATOM 317 C GLN A 24 3.876 -1.005 14.705 1.00 0.00 C ATOM 318 O GLN A 24 4.296 -1.331 13.594 1.00 0.00 O ATOM 319 CB GLN A 24 1.440 -1.376 15.133 1.00 0.00 C ATOM 320 CG GLN A 24 0.359 -2.396 15.453 1.00 0.00 C ATOM 321 CD GLN A 24 -0.849 -2.269 14.546 1.00 0.00 C ATOM 322 OE1 GLN A 24 -1.347 -1.169 14.307 1.00 0.00 O ATOM 323 NE2 GLN A 24 -1.329 -3.398 14.037 1.00 0.00 N ATOM 0 H GLN A 24 2.348 -1.435 17.426 1.00 0.00 H new ATOM 0 HA GLN A 24 2.959 -2.896 15.088 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.250 -0.467 15.703 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.376 -1.110 14.078 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.773 -3.400 15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.045 -2.274 16.490 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.885 -4.288 14.262 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.142 -3.375 13.421 1.00 0.00 H new ATOM 332 N ARG A 25 4.272 0.097 15.333 1.00 0.00 N ATOM 333 CA ARG A 25 5.242 1.009 14.739 1.00 0.00 C ATOM 334 C ARG A 25 6.654 0.438 14.834 1.00 0.00 C ATOM 335 O ARG A 25 7.499 0.698 13.978 1.00 0.00 O ATOM 336 CB ARG A 25 5.184 2.372 15.431 1.00 0.00 C ATOM 337 CG ARG A 25 6.324 3.300 15.046 1.00 0.00 C ATOM 338 CD ARG A 25 7.510 3.145 15.985 1.00 0.00 C ATOM 339 NE ARG A 25 7.192 3.574 17.344 1.00 0.00 N ATOM 340 CZ ARG A 25 7.276 4.835 17.755 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.666 5.785 16.916 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.969 5.147 19.008 1.00 0.00 N ATOM 0 H ARG A 25 3.936 0.380 16.253 1.00 0.00 H new ATOM 0 HA ARG A 25 4.989 1.133 13.686 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.237 2.853 15.187 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.197 2.223 16.511 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.638 3.088 14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.976 4.333 15.065 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.827 2.102 15.999 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.350 3.729 15.608 1.00 0.00 H new ATOM 0 HE ARG A 25 6.889 2.867 18.014 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.902 5.549 15.952 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.729 6.752 17.234 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.668 4.419 19.656 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.034 6.115 19.323 1.00 0.00 H new ATOM 356 N ASP A 26 6.902 -0.341 15.881 1.00 0.00 N ATOM 357 CA ASP A 26 8.211 -0.950 16.089 1.00 0.00 C ATOM 358 C ASP A 26 8.524 -1.954 14.984 1.00 0.00 C ATOM 359 O ASP A 26 9.596 -1.912 14.380 1.00 0.00 O ATOM 360 CB ASP A 26 8.265 -1.640 17.453 1.00 0.00 C ATOM 361 CG ASP A 26 9.672 -2.057 17.835 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.415 -1.210 18.374 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.030 -3.229 17.594 1.00 0.00 O ATOM 0 H ASP A 26 6.214 -0.566 16.599 1.00 0.00 H new ATOM 0 HA ASP A 26 8.961 -0.160 16.061 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.869 -0.967 18.214 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.620 -2.519 17.438 1.00 0.00 H new ATOM 368 N ARG A 27 7.583 -2.856 14.727 1.00 0.00 N ATOM 369 CA ARG A 27 7.760 -3.872 13.696 1.00 0.00 C ATOM 370 C ARG A 27 8.066 -3.230 12.346 1.00 0.00 C ATOM 371 O ARG A 27 8.695 -3.844 11.483 1.00 0.00 O ATOM 372 CB ARG A 27 6.506 -4.742 13.587 1.00 0.00 C ATOM 373 CG ARG A 27 5.344 -4.051 12.892 1.00 0.00 C ATOM 374 CD ARG A 27 4.430 -5.053 12.205 1.00 0.00 C ATOM 375 NE ARG A 27 3.362 -5.515 13.087 1.00 0.00 N ATOM 376 CZ ARG A 27 2.798 -6.714 12.993 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.199 -7.568 12.061 1.00 0.00 N ATOM 378 NH2 ARG A 27 1.831 -7.061 13.833 1.00 0.00 N ATOM 0 H ARG A 27 6.690 -2.904 15.218 1.00 0.00 H new ATOM 0 HA ARG A 27 8.605 -4.499 13.980 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.753 -5.654 13.044 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.194 -5.042 14.587 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.773 -3.476 13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.727 -3.343 12.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.994 -4.596 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.017 -5.907 11.868 1.00 0.00 H new ATOM 0 HE ARG A 27 3.031 -4.882 13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.942 -7.305 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.764 -8.488 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.520 -6.407 14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.398 -7.982 13.760 1.00 0.00 H new ATOM 392 N HIS A 28 7.616 -1.992 12.170 1.00 0.00 N ATOM 393 CA HIS A 28 7.842 -1.266 10.925 1.00 0.00 C ATOM 394 C HIS A 28 9.101 -0.409 11.016 1.00 0.00 C ATOM 395 O HIS A 28 9.542 0.171 10.024 1.00 0.00 O ATOM 396 CB HIS A 28 6.635 -0.387 10.596 1.00 0.00 C ATOM 397 CG HIS A 28 6.520 -0.047 9.142 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.116 1.062 8.579 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.874 -0.678 8.134 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.840 1.099 7.288 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.088 0.054 6.992 1.00 0.00 N ATOM 0 H HIS A 28 7.093 -1.470 12.873 1.00 0.00 H new ATOM 0 HA HIS A 28 7.978 -1.996 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.726 -0.898 10.914 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.700 0.536 11.172 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.298 -1.588 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.173 1.855 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.725 -0.172 6.066 1.00 0.00 H new ATOM 409 N MET A 29 9.674 -0.334 12.213 1.00 0.00 N ATOM 410 CA MET A 29 10.883 0.453 12.433 1.00 0.00 C ATOM 411 C MET A 29 12.129 -0.363 12.106 1.00 0.00 C ATOM 412 O MET A 29 12.960 0.052 11.299 1.00 0.00 O ATOM 413 CB MET A 29 10.943 0.940 13.882 1.00 0.00 C ATOM 414 CG MET A 29 10.297 2.299 14.094 1.00 0.00 C ATOM 415 SD MET A 29 10.859 3.107 15.605 1.00 0.00 S ATOM 416 CE MET A 29 12.617 3.238 15.286 1.00 0.00 C ATOM 0 H MET A 29 9.321 -0.808 13.045 1.00 0.00 H new ATOM 0 HA MET A 29 10.851 1.316 11.768 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.450 0.209 14.523 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.985 0.989 14.197 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.518 2.939 13.240 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.214 2.180 14.131 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.024 4.086 15.836 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.115 2.324 15.609 1.00 0.00 H new ATOM 0 HE3 MET A 29 12.783 3.384 14.219 1.00 0.00 H new ATOM 426 N SER A 30 12.253 -1.526 12.738 1.00 0.00 N ATOM 427 CA SER A 30 13.400 -2.398 12.517 1.00 0.00 C ATOM 428 C SER A 30 13.537 -2.751 11.039 1.00 0.00 C ATOM 429 O SER A 30 14.634 -2.724 10.482 1.00 0.00 O ATOM 430 CB SER A 30 13.264 -3.676 13.347 1.00 0.00 C ATOM 431 OG SER A 30 13.087 -3.375 14.721 1.00 0.00 O ATOM 0 H SER A 30 11.573 -1.886 13.407 1.00 0.00 H new ATOM 0 HA SER A 30 14.297 -1.863 12.830 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.416 -4.259 12.987 