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 149:sc= 0.655 USER MOD Set 1.2: A 71 CYS SG : rot -17:sc= 0.175 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -2.72! K(o=-2.7!,f=-3.3) USER MOD Set 1.4: A 88 CYS SG : rot 160:sc= -0.834 USER MOD Set 2.1: A 40 CYS SG : rot 9:sc= -1.9 USER MOD Set 2.2: A 43 CYS SG : rot -60:sc= -1 USER MOD Set 2.3: A 56 HIS : no HD1:sc= -4.96! X(o=-17!,f=-18) USER MOD Set 2.4: A 57 MET CE :methyl 175:sc= -4.85! (180deg=-2.84!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -4.69! C(o=-17!,f=-19!) USER MOD Set 3.1: A 14 GLN : amide:sc= -0.188 X(o=-0.69,f=-0.45) USER MOD Set 3.2: A 29 MET CE :methyl 141:sc= -0.499 (180deg=-2.4!) USER MOD Set 4.1: A 13 CYS SG : rot -167:sc= -0.772 USER MOD Set 4.2: A 15 CYS SG : rot -61:sc= -0.159 USER MOD Set 4.3: A 28 HIS : no HD1:sc= -1.33 K(o=-6.5,f=-5.2) USER MOD Set 4.4: A 31 MET CE :methyl -145:sc= -0.86 (180deg=-0.225) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -3.34 K(o=-6.5,f=-5.2) USER MOD Set 5.1: A 11 TYR OH : rot -15:sc= 0.9 USER MOD Set 5.2: A 21 HIS : no HD1:sc= -0.131 X(o=1.8,f=1.3) USER MOD Set 5.3: A 22 LYS NZ :NH3+ -122:sc= 1.03 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 21:sc= 0.189 USER MOD Single : A 20 THR OG1 : rot 180:sc= 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=-0.49) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 1.43 (180deg=0.951) 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 51 HIS : no HD1:sc= -3.11! K(o=-3.1!,f=-2) USER MOD Single : A 52 HIS : no HD1:sc= -4.43 K(o=-4.4,f=-6.4!) USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= -0.932 (180deg=-2.91!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.621 K(o=-0.62,f=-3.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.027) USER MOD Single : A 86 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 72:sc= 0.478 USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= -0.0105 (180deg=-0.995) 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 1.343 6.846 16.588 1.00 0.00 N ATOM 120 CA TYR A 11 2.775 6.727 16.837 1.00 0.00 C ATOM 121 C TYR A 11 3.565 6.834 15.537 1.00 0.00 C ATOM 122 O TYR A 11 3.472 5.983 14.652 1.00 0.00 O ATOM 123 CB TYR A 11 3.085 5.398 17.528 1.00 0.00 C ATOM 124 CG TYR A 11 2.506 5.290 18.921 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.142 5.436 19.141 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.324 5.041 20.016 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.610 5.339 20.412 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.800 4.941 21.290 1.00 0.00 C ATOM 129 CZ TYR A 11 1.442 5.091 21.483 1.00 0.00 C ATOM 130 OH TYR A 11 0.915 4.992 22.751 1.00 0.00 O ATOM 0 HA TYR A 11 3.074 7.547 17.490 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.697 4.582 16.918 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.166 5.270 17.582 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.487 5.629 18.304 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.387 4.924 19.869 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.452 5.457 20.566 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.450 4.746 22.131 1.00 0.00 H new ATOM 0 HH TYR A 11 0.004 5.353 22.756 1.00 0.00 H new ATOM 140 N PRO A 12 4.363 7.905 15.417 1.00 0.00 N ATOM 141 CA PRO A 12 5.187 8.150 14.229 1.00 0.00 C ATOM 142 C PRO A 12 6.338 7.157 14.107 1.00 0.00 C ATOM 143 O PRO A 12 6.948 6.773 15.106 1.00 0.00 O ATOM 144 CB PRO A 12 5.724 9.565 14.455 1.00 0.00 C ATOM 145 CG PRO A 12 5.704 9.746 15.933 1.00 0.00 C ATOM 146 CD PRO A 12 4.523 8.960 16.431 1.00 0.00 C