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.153 -4.293 13.218 1.00 0.00 H new ATOM 0 HG SER A 30 13.001 -4.208 15.230 1.00 0.00 H new ATOM 437 N MET A 31 12.415 -3.083 10.409 1.00 0.00 N ATOM 438 CA MET A 31 12.408 -3.441 8.996 1.00 0.00 C ATOM 439 C MET A 31 13.318 -2.513 8.196 1.00 0.00 C ATOM 440 O MET A 31 13.938 -2.928 7.216 1.00 0.00 O ATOM 441 CB MET A 31 10.985 -3.383 8.439 1.00 0.00 C ATOM 442 CG MET A 31 10.527 -1.977 8.087 1.00 0.00 C ATOM 443 SD MET A 31 8.775 -1.901 7.667 1.00 0.00 S ATOM 444 CE MET A 31 8.791 -2.606 6.020 1.00 0.00 C ATOM 0 H MET A 31 11.498 -3.111 10.855 1.00 0.00 H new ATOM 0 HA MET A 31 12.784 -4.460 8.904 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.926 -4.009 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.299 -3.807 9.172 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.724 -1.314 8.929 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.114 -1.608 7.246 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.781 -2.595 5.610 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.450 -2.019 5.380 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.152 -3.633 6.068 1.00 0.00 H new ATOM 454 N HIS A 32 13.393 -1.255 8.620 1.00 0.00 N ATOM 455 CA HIS A 32 14.227 -0.269 7.943 1.00 0.00 C ATOM 456 C HIS A 32 15.707 -0.557 8.176 1.00 0.00 C ATOM 457 O HIS A 32 16.498 -0.599 7.233 1.00 0.00 O ATOM 458 CB HIS A 32 13.887 1.139 8.432 1.00 0.00 C ATOM 459 CG HIS A 32 12.478 1.553 8.135 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.893 1.397 6.896 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.536 2.118 8.925 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.653 1.849 6.937 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.411 2.292 8.157 1.00 0.00 N ATOM 0 H HIS A 32 12.886 -0.895 9.429 1.00 0.00 H new ATOM 0 HA HIS A 32 14.026 -0.333 6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.053 1.191 9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.571 1.850 7.969 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.648 2.383 9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.955 1.855 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.531 2.698 8.477 1.00 0.00 H new ATOM 582 N CYS A 40 26.527 3.056 4.978 1.00 0.00 N ATOM 583 CA CYS A 40 27.291 4.013 4.186 1.00 0.00 C ATOM 584 C CYS A 40 26.439 4.588 3.058 1.00 0.00 C ATOM 585 O CYS A 40 26.204 3.929 2.046 1.00 0.00 O ATOM 586 CB CYS A 40 28.540 3.345 3.608 1.00 0.00 C ATOM 587 SG CYS A 40 29.454 4.381 2.421 1.00 0.00 S ATOM 0 HA CYS A 40 27.594 4.830 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 40 29.207 3.075 4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 40 28.248 2.418 3.115 1.00 0.00 H new ATOM 0 HG CYS A 40 29.799 3.663 1.394 1.00 0.00 H new ATOM 592 N GLY A 41 25.980 5.822 3.241 1.00 0.00 N ATOM 593 CA GLY A 41 25.160 6.466 2.231 1.00 0.00 C ATOM 594 C GLY A 41 25.984 7.045 1.098 1.00 0.00 C ATOM 595 O GLY A 41 25.670 8.115 0.576 1.00 0.00 O ATOM 0 H GLY A 41 26.161 6.387 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 41 24.451 5.743 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 24.576 7.261 2.694 1.00 0.00 H new ATOM 599 N VAL A 42 27.043 6.338 0.717 1.00 0.00 N ATOM 600 CA VAL A 42 27.916 6.789 -0.361 1.00 0.00 C ATOM 601 C VAL A 42 28.123 5.689 -1.396 1.00 0.00 C ATOM 602 O VAL A 42 28.042 5.933 -2.601 1.00 0.00 O ATOM 603 CB VAL A 42 29.287 7.237 0.178 1.00 0.00 C ATOM 604 CG1 VAL A 42 30.176 7.718 -0.959 1.00 0.00 C ATOM 605 CG2 VAL A 42 29.118 8.322 1.230 1.00 0.00 C ATOM 0 H VAL A 42 27.317 5.451 1.139 1.00 0.00 H new ATOM 0 HA VAL A 42 27.424 7.640 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 42 29.771 6.381 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 42 31.141 8.031 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 42 30.324 6.908 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.701 8.561 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.097 8.626 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.614 9.182 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.522 7.937 2.057 1.00 0.00 H new ATOM 615 N CYS A 43 28.389 4.478 -0.920 1.00 0.00 N ATOM 616 CA CYS A 43 28.608 3.339 -1.803 1.00 0.00 C ATOM 617 C CYS A 43 27.488 2.313 -1.656 1.00 0.00 C ATOM 618 O CYS A 43 27.067 1.693 -2.632 1.00 0.00 O ATOM 619 CB CYS A 43 29.957 2.684 -1.501 1.00 0.00 C ATOM 620 SG CYS A 43 29.973 1.682 0.020 1.00 0.00 S ATOM 0 H CYS A 43 28.458 4.260 0.074 1.00 0.00 H new ATOM 0 HA CYS A 43 28.611 3.704 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 43 30.238 2.051 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 43 30.716 3.462 -1.419 1.00 0.00 H new ATOM 0 HG CYS A 43 30.879 2.140 0.832 1.00 0.00 H new ATOM 625 N GLY A 44 27.009 2.140 -0.428 1.00 0.00 N ATOM 626 CA GLY A 44 25.942 1.189 -0.174 1.00 0.00 C ATOM 627 C GLY A 44 26.372 0.068 0.750 1.00 0.00 C ATOM 628 O GLY A 44 25.895 -1.061 0.634 1.00 0.00 O ATOM 0 H GLY A 44 27.341 2.642 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.091 1.711 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 44 25.604 0.766 -1.120 1.00 0.00 H new ATOM 632 N LYS A 45 27.278 0.378 1.672 1.00 0.00 N ATOM 633 CA LYS A 45 27.774 -0.611 2.621 1.00 0.00 C ATOM 634 C LYS A 45 27.048 -0.495 3.957 1.00 0.00 C ATOM 635 O LYS A 45 26.180 0.360 4.132 1.00 0.00 O ATOM 636 CB LYS A 45 29.281 -0.438 2.830 1.00 0.00 C ATOM 637 CG LYS A 45 30.126 -1.278 1.889 1.00 0.00 C ATOM 638 CD LYS A 45 31.483 -1.598 2.494 1.00 0.00 C ATOM 639 CE LYS A 45 32.039 -2.907 1.954 1.00 0.00 C ATOM 640 NZ LYS A 45 32.631 -2.741 0.598 1.00 0.00 N ATOM 0 H LYS A 45 27.684 1.307 1.782 1.00 0.00 H new ATOM 0 HA LYS A 45 27.582 -1.601 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.539 0.613 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 45 29.529 -0.699 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.602 -2.205 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 45 30.263 -0.746 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 45 32.180 -0.788 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 31.394 -1.659 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 32.798 -3.289 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 45 31.243 -3.651 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 32.999 -3.655 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 31.901 -2.401 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 33.407 -2.050 0.640 1.00 0.00 H new ATOM 654 N LYS A 46 27.410 -1.360 4.899 1.00 0.00 N ATOM 655 CA LYS A 46 26.796 -1.353 6.221 1.00 0.00 C ATOM 656 C LYS A 46 27.705 -2.023 7.247 1.00 0.00 C ATOM 657 O LYS A 46 28.541 -2.857 6.899 1.00 0.00 O ATOM 658 CB LYS A 46 25.442 -2.066 6.181 1.00 0.00 C ATOM 659 CG LYS A 46 24.451 -1.435 5.219 1.00 0.00 C ATOM 660 CD LYS A 46 23.078 -2.076 5.333 1.00 0.00 C ATOM 661 CE LYS A 46 22.254 -1.856 4.074 1.00 0.00 C ATOM 662 NZ LYS A 46 20.836 -2.273 4.258 1.00 0.00 N ATOM 0 H LYS A 46 28.126 -2.075 4.771 1.00 0.00 H new ATOM 0 HA LYS A 46 26.645 -0.315 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 46 25.597 -3.107 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 46 25.012 -2.068 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.373 -0.367 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.818 -1.538 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.188 -3.145 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.551 -1.660 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.289 -0.803 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.694 -2.418 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.308 -2.107 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.800 -3.284 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.408 -1.719 5.027 1.00 0.00 H new ATOM 676 N PHE A 47 27.534 -1.654 8.512 1.00 0.00 N ATOM 677 CA PHE A 47 28.339 -2.220 9.589 1.00 0.00 C ATOM 678 C PHE A 47 27.549 -2.263 10.893 1.00 0.00 C ATOM 679 O PHE A 47 26.723 -1.391 11.162 1.00 0.00 O ATOM 680 CB PHE A 47 29.619 -1.404 9.781 1.00 0.00 C ATOM 681 CG PHE A 47 30.360 -1.140 8.501 1.00 0.00 C ATOM 682 CD1 PHE A 47 29.861 -0.246 7.568 1.00 0.00 C ATOM 683 CD2 PHE A 47 31.555 -1.787 8.231 1.00 0.00 C ATOM 684 CE1 PHE A 47 30.541 -0.002 6.389 1.00 0.00 C ATOM 685 CE2 PHE A 47 32.239 -1.548 7.054 1.00 0.00 C ATOM 686 CZ PHE A 47 31.732 -0.653 6.132 1.00 0.00 C ATOM 0 H PHE A 47 26.846 -0.966 8.817 1.00 0.00 H new ATOM 0 HA PHE A 47 28.605 -3.240 9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 47 29.367 -0.452 10.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 30.277 -1.933 10.470 1.00 0.00 H new ATOM 0 HD1 PHE A 47 28.930 0.266 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 47 31.957 -2.487 8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 47 30.141 0.697 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 47 33.169 -2.060 6.855 1.00 0.00 H new ATOM 0 HZ PHE A 47 32.265 -0.463 5.212 1.00 0.00 H new ATOM 696 N LYS A 48 27.809 -3.285 11.701 1.00 0.00 N ATOM 697 CA LYS A 48 27.124 -3.444 12.979 1.00 0.00 C ATOM 698 C LYS A 48 27.642 -2.438 14.002 1.00 0.00 C ATOM 699 O LYS A 48 26.871 -1.885 14.787 1.00 0.00 O ATOM 700 CB LYS A 48 27.312 -4.868 13.508 1.00 0.00 C ATOM 701 CG LYS A 48 26.298 -5.262 14.568 1.00 0.00 C ATOM 702 CD LYS A 48 26.050 -6.761 14.574 1.00 0.00 C ATOM 703 CE LYS A 48 24.913 -7.134 15.512 1.00 0.00 C ATOM 704 NZ LYS A 48 24.758 -8.610 15.636 1.00 0.00 N ATOM 0 H LYS A 48 28.489 -4.016 11.494 1.00 0.00 H new ATOM 0 HA LYS A 48 26.062 -3.260 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.245 -5.568 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.315 -4.963 13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.655 -4.948 15.549 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.359 -4.738 14.387 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.814 -7.096 13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.959 -7.280 14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.098 -6.704 16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.983 -6.701 15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.973 -8.823 16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.556 -9.018 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.637 -9.021 16.010 1.00 0.00 H new ATOM 718 N MET A 49 28.950 -2.206 13.987 1.00 0.00 N ATOM 719 CA MET A 49 29.569 -1.264 14.913 1.00 0.00 C ATOM 720 C MET A 49 29.792 0.089 14.244 1.00 0.00 C ATOM 721 O MET A 49 30.055 0.163 13.043 1.00 0.00 O ATOM 722 CB MET A 49 30.900 -1.818 15.425 1.00 0.00 C ATOM 723 CG MET A 49 30.765 -3.147 16.151 1.00 0.00 C ATOM 724 SD MET A 49 30.266 -2.950 17.872 1.00 0.00 S ATOM 725 CE MET A 49 29.932 -4.650 18.325 1.00 0.00 C ATOM 0 H MET A 49 29.602 -2.657 13.345 1.00 0.00 H new ATOM 0 HA MET A 49 28.893 -1.126 15.757 1.00 0.00 H new ATOM 0 HB2 MET A 49 31.581 -1.941 14.583 1.00 0.00 H new ATOM 0 HB3 MET A 49 31.353 -1.090 16.098 1.00 0.00 H new ATOM 0 HG2 MET A 49 30.033 -3.767 15.633 1.00 0.00 H new ATOM 0 HG3 MET A 49 31.717 -3.677 16.111 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.611 -4.693 19.366 1.00 0.00 H new ATOM 0 HE2 MET A 49 29.144 -5.049 17.686 1.00 0.00 H new ATOM 0 HE3 MET A 49 30.837 -5.245 18.199 1.00 0.00 H new ATOM 735 N LYS A 50 29.684 1.156 15.028 1.00 0.00 N ATOM 736 CA LYS A 50 29.875 2.507 14.512 1.00 0.00 C ATOM 737 C LYS A 50 31.312 2.713 14.044 1.00 0.00 C ATOM 738 O LYS A 50 31.568 3.469 13.107 1.00 0.00 O ATOM 739 CB LYS A 50 29.524 3.539 15.586 1.00 0.00 C ATOM 740 CG LYS A 50 30.578 3.667 16.673 1.00 0.00 C ATOM 741 CD LYS A 50 30.374 2.636 17.771 1.00 0.00 C ATOM 742 CE LYS A 50 31.074 3.047 19.057 1.00 0.00 C ATOM 743 NZ LYS A 50 30.700 2.165 20.198 1.00 0.00 N ATOM 0 H LYS A 50 29.465 1.112 16.023 1.00 0.00 H new ATOM 0 HA LYS A 50 29.211 2.640 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 50 29.383 4.510 15.112 1.00 0.00 H new ATOM 0 HB3 LYS A 50 28.573 3.266 16.044 1.00 0.00 H new ATOM 0 HG2 LYS A 50 31.569 3.544 16.236 1.00 0.00 H new ATOM 0 HG3 LYS A 50 30.541 4.669 17.101 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.308 2.510 17.960 1.00 0.00 H new ATOM 0 HD3 LYS A 50 30.756 1.670 17.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 32.153 3.013 18.910 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.818 4.079 19.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 31.198 2.478 21.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.673 2.217 20.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.968 1.184 19.981 1.00 0.00 H new ATOM 757 N HIS A 51 32.247 2.034 14.702 1.00 0.00 N ATOM 758 CA HIS A 51 33.659 2.141 14.351 1.00 0.00 C ATOM 759 C HIS A 51 33.971 1.326 13.099 1.00 0.00 C ATOM 760 O HIS A 51 34.823 1.706 12.295 1.00 0.00 O ATOM 761 CB HIS A 51 34.532 1.667 15.513 1.00 0.00 C ATOM 762 CG HIS A 51 34.092 0.362 16.100 1.00 0.00 C ATOM 763 ND1 HIS A 51 33.592 0.242 17.380 1.00 0.00 N ATOM 764 CD2 HIS A 51 34.077 -0.885 15.574 1.00 0.00 C ATOM 765 CE1 HIS A 51 33.290 -1.022 17.616 1.00 0.00 C ATOM 766 NE2 HIS A 51 33.574 -1.727 16.536 1.00 0.00 N ATOM 0 H HIS A 51 32.052 1.404 15.481 1.00 0.00 H new ATOM 0 HA HIS A 51 33.879 3.189 14.145 1.00 0.00 H new ATOM 0 HB2 HIS A 51 35.561 1.572 15.168 1.00 0.00 H new ATOM 0 HB3 HIS A 51 34.527 2.427 16.294 1.00 0.00 H new ATOM 0 HD1 HIS A 51 33.474 1.010 18.041 1.00 0.00 H new ATOM 0 HD2 HIS A 51 34.400 -1.166 14.583 1.00 0.00 H new ATOM 0 HE1 HIS A 51 32.880 -1.413 18.536 1.00 0.00 H new ATOM 774 N HIS A 52 33.277 0.203 12.942 1.00 0.00 N ATOM 775 CA HIS A 52 33.480 -0.666 11.788 1.00 0.00 C ATOM 776 C HIS A 52 33.136 0.062 10.492 1.00 0.00 C ATOM 777 O HIS A 52 33.651 -0.272 9.424 1.00 0.00 O ATOM 778 CB HIS A 52 32.630 -1.930 11.919 1.00 0.00 C ATOM 779 CG HIS A 52 33.253 -2.984 12.781 1.00 0.00 C ATOM 780 ND1 HIS A 52 32.516 -3.871 13.537 1.00 0.00 N ATOM 781 CD2 HIS A 52 34.552 -3.292 13.004 1.00 0.00 C ATOM 782 CE1 HIS A 52 33.334 -4.678 14.188 1.00 0.00 C ATOM 783 NE2 HIS A 52 34.576 -4.348 13.882 1.00 0.00 N ATOM 0 H HIS A 52 32.570 -0.126 13.599 1.00 0.00 H new ATOM 0 HA HIS A 52 34.533 -0.947 11.757 1.00 0.00 H new ATOM 0 HB2 HIS A 52 31.657 -1.663 12.332 1.00 0.00 H new ATOM 0 HB3 HIS A 52 32.452 -2.343 10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 52 35.410 -2.799 12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 52 33.038 -5.473 14.857 1.00 0.00 H new ATOM 0 HE2 HIS A 52 35.416 -4.803 14.239 1.00 0.00 H new ATOM 791 N LEU A 53 32.261 1.056 10.593 1.00 0.00 N ATOM 792 CA LEU A 53 31.846 1.831 9.428 1.00 0.00 C ATOM 793 C LEU A 53 32.855 2.933 9.121 1.00 0.00 C ATOM 794 O LEU A 53 33.133 3.228 7.958 1.00 0.00 O ATOM 795 CB LEU A 53 30.463 2.441 9.663 1.00 0.00 C ATOM 796 CG LEU A 53 30.035 3.531 8.681 1.00 0.00 C ATOM 797 CD1 LEU A 53 29.918 2.966 7.274 1.00 0.00 C ATOM 798 CD2 LEU A 53 28.717 4.155 9.118 1.00 0.00 C ATOM 0 H LEU A 53 31.825 1.345 11.469 1.00 0.00 H new ATOM 0 HA LEU A 53 31.798 1.158 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 29.724 1.640 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 53 30.438 2.857 10.670 1.00 0.00 H new ATOM 0 HG LEU A 53 30.799 4.309 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.612 3.757 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.883 2.567 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 29.175 2.169 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 28.428 4.929 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 53 27.944 3.387 9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 53 28.834 4.597 10.108 1.00 0.00 H new ATOM 810 N VAL A 54 33.401 3.539 10.170 1.00 0.00 N ATOM 811 CA VAL A 54 34.381 4.607 10.013 1.00 0.00 C ATOM 812 C VAL A 54 35.568 4.144 9.175 1.00 0.00 C ATOM 813 O VAL A 54 35.824 4.676 8.096 1.00 0.00 O ATOM 814 CB VAL A 54 34.893 5.104 11.377 1.00 0.00 C ATOM 815 CG1 VAL A 54 36.179 5.899 11.208 1.00 0.00 C ATOM 816 CG2 VAL A 54 33.829 5.939 12.073 1.00 0.00 C ATOM 0 H VAL A 54 33.181 3.308 11.139 1.00 0.00 H new ATOM 0 HA VAL A 54 33.876 5.427 9.502 1.00 0.00 H new ATOM 0 HB VAL A 54 35.109 4.237 12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 54 36.526 6.242 12.183 1.00 0.00 H new ATOM 0 HG12 VAL A 54 36.941 5.266 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 54 35.993 6.760 10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 54 34.208 6.282 13.036 1.00 0.00 H new ATOM 0 HG22 VAL A 54 33.579 6.800 11.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 32.936 5.334 12.229 1.00 0.00 H new ATOM 826 N GLY A 55 36.289 3.147 9.680 1.00 0.00 N ATOM 827 CA GLY A 55 37.440 2.629 8.965 1.00 0.00 C ATOM 828 C GLY A 55 37.194 2.515 7.473 1.00 0.00 C ATOM 829 O GLY A 55 38.132 2.553 6.677 1.00 0.00 O ATOM 0 H GLY A 55 36.096 2.689 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 55 38.296 3.281 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 55 37.700 1.648 9.363 1.00 0.00 H new ATOM 833 N HIS A 56 35.928 2.374 7.093 1.00 0.00 N ATOM 834 CA HIS A 56 35.560 2.253 5.687 1.00 0.00 C ATOM 835 C HIS A 56 35.205 3.616 5.100 1.00 0.00 C ATOM 836 O HIS A 56 35.621 3.952 3.991 1.00 0.00 O ATOM 837 CB HIS A 56 34.382 1.293 5.526 1.00 0.00 C ATOM 838 CG HIS A 56 33.589 1.521 4.277 1.00 0.00 C ATOM 839 ND1 HIS A 56 33.951 1.005 3.050 1.00 0.00 N ATOM 840 CD2 HIS A 56 32.445 2.214 4.068 1.00 0.00 C ATOM 841 CE1 HIS A 56 33.065 1.372 2.142 1.00 0.00 C ATOM 842 NE2 HIS A 56 32.141 2.106 2.734 1.00 0.00 N ATOM 0 H HIS A 56 35.140 2.341 7.739 1.00 0.00 H new ATOM 0 HA HIS A 56 36.418 1.855 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 56 34.756 0.269 5.527 1.00 0.00 H new ATOM 0 HB3 HIS A 56 33.723 1.393 6.388 1.00 0.00 H new ATOM 0 HD1 HIS A 56 34.774 0.430 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 56 31.877 2.752 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 56 33.092 1.115 1.093 1.00 0.00 H new ATOM 850 N MET A 57 34.432 4.395 5.849 1.00 0.00 N ATOM 851 CA MET A 57 34.022 5.721 5.402 1.00 0.00 C ATOM 852 C MET A 57 35.228 6.544 4.961 1.00 0.00 C ATOM 853 O MET A 57 35.110 7.436 4.121 1.00 0.00 O ATOM 854 CB MET A 57 33.273 6.450 6.520 1.00 0.00 C ATOM 855 CG MET A 57 31.977 5.769 6.928 1.00 0.00 C ATOM 856 SD MET A 57 30.539 6.441 6.073 1.00 0.00 S ATOM 857 CE MET A 57 31.033 6.232 4.364 1.00 0.00 C ATOM 0 H MET A 57 34.077 4.131 6.768 1.00 0.00 H new ATOM 0 HA MET A 57 33.356 5.599 4.547 1.00 0.00 H new ATOM 0 HB2 MET A 57 33.923 6.527 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 57 33.053 7.467 6.196 1.00 0.00 H new ATOM 0 HG2 MET A 57 32.052 4.701 6.721 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.838 5.876 8.004 1.00 0.00 H new ATOM 0 HE1 MET A 57 30.193 6.469 3.711 1.00 0.00 H new ATOM 0 HE2 MET A 57 31.865 6.900 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 57 31.342 5.200 4.198 1.00 0.00 H new ATOM 867 N LYS A 58 36.388 6.239 5.534 1.00 0.00 N ATOM 868 CA LYS A 58 37.616 6.950 5.200 1.00 0.00 C ATOM 869 C LYS A 58 37.918 6.843 3.708 1.00 0.00 C ATOM 870 O LYS A 58 38.773 7.559 3.186 1.00 0.00 O ATOM 871 CB LYS A 58 38.789 6.391 6.009 1.00 0.00 C ATOM 872 CG LYS A 58 38.624 6.553 7.510 1.00 0.00 C ATOM 873 CD LYS A 58 39.373 5.473 8.273 1.00 0.00 C ATOM 874 CE LYS A 58 40.851 5.806 8.404 1.00 0.00 C ATOM 875 NZ LYS A 58 41.097 6.841 9.446 1.00 0.00 N ATOM 0 H LYS A 58 36.503 5.504 6.232 1.00 0.00 H new ATOM 0 HA LYS A 58 37.477 8.002 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 38.908 5.333 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 39.706 6.891 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 38.989 7.534 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 58 37.565 6.514 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.936 5.357 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.258 4.518 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 58 41.406 4.902 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 58 41.230 6.159 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 42.121 6.966 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.673 7.742 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 40.669 6.538 10.344 1.00 0.00 H new ATOM 889 N ILE A 59 37.210 5.948 3.028 1.00 0.00 N ATOM 890 CA ILE A 59 37.401 5.751 1.597 1.00 0.00 C ATOM 891 C ILE A 59 36.603 6.770 0.791 1.00 0.00 C ATOM 892 O ILE A 59 36.884 7.005 -0.385 1.00 0.00 O ATOM 893 CB ILE A 59 36.986 4.332 1.164 1.00 0.00 C ATOM 894 CG1 ILE A 59 35.468 4.253 0.985 1.00 0.00 C ATOM 895 CG2 ILE A 59 37.459 3.307 2.183 1.00 0.00 C ATOM 896 CD1 ILE A 59 35.001 2.965 0.346 1.00 0.00 C ATOM 0 H ILE A 59 36.499 5.348 3.445 1.00 0.00 H new ATOM 0 HA ILE A 59 38.464 5.886 1.399 1.00 0.00 H new ATOM 0 HB ILE A 59 37.458 4.108 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.990 4.360 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.138 5.093 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 59 37.158 2.310 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 59 38.545 3.349 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 37.013 3.526 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 59 33.915 2.979 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 59 35.451 2.865 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.300 2.121 0.968 1.00 0.00 H new ATOM 908 N HIS A 60 35.607 7.375 1.431 1.00 0.00 N ATOM 909 CA HIS A 60 34.770 8.372 0.774 1.00 0.00 C ATOM 910 C HIS A 60 35.042 9.765 1.335 1.00 0.00 C ATOM 911 