ATOM 0 HA PRO A 12 4.616 8.038 13.307 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.733 9.674 14.056 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.102 10.309 13.957 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.630 9.386 16.383 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.610 10.800 16.196 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.707 8.542 17.420 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.631 9.581 16.509 1.00 0.00 H new ATOM 154 N CYS A 13 6.630 6.744 12.879 1.00 0.00 N ATOM 155 CA CYS A 13 7.708 5.796 12.626 1.00 0.00 C ATOM 156 C CYS A 13 8.877 6.477 11.920 1.00 0.00 C ATOM 157 O CYS A 13 8.724 7.552 11.341 1.00 0.00 O ATOM 158 CB CYS A 13 7.199 4.627 11.780 1.00 0.00 C ATOM 159 SG CYS A 13 8.419 3.295 11.541 1.00 0.00 S ATOM 0 H CYS A 13 6.134 7.051 12.042 1.00 0.00 H new ATOM 0 HA CYS A 13 8.057 5.417 13.586 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.310 4.210 12.253 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.893 5.005 10.804 1.00 0.00 H new ATOM 0 HG CYS A 13 8.004 2.488 10.610 1.00 0.00 H new ATOM 164 N GLN A 14 10.044 5.842 11.973 1.00 0.00 N ATOM 165 CA GLN A 14 11.238 6.386 11.339 1.00 0.00 C ATOM 166 C GLN A 14 10.949 6.807 9.902 1.00 0.00 C ATOM 167 O GLN A 14 11.363 7.880 9.462 1.00 0.00 O ATOM 168 CB GLN A 14 12.369 5.356 11.364 1.00 0.00 C ATOM 169 CG GLN A 14 13.582 5.764 10.543 1.00 0.00 C ATOM 170 CD GLN A 14 14.323 4.574 9.966 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.749 4.594 8.811 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.482 3.529 10.770 1.00 0.00 N ATOM 0 H GLN A 14 10.187 4.951 12.448 1.00 0.00 H new ATOM 0 HA GLN A 14 11.547 7.268 11.901 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.678 5.193 12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.991 4.404 10.990 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.263 6.417 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.262 6.342 11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.112 3.556 11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.974 2.700 10.437 1.00 0.00 H new ATOM 181 N CYS A 15 10.236 5.954 9.173 1.00 0.00 N ATOM 182 CA CYS A 15 9.892 6.235 7.785 1.00 0.00 C ATOM 183 C CYS A 15 8.966 7.445 7.689 1.00 0.00 C ATOM 184 O CYS A 15 8.997 8.187 6.709 1.00 0.00 O ATOM 185 CB CYS A 15 9.224 5.016 7.146 1.00 0.00 C ATOM 186 SG CYS A 15 7.767 4.406 8.054 1.00 0.00 S ATOM 0 H CYS A 15 9.885 5.062 9.522 1.00 0.00 H new ATOM 0 HA CYS A 15 10.813 6.460 7.247 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.925 5.270 6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.956 4.211 7.071 1.00 0.00 H new ATOM 0 HG CYS A 15 8.121 4.048 9.253 1.00 0.00 H new ATOM 191 N GLY A 16 8.143 7.636 8.715 1.00 0.00 N ATOM 192 CA GLY A 16 7.220 8.757 8.727 1.00 0.00 C ATOM 193 C GLY A 16 5.787 8.325 8.970 1.00 0.00 C ATOM 194 O GLY A 16 4.946 9.133 9.363 1.00 0.00 O ATOM 0 H GLY A 16 8.098 7.035 9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.520 9.463 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.281 9.284 7.775 1.00 0.00 H new ATOM 198 N LYS A 17 5.508 7.048 8.734 1.00 0.00 N ATOM 199 CA LYS A 17 4.167 6.509 8.929 1.00 0.00 C ATOM 200 C LYS A 17 3.714 6.686 10.375 1.00 0.00 C ATOM 201 O LYS A 17 4.495 7.094 11.234 1.00 0.00 O ATOM 202 CB LYS A 17 4.131 5.027 8.549 1.00 0.00 C ATOM 203 CG LYS A 17 4.430 4.767 7.083 1.00 0.00 C ATOM 204 CD LYS A 17 4.283 3.295 6.736 1.00 0.00 C ATOM 205 CE LYS A 17 2.866 2.965 6.294 1.00 0.00 C ATOM 206 NZ LYS A 17 2.625 3.344 4.875 1.00 0.00 N ATOM 0 H LYS A 17 