O HIS A 60 35.134 10.740 0.588 1.00 0.00 O ATOM 912 CB HIS A 60 33.292 8.021 0.946 1.00 0.00 C ATOM 913 CG HIS A 60 32.944 6.645 0.467 1.00 0.00 C ATOM 914 ND1 HIS A 60 33.161 6.221 -0.827 1.00 0.00 N ATOM 915 CD2 HIS A 60 32.392 5.594 1.118 1.00 0.00 C ATOM 916 CE1 HIS A 60 32.756 4.970 -0.952 1.00 0.00 C ATOM 917 NE2 HIS A 60 32.286 4.566 0.214 1.00 0.00 N ATOM 0 H HIS A 60 35.360 7.192 2.404 1.00 0.00 H new ATOM 0 HA HIS A 60 35.015 8.373 -0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.026 8.108 2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 60 32.689 8.749 0.404 1.00 0.00 H new ATOM 0 HD1 HIS A 60 33.570 6.785 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 60 32.091 5.569 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 60 32.802 4.378 -1.854 1.00 0.00 H new ATOM 1001 N TYR A 66 46.996 10.464 -2.838 1.00 0.00 N ATOM 1002 CA TYR A 66 48.200 9.670 -2.626 1.00 0.00 C ATOM 1003 C TYR A 66 47.848 8.221 -2.302 1.00 0.00 C ATOM 1004 O TYR A 66 46.735 7.924 -1.868 1.00 0.00 O ATOM 1005 CB TYR A 66 49.037 10.268 -1.494 1.00 0.00 C ATOM 1006 CG TYR A 66 49.161 11.773 -1.562 1.00 0.00 C ATOM 1007 CD1 TYR A 66 49.448 12.412 -2.762 1.00 0.00 C ATOM 1008 CD2 TYR A 66 48.990 12.556 -0.427 1.00 0.00 C ATOM 1009 CE1 TYR A 66 49.563 13.787 -2.829 1.00 0.00 C ATOM 1010 CE2 TYR A 66 49.102 13.932 -0.485 1.00 0.00 C ATOM 1011 CZ TYR A 66 49.389 14.543 -1.688 1.00 0.00 C ATOM 1012 OH TYR A 66 49.501 15.913 -1.751 1.00 0.00 O ATOM 0 HA TYR A 66 48.782 9.686 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 66 48.591 9.992 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 66 50.034 9.828 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 66 49.583 11.824 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 66 48.766 12.081 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 66 49.788 14.268 -3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 66 48.966 14.526 0.407 1.00 0.00 H new ATOM 0 HH TYR A 66 49.121 16.310 -0.939 1.00 0.00 H new ATOM 1022 N GLU A 67 48.805 7.324 -2.516 1.00 0.00 N ATOM 1023 CA GLU A 67 48.596 5.906 -2.247 1.00 0.00 C ATOM 1024 C GLU A 67 49.929 5.174 -2.120 1.00 0.00 C ATOM 1025 O GLU A 67 50.883 5.467 -2.842 1.00 0.00 O ATOM 1026 CB GLU A 67 47.758 5.272 -3.359 1.00 0.00 C ATOM 1027 CG GLU A 67 47.652 3.760 -3.254 1.00 0.00 C ATOM 1028 CD GLU A 67 47.398 3.098 -4.594 1.00 0.00 C ATOM 1029 OE1 GLU A 67 48.190 3.333 -5.531 1.00 0.00 O ATOM 1030 OE2 GLU A 67 46.408 2.346 -4.707 1.00 0.00 O ATOM 0 H GLU A 67 49.732 7.554 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 67 48.061 5.817 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 67 46.756 5.701 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.194 5.531 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.573 3.364 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 67 46.845 3.503 -2.567 1.00 0.00 H new ATOM 1037 N CYS A 68 49.988 4.221 -1.196 1.00 0.00 N ATOM 1038 CA CYS A 68 51.203 3.447 -0.972 1.00 0.00 C ATOM 1039 C CYS A 68 51.545 2.604 -2.197 1.00 0.00 C ATOM 1040 O CYS A 68 50.791 2.568 -3.168 1.00 0.00 O ATOM 1041 CB CYS A 68 51.039 2.545 0.253 1.00 0.00 C ATOM 1042 SG CYS A 68 52.606 2.118 1.078 1.00 0.00 S ATOM 0 H CYS A 68 49.208 3.966 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 68 52.021 4.145 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 68 50.386 3.041 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 68 50.538 1.626 -0.051 1.00 0.00 H new ATOM 0 HG CYS A 68 52.420 2.070 2.364 1.00 0.00 H new ATOM 1047 N ASN A 69 52.687 1.926 -2.142 1.00 0.00 N ATOM 1048 CA ASN A 69 53.130 1.083 -3.247 1.00 0.00 C ATOM 1049 C ASN A 69 53.099 -0.391 -2.852 1.00 0.00 C ATOM 1050 O ASN A 69 52.847 -1.261 -3.686 1.00 0.00 O ATOM 1051 CB ASN A 69 54.543 1.476 -3.682 1.00 0.00 C ATOM 1052 CG ASN A 69 55.480 1.661 -2.504 1.00 0.00 C ATOM 1053 OD1 ASN A 69 55.041 1.785 -1.360 1.00 0.00 O ATOM 1054 ND2 ASN A 69 56.779 1.679 -2.779 1.00 0.00 N ATOM 0 H ASN A 69 53.322 1.944 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 69 52.446 1.232 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 69 54.943 0.708 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 69 54.499 2.401 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 69 57.458 1.799 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 69 57.098 1.573 -3.742 1.00 0.00 H new ATOM 1061 N ILE A 70 53.355 -0.662 -1.577 1.00 0.00 N ATOM 1062 CA ILE A 70 53.354 -2.029 -1.073 1.00 0.00 C ATOM 1063 C ILE A 70 51.940 -2.492 -0.739 1.00 0.00 C ATOM 1064 O ILE A 70 51.423 -3.430 -1.345 1.00 0.00 O ATOM 1065 CB ILE A 70 54.237 -2.166 0.182 1.00 0.00 C ATOM 1066 CG1 ILE A 70 55.670 -1.728 -0.125 1.00 0.00 C ATOM 1067 CG2 ILE A 70 54.213 -3.600 0.693 1.00 0.00 C ATOM 1068 CD1 ILE A 70 55.919 -0.257 0.124 1.00 0.00 C ATOM 0 H ILE A 70 53.566 0.047 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 70 53.761 -2.658 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 70 53.838 -1.516 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 70 56.359 -2.313 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 70 55.895 -1.955 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 70 54.841 -3.681 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 70 53.190 -3.879 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 54.590 -4.268 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 70 56.955 -0.018 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 70 55.255 0.336 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 70 55.726 -0.028 1.172 1.00 0.00 H new ATOM 1080 N CYS A 71 51.318 -1.826 0.228 1.00 0.00 N ATOM 1081 CA CYS A 71 49.963 -2.166 0.643 1.00 0.00 C ATOM 1082 C CYS A 71 48.933 -1.424 -0.204 1.00 0.00 C ATOM 1083 O CYS A 71 47.727 -1.588 -0.018 1.00 0.00 O ATOM 1084 CB CYS A 71 49.760 -1.832 2.122 1.00 0.00 C ATOM 1085 SG CYS A 71 50.090 -0.090 2.542 1.00 0.00 S ATOM 0 H CYS A 71 51.732 -1.047 0.739 1.00 0.00 H new ATOM 0 HA CYS A 71 49.823 -3.237 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 71 48.734 -2.074 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 71 50.412 -2.469 2.720 1.00 0.00 H new ATOM 0 HG CYS A 71 51.064 0.357 1.806 1.00 0.00 H new ATOM 1090 N ALA A 72 49.417 -0.607 -1.134 1.00 0.00 N ATOM 1091 CA ALA A 72 48.539 0.158 -2.010 1.00 0.00 C ATOM 1092 C ALA A 72 47.479 0.905 -1.209 1.00 0.00 C ATOM 1093 O ALA A 72 46.372 1.144 -1.693 1.00 0.00 O ATOM 1094 CB ALA A 72 47.883 -0.759 -3.031 1.00 0.00 C ATOM 0 H ALA A 72 50.412 -0.458 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 72 49.145 0.895 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 72 47.230 -0.174 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 72 48.652 -1.243 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 72 47.296 -1.518 -2.514 1.00 0.00 H new ATOM 1100 N LYS A 73 47.823 1.272 0.021 1.00 0.00 N ATOM 1101 CA LYS A 73 46.901 1.993 0.891 1.00 0.00 C ATOM 1102 C LYS A 73 46.632 3.396 0.355 1.00 0.00 C ATOM 1103 O LYS A 73 47.383 3.908 -0.474 1.00 0.00 O ATOM 1104 CB LYS A 73 47.467 2.078 2.310 1.00 0.00 C ATOM 1105 CG LYS A 73 47.050 0.921 3.202 1.00 0.00 C ATOM 1106 CD LYS A 73 47.729 0.991 4.560 1.00 0.00 C ATOM 1107 CE LYS A 73 47.548 -0.302 5.340 1.00 0.00 C ATOM 1108 NZ LYS A 73 47.924 -0.143 6.772 1.00 0.00 N ATOM 0 H LYS A 73 48.734 1.082 0.438 1.00 0.00 H new ATOM 0 HA LYS A 73 45.959 1.445 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 73 48.555 2.111 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 73 47.142 3.013 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 73 45.968 0.934 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 73 47.301 -0.022 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 73 48.792 1.191 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 73 47.317 1.823 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 73 46.509 -0.625 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 73 48.157 -1.086 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 47.787 -1.046 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 48.922 0.141 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 47.326 0.587 7.209 1.00 0.00 H new ATOM 1122 N ARG A 74 45.556 4.011 0.835 1.00 0.00 N ATOM 1123 CA ARG A 74 45.188 5.354 0.405 1.00 0.00 C ATOM 1124 C ARG A 74 45.241 6.334 1.574 1.00 0.00 C ATOM 1125 O ARG A 74 44.793 6.023 2.678 1.00 0.00 O ATOM 1126 CB ARG A 74 43.787 5.351 -0.209 1.00 0.00 C ATOM 1127 CG ARG A 74 43.652 4.435 -1.415 1.00 0.00 C ATOM 1128 CD ARG A 74 42.238 4.452 -1.972 1.00 0.00 C ATOM 1129 NE ARG A 74 42.053 3.459 -3.028 1.00 0.00 N ATOM 1130 CZ ARG A 74 41.004 3.439 -3.842 1.00 0.00 C ATOM 1131 NH1 ARG A 74 40.050 4.352 -3.723 1.00 0.00 N ATOM 1132 NH2 ARG A 74 40.907 2.503 -4.778 1.00 0.00 N ATOM 0 H ARG A 74 44.924 3.600 1.522 1.00 0.00 H new ATOM 0 HA ARG A 74 45.907 5.676 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 74 43.067 5.046 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 74 43.527 6.367 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 74 44.353 4.746 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 74 43.920 3.417 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 74 41.529 4.261 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 74 42.015 5.444 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 74 42.769 2.742 -3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.121 5.073 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.246 4.334 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 74 41.638 1.798 -4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.101 2.488 -5.403 1.00 0.00 H new ATOM 1146 N PHE A 75 45.790 7.518 1.323 1.00 0.00 N ATOM 1147 CA PHE A 75 45.903 8.542 2.354 1.00 0.00 C ATOM 1148 C PHE A 75 45.415 9.892 1.836 1.00 0.00 C ATOM 1149 O PHE A 75 45.414 10.142 0.631 1.00 0.00 O ATOM 1150 CB PHE A 75 47.352 8.659 2.831 1.00 0.00 C ATOM 1151 CG PHE A 75 47.884 7.397 3.447 1.00 0.00 C ATOM 1152 CD1 PHE A 75 48.194 6.302 2.657 1.00 0.00 C ATOM 1153 CD2 PHE A 75 48.074 7.305 4.817 1.00 0.00 C ATOM 1154 CE1 PHE A 75 48.684 5.139 3.221 1.00 0.00 C ATOM 1155 CE2 PHE A 75 48.565 6.145 5.386 1.00 0.00 C ATOM 1156 CZ PHE A 75 48.869 5.060 4.587 1.00 0.00 C ATOM 0 H PHE A 75 46.164 7.792 0.414 1.00 0.00 H new ATOM 0 HA PHE A 75 45.275 8.247 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 75 47.983 8.935 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 75 47.422 9.467 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 75 48.051 6.358 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 75 47.836 8.149 5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 75 48.922 4.293 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 75 48.711 6.087 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 75 49.251 4.152 5.030 1.00 0.00 H new ATOM 1166 N MET A 76 45.002 10.758 2.755 1.00 0.00 N ATOM 1167 CA MET A 76 44.513 12.083 2.391 1.00 0.00 C ATOM 1168 C MET A 76 45.592 13.139 2.607 1.00 0.00 C ATOM 1169 O MET A 76 45.814 13.996 1.752 1.00 0.00 O ATOM 1170 CB MET A 76 43.269 12.433 3.210 1.00 0.00 C ATOM 1171 CG MET A 76 42.716 13.818 2.913 1.00 0.00 C ATOM 1172 SD MET A 76 41.093 14.090 3.649 1.00 0.00 S ATOM 1173 CE MET A 76 41.547 14.886 5.188 1.00 0.00 C ATOM 0 H MET A 76 44.996 10.567 3.757 1.00 0.00 H new ATOM 0 HA MET A 76 44.251 12.069 1.333 1.00 0.00 H new ATOM 0 HB2 MET A 76 42.494 11.692 3.014 1.00 0.00 H new ATOM 0 HB3 MET A 76 43.512 12.367 4.271 1.00 0.00 H new ATOM 0 HG2 MET A 76 43.411 14.570 3.287 1.00 0.00 H new ATOM 0 HG3 MET A 76 42.649 13.954 1.834 1.00 0.00 H new ATOM 0 HE1 MET A 76 40.704 15.470 5.558 1.00 0.00 H new ATOM 0 HE2 MET A 76 41.814 14.128 5.925 1.00 0.00 H new ATOM 0 HE3 MET A 76 42.399 15.544 5.020 1.00 0.00 H new ATOM 1183 N TRP A 77 46.259 13.071 3.753 1.00 0.00 N ATOM 1184 CA TRP A 77 47.314 14.023 4.080 1.00 0.00 C ATOM 1185 C TRP A 77 48.649 13.579 3.491 1.00 0.00 C ATOM 1186 O TRP A 77 49.014 12.406 3.571 1.00 0.00 O ATOM 1187 CB TRP A 77 47.439 14.176 5.597 1.00 0.00 C ATOM 1188 CG TRP A 77 46.120 14.362 6.285 1.00 0.00 C ATOM 1189 CD1 TRP A 77 45.225 13.386 6.618 1.00 0.00 C ATOM 1190 CD2 TRP A 77 45.549 15.600 6.723 1.00 0.00 C ATOM 1191 NE1 TRP A 77 44.131 13.943 7.236 1.00 0.00 N ATOM 1192 CE2 TRP A 77 44.306 15.299 7.313 1.00 0.00 C ATOM 1193 CE3 TRP A 77 45.967 16.932 6.675 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 43.479 16.283 7.849 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 45.145 17.908 7.208 1.00 0.00 C ATOM 1196 CH2 TRP A 77 43.913 17.579 7.789 1.00 0.00 C ATOM 0 H TRP A 77 46.088 12.367 4.471 1.00 0.00 H new ATOM 0 HA TRP A 77 47.048 14.986 3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 77 47.932 13.294 6.005 1.00 0.00 H new ATOM 0 HB3 TRP A 77 48.080 15.030 5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 77 45.357 12.332 6.424 1.00 0.00 H new ATOM 0 HE1 TRP A 77 43.320 13.430 7.581 1.00 0.00 H new ATOM 0 HE3 TRP A 77 46.915 17.195 6.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 42.529 16.032 8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 45.458 18.941 7.176 1.00 0.00 H new ATOM 0 HH2 TRP A 77 43.294 18.364 8.197 1.00 0.00 H new ATOM 1207 N ARG A 78 49.373 14.523 2.900 1.00 0.00 N ATOM 1208 CA ARG A 78 50.667 14.228 2.296 1.00 0.00 C ATOM 1209 C ARG A 78 51.670 13.776 3.353 1.00 0.00 C ATOM 1210 O ARG A 78 52.343 12.758 3.190 1.00 0.00 O ATOM 1211 CB ARG A 78 51.204 15.458 1.562 1.00 0.00 C ATOM 1212 CG ARG A 78 52.566 15.240 0.923 1.00 0.00 C ATOM 1213 CD ARG A 78 52.490 14.245 -0.224 1.00 0.00 C ATOM 1214 NE ARG A 78 53.686 14.283 -1.061 1.00 0.00 N ATOM 1215 CZ ARG A 78 53.942 15.253 -1.932 1.00 0.00 C ATOM 1216 NH1 ARG A 78 53.092 16.259 -2.078 1.00 0.00 N ATOM 1217 NH2 ARG A 78 55.052 15.218 -2.658 1.00 0.00 N ATOM 0 H ARG A 78 49.086 15.499 2.826 1.00 0.00 H new ATOM 0 HA ARG A 78 50.529 13.418 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 78 50.492 15.749 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 51.270 16.289 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 78 52.954 16.191 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 78 53.268 14.878 1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 78 52.359 13.240 0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 78 51.613 14.462 -0.834 1.00 0.00 H new ATOM 0 HE ARG A 78 54.361 13.524 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 78 52.238 16.290 -1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 78 53.292 17.002 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 78 55.709 14.446 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 78 55.248 15.963 -3.327 1.00 0.00 H new ATOM 1231 N ASP A 79 51.764 14.539 4.437 1.00 0.00 N ATOM 1232 CA ASP A 79 52.684 14.217 5.521 1.00 0.00 C ATOM 1233 C ASP A 79 52.482 12.781 5.996 1.00 0.00 C ATOM 1234 O ASP A 79 53.446 12.070 6.280 1.00 0.00 O ATOM 1235 CB ASP A 79 52.488 15.185 6.689 1.00 0.00 C ATOM 1236 CG ASP A 79 51.025 15.443 6.989 1.00 0.00 C ATOM 1237 OD1 ASP A 79 50.441 16.349 6.359 1.00 0.00 O ATOM 1238 OD2 ASP A 79 50.463 14.738 7.854 1.00 0.00 O ATOM 0 H ASP A 79 51.214 15.385 4.588 1.00 0.00 H new ATOM 0 HA ASP A 79 53.701 14.317 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 79 52.972 14.780 7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 79 52.981 16.130 6.460 1.00 0.00 H new ATOM 1243 N SER A 80 51.224 12.362 6.081 1.00 0.00 N ATOM 1244 CA SER A 80 50.896 11.013 6.526 1.00 0.00 C ATOM 1245 C SER A 80 51.264 9.985 5.461 1.00 0.00 C ATOM 1246 O SER A 80 51.848 8.943 5.761 1.00 0.00 O ATOM 1247 CB SER A 80 49.406 10.910 6.857 1.00 0.00 C ATOM 1248 OG SER A 80 49.098 11.617 8.046 1.00 0.00 O ATOM 0 H SER A 80 50.415 12.937 5.847 1.00 0.00 H new ATOM 0 HA SER A 80 51.476 10.803 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 80 48.818 11.309 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 80 49.127 9.862 6.970 1.00 0.00 H new ATOM 0 HG SER A 80 48.140 11.537 8.235 1.00 0.00 H new ATOM 1254 N PHE A 81 50.917 10.285 4.213 1.00 0.00 N ATOM 1255 CA PHE A 81 51.209 9.387 3.101 1.00 0.00 C ATOM 1256 C PHE A 81 52.678 8.973 3.109 1.00 0.00 C ATOM 1257 O PHE A 81 52.999 7.785 3.159 1.00 0.00 O ATOM 1258 CB PHE A 81 50.864 10.060 1.771 1.00 0.00 C ATOM 1259 CG PHE A 81 51.613 9.491 0.600 1.00 0.00 C ATOM 1260 CD1 PHE A 81 51.392 8.188 0.186 1.00 0.00 C ATOM 1261 CD2 PHE A 81 52.539 10.260 -0.087 1.00 0.00 C ATOM 1262 CE1 PHE A 81 52.079 7.661 -0.892 1.00 0.00 C ATOM 1263 CE2 PHE A 81 53.229 9.740 -1.165 1.00 0.00 C ATOM 1264 CZ PHE A 81 52.999 8.438 -1.568 1.00 0.00 C ATOM 0 H PHE A 81 50.433 11.143 3.947 1.00 0.00 H new ATOM 0 HA PHE A 81 50.597 8.493 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 81 49.794 9.962 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 81 51.078 11.126 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 81 50.674 7.576 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 81 52.723 11.278 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 81 51.896 6.644 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 81 53.947 10.350 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 81 53.538 8.029 -2.410 1.00 0.00 H new ATOM 1274 N HIS A 82 53.566 9.960 3.057 1.00 0.00 N ATOM 1275 CA HIS A 82 55.001 9.699 3.057 1.00 0.00 C ATOM 1276 C HIS A 82 55.448 9.125 4.398 1.00 0.00 C ATOM 1277 O HIS A 82 56.267 8.207 4.449 1.00 0.00 O ATOM 1278 CB HIS A 82 55.774 10.983 2.756 1.00 0.00 C ATOM 1279 CG HIS A 82 56.013 11.210 1.295 1.00 0.00 C ATOM 1280 ND1 HIS A 82 55.987 12.460 0.713 1.00 0.00 N ATOM 1281 CD2 HIS A 82 56.286 10.337 0.297 1.00 0.00 C ATOM 1282 CE1 HIS A 82 56.232 12.346 -0.580 1.00 0.00 C ATOM 1283 NE2 HIS A 82 56.417 11.068 -0.858 1.00 0.00 N ATOM 0 H HIS A 82 53.317 10.948 3.014 1.00 0.00 H new ATOM 0 HA HIS A 82 55.212 8.966 2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 82 55.224 11.832 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 82 56.734 10.949 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 82 56.383 9.266 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 82 56.274 13.159 -1.289 1.00 0.00 H new ATOM 0 HE2 HIS A 82 56.624 10.686 -1.781 1.00 0.00 H new ATOM 1291 N ARG A 83 54.905 9.671 5.481 1.00 0.00 N ATOM 1292 CA ARG A 83 55.250 9.214 6.822 1.00 0.00 C ATOM 1293 C ARG A 83 55.100 7.699 6.935 1.00 0.00 C ATOM 1294 O ARG A 83 56.003 7.009 7.409 1.00 0.00 O ATOM 1295 CB ARG A 83 54.366 9.904 7.862 1.00 0.00 C ATOM 1296 CG ARG A 83 54.481 9.304 9.254 1.00 0.00 C ATOM 1297 CD ARG A 83 53.313 9.714 10.136 1.00 0.00 C ATOM 1298 NE ARG A 83 52.118 8.919 9.867 1.00 0.00 N ATOM 1299 CZ ARG A 83 51.915 7.705 10.368 1.00 0.00 C ATOM 1300 NH1 ARG A 83 52.822 7.151 11.160 1.00 0.00 N ATOM 1301 NH2 ARG A 83 50.802 7.044 10.077 1.00 0.00 N ATOM 0 H ARG A 83 54.224 10.430 5.456 1.00 0.00 H new ATOM 0 HA ARG A 83 56.292 9.474 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 83 54.631 10.960 7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 83 53.327 9.850 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 83 54.519 8.217 9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 83 55.416 9.625 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 83 53.594 9.603 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 83 53.090 10.769 9.975 1.00 0.00 H new ATOM 0 HE ARG A 83 51.400 9.317 9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 83 53.678 7.657 11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 83 52.664 6.219 11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 83 50.102 7.468 9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 83 50.647 6.112 10.462 1.00 0.00 H new ATOM 1315 N HIS A 84 53.953 7.189 6.498 1.00 0.00 N ATOM 1316 CA HIS A 84 53.684 5.756 6.551 1.00 0.00 C ATOM 1317 C HIS A 84 54.512 5.010 5.509 1.00 0.00 C ATOM 1318 O HIS A 84 55.311 4.137 5.845 1.00 0.00 O ATOM 1319 CB HIS A 84 52.196 5.487 6.326 1.00 0.00 C ATOM 1320 CG HIS A 84 51.913 4.132 5.753 1.00 0.00 C ATOM 1321 ND1 HIS A 84 51.391 3.094 6.496 1.00 0.00 N ATOM 1322 CD2 HIS A 84 52.080 3.649 4.499 1.00 0.00 C ATOM 1323 CE1 HIS A 84 51.252 2.031 5.725 1.00 0.00 C ATOM 1324 NE2 HIS A 84 51.662 2.341 4.508 1.00 0.00 N ATOM 0 H HIS A 84 53.195 7.746 6.103 1.00 0.00 H new ATOM 0 HA HIS A 84 53.965 5.394 7.540 1.00 0.00 H new ATOM 0 HB2 HIS A 84 51.669 5.589 7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 84 51.795 6.247 5.656 1.00 0.00 H new ATOM 0 HD1 HIS A 84 51.150 3.140 7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 84 52.469 4.191 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 84 50.868 1.071 6.037 1.00 0.00 H new ATOM 1332 N VAL A 85 54.314 5.360 4.242 1.00 0.00 N ATOM 1333 CA VAL A 85 55.041 4.723 3.150 1.00 0.00 C ATOM 1334 C VAL A 85 56.515 4.548 3.500 1.00 0.00 C ATOM 1335 O VAL A 85 57.108 3.503 3.234 1.00 0.00 O ATOM 1336 CB VAL A 85 54.928 5.540 1.849 1.00 0.00 C ATOM 1337 CG1 VAL A 85 55.679 4.851 0.719 1.00 0.00 C ATOM 1338 CG2 VAL A 85 53.468 5.751 1.478 1.00 0.00 C ATOM 0 H VAL A 85 53.656 6.081 3.946 1.00 0.00 H new ATOM 0 HA VAL A 85 54.588 3.744 2.996 1.00 0.00 H new ATOM 0 HB VAL A 85 55.383 6.517 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 85 55.588 5.442 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 85 56.731 4.756 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 85 55.256 3.860 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 85 53.407 6.330 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 85 52.986 4.784 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 85 52.963 6.290 2.280 1.00 0.00 H new ATOM 1348 N THR A 86 57.101 5.580 4.100 1.00 0.00 N ATOM 1349 CA THR A 86 58.506 5.541 4.487 1.00 0.00 C ATOM 1350 C THR A 86 58.837 4.250 5.227 1.00 0.00 C ATOM 1351 O THR A 86 59.834 3.592 4.931 1.00 0.00 O ATOM 1352 CB THR A 86 58.876 6.741 5.380 1.00 0.00 C ATOM 1353 OG1 THR A 86 58.720 7.962 4.648 1.00 0.00 O ATOM 1354 CG2 THR A 86 60.308 6.622 5.879 1.00 0.00 C ATOM 0 H THR A 86 56.624 6.452 4.328 1.00 0.00 H new ATOM 0 HA THR A 86 59.089 5.589 3.567 1.00 0.00 H new ATOM 0 HB THR A 86 58.207 6.746 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.865 8.378 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 86 60.547 7.480 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 86 60.416 5.706 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 86 60.989 6.595 5.028 1.00 0.00 H new ATOM 1362 N SER A 87 57.994 3.893 6.190 1.00 0.00 N ATOM 1363 CA SER A 87 58.199 2.681 6.975 1.00 0.00 C ATOM 1364 C SER A 87 57.686 1.455 6.226 1.00 0.00 C ATOM 1365 O SER A 87 58.390 0.453 6.096 1.00 0.00 O ATOM 1366 CB SER A 87 57.493 2.799 8.328 1.00 0.00 C ATOM 1367 OG SER A 87 57.715 1.645 9.120 1.00 0.00 O ATOM 0 H SER A 87 57.162 4.426 6.446 1.00 0.00 H new ATOM 0 HA SER A 87 59.270 2.562 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 87 57.855 3.681 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 87 56.423 2.937 8.173 1.00 0.00 H new ATOM 0 HG SER A 87 57.255 1.745 9.980 1.00 0.00 H new ATOM 1373 N CYS A 88 56.455 1.542 5.735 1.00 0.00 N ATOM 1374 CA CYS A 88 55.845 0.442 4.999 1.00 0.00 C ATOM 1375 C CYS A 88 56.846 -0.189 4.035 1.00 0.00 C ATOM 1376 O CYS A 88 56.777 -1.384 3.743 1.00 0.00 O ATOM 1377 CB CYS A 88 54.618 0.934 4.227 1.00 0.00 C ATOM 1378 SG CYS A 88 53.598 -0.401 3.523 1.00 0.00 S ATOM 0 H CYS A 88 55.860 2.364 5.834 1.00 0.00 H new ATOM 0 HA CYS A 88 55.533 -0.315 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 88 54.000 1.536 4.893 1.00 0.00 H new ATOM 0 HB3 CYS A 88 54.948 1.589 3.420 1.00 0.00 H new ATOM 0 HG CYS A 88 52.406 0.051 3.270 1.00 0.00 H new ATOM 1383 N THR A 89 57.778 0.622 3.544 1.00 0.00 N ATOM 1384 CA THR A 89 58.792 0.145 2.613 1.00 0.00 C ATOM 1385 C THR A 89 59.933 -0.548 3.350 1.00 0.00 C ATOM 1386 O THR A 89 60.371 -1.630 2.961 1.00 0.00 O ATOM 1387 CB THR A 89 59.367 1.298 1.769 1.00 0.00 C ATOM 1388 OG1 THR A 89 58.305 2.126 1.282 1.00 0.00 O ATOM 1389 CG2 THR A 89 60.175 0.761 0.597 1.00 0.00 C ATOM 0 H THR A 89 57.851 1.613 3.776 1.00 0.00 H new ATOM 0 HA THR A 89 58.302 -0.570 1.952 1.00 0.00 H new ATOM 0 HB THR A 89 60.027 1.889 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 89 57.960 2.679 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 89 60.571 1.594 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 89 61.000 0.155 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 89 59.534 0.149 -0.037 1.00 0.00 H new ATOM 1397 N LYS A 90 60.410 0.083 4.418 1.00 0.00 N ATOM 1398 CA LYS A 90 61.499 -0.472 5.212 1.00 0.00 C ATOM 1399 C LYS A 90 61.417 -1.995 5.258 1.00 0.00 C ATOM 1400 O LYS A 90 62.358 -2.689 4.873 1.00 0.00 O ATOM 1401 CB LYS A 90 61.462 0.094 6.633 1.00 0.00 C ATOM 1402 CG LYS A 90 61.868 1.555 6.716 1.00 0.00 C ATOM 1403 CD LYS A 90 63.370 1.726 6.561 1.00 0.00 C ATOM 1404 CE LYS A 90 64.102 1.432 7.862 1.00 0.00 C ATOM 1405 NZ LYS A 90 65.434 2.095 7.911 1.00 0.00 N ATOM 0 H LYS A 90 60.059 0.980 4.753 1.00 0.00 H new ATOM 0 HA LYS A 90 62.440 -0.190 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 90 60.454 -0.018 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 90 62.124 -0.495 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 90 61.354 2.121 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 90 61.551 1.968 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 90 63.734 1.060 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 90 63.590 2.744 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 90 63.497 1.770 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 90 64.228 0.355 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 65.901 1.870 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 66.021 1.754 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 65.312 3.125 7.831 1.00 0.00 H new ATOM 1419 N SER A 91 60.285 -2.508 5.729 1.00 0.00 N ATOM 1420 CA SER A 91 60.081 -3.948 5.827 1.00 0.00 C ATOM 1421 C SER A 91 60.258 -4.616 4.467 1.00 0.00 C ATOM 1422 O SER A 91 61.019 -5.574 4.327 1.00 0.00 O ATOM 1423 CB SER A 91 58.687 -4.251 6.380 1.00 0.00 C ATOM 1424 OG SER A 91 58.608 -3.944 7.761 1.00 0.00 O ATOM 0 H SER A 91 59.495 -1.947 6.049 1.00 0.00 H new ATOM 0 HA SER A 91 60.830 -4.350 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 91 57.942 -3.673 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 91 58.452 -5.304 6.224 1.00 0.00 H new ATOM 0 HG SER A 91 57.707 -4.145 8.090 1.00 0.00 H new ATOM 1430 N TYR A 92 59.549 -4.103 3.467 1.00 0.00 N ATOM 1431 CA TYR A 92 59.624 -4.650 2.118 1.00 0.00 C ATOM 1432 C TYR A 92 61.074 -4.764 1.656 1.00 0.00 C ATOM 1433 O TYR A 92 61.563 -5.859 1.378 1.00 0.00 O ATOM 1434 CB TYR A 92 58.836 -3.772 1.144 1.00 0.00 C ATOM 1435 CG TYR A 92 58.700 -4.371 -0.237 1.00 0.00 C ATOM 1436 CD1 TYR A 92 59.807 -4.516 -1.064 1.00 0.00 C ATOM 1437 CD2 TYR A 92 57.465 -4.790 -0.716 1.00 0.00 C ATOM 1438 CE1 TYR A 92 59.688 -5.062 -2.328 1.00 0.00 C ATOM 1439 CE2 TYR A 92 57.337 -5.339 -1.978 1.00 0.00 C ATOM 1440 CZ TYR A 92 58.451 -5.472 -2.780 1.00 0.00 C ATOM 1441 OH TYR A 92 58.328 -6.016 -4.038 1.00 0.00 O ATOM 0 H TYR A 92 58.916 -3.309 3.566 1.00 0.00 H new ATOM 0 HA TYR A 92 59.186 -5.648 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.842 -3.593 1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 92 59.327 -2.802 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 92 60.777 -4.197 -0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 92 56.590 -4.685 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 92 60.559 -5.167 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 92 56.370 -5.662 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 92 57.391 -6.254 -4.202 1.00 0.00 H new ATOM 1451 N GLU A 93 61.755 -3.625 1.578 1.00 0.00 N ATOM 1452 CA GLU A 93 63.149 -3.597 1.151 1.00 0.00 C ATOM 1453 C GLU A 93 63.959 -4.675 1.865 1.00 0.00 C ATOM 1454 O GLU A 93 64.767 -5.370 1.249 1.00 0.00 O ATOM 1455 CB GLU A 93 63.761 -2.221 1.421 1.00 0.00 C ATOM 1456 CG GLU A 93 63.303 -1.149 0.447 1.00 0.00 C ATOM 1457 CD GLU A 93 63.983 0.185 0.685 1.00 0.00 C ATOM 1458 OE1 GLU A 93 63.675 0.835 1.706 1.00 0.00 O ATOM 1459 OE2 GLU A 93 64.823 0.579 -0.151 1.00 0.00 O ATOM 0 H GLU A 93 61.364 -2.710 1.805 1.00 0.00 H new ATOM 0 HA GLU A 93 63.178 -3.795 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 93 63.506 -1.912 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 93 64.847 -2.301 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 93 63.505 -1.479 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 93 62.224 -1.023 0.533 1.00 0.00 H new