6.193 6.366 8.407 1.00 0.00 H new ATOM 0 HA LYS A 17 3.483 7.060 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.854 4.486 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.147 4.623 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.755 5.357 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.443 5.096 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.983 3.036 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.546 2.688 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.686 1.897 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.155 3.486 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.648 3.103 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.772 4.367 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.286 2.827 4.261 1.00 0.00 H new ATOM 220 N SER A 18 2.449 6.374 10.636 1.00 0.00 N ATOM 221 CA SER A 18 1.892 6.500 11.978 1.00 0.00 C ATOM 222 C SER A 18 1.050 5.279 12.334 1.00 0.00 C ATOM 223 O SER A 18 0.147 4.895 11.590 1.00 0.00 O ATOM 224 CB SER A 18 1.042 7.768 12.083 1.00 0.00 C ATOM 225 OG SER A 18 -0.100 7.687 11.249 1.00 0.00 O ATOM 0 H SER A 18 1.790 6.032 9.936 1.00 0.00 H new ATOM 0 HA SER A 18 2.720 6.566 12.684 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.731 7.916 13.117 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.640 8.635 11.802 1.00 0.00 H new ATOM 0 HG SER A 18 -0.288 6.748 11.042 1.00 0.00 H new ATOM 231 N PHE A 19 1.352 4.672 13.476 1.00 0.00 N ATOM 232 CA PHE A 19 0.624 3.493 13.932 1.00 0.00 C ATOM 233 C PHE A 19 -0.171 3.801 15.197 1.00 0.00 C ATOM 234 O PHE A 19 0.272 4.567 16.054 1.00 0.00 O ATOM 235 CB PHE A 19 1.594 2.339 14.193 1.00 0.00 C ATOM 236 CG PHE A 19 2.407 1.954 12.990 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.419 2.781 12.529 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.159 0.767 12.321 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.168 2.430 11.422 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.905 0.411 11.213 1.00 0.00 C ATOM 241 CZ PHE A 19 3.911 1.243 10.764 1.00 0.00 C ATOM 0 H PHE A 19 2.096 4.977 14.104 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.074 3.201 13.148 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.268 2.618 15.003 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.030 1.471 14.533 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.624 3.710 13.040 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.374 0.112 12.669 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.954 3.083 11.072 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.701 -0.517 10.699 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.496 0.966 9.900 1.00 0.00 H new ATOM 251 N THR A 20 -1.351 3.198 15.309 1.00 0.00 N ATOM 252 CA THR A 20 -2.210 3.407 16.467 1.00 0.00 C ATOM 253 C THR A 20 -1.546 2.903 17.743 1.00 0.00 C ATOM 254 O THR A 20 -1.873 3.347 18.844 1.00 0.00 O ATOM 255 CB THR A 20 -3.568 2.700 16.295 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.123 3.013 15.013 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.538 3.118 17.389 1.00 0.00 C ATOM 0 H THR A 20 -1.733 2.560 14.611 1.00 0.00 H new ATOM 0 HA THR A 20 -2.376 4.481 16.547 1.00 0.00 H new ATOM 0 HB THR A 20 -3.405 1.625 16.368 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.985 2.559 14.910 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.490 2.606 17.247 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.125 2.853 18.362 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.695 4.196 17.343 1.00 0.00 H new ATOM 265 N HIS A 21 -0.609 1.971 17.589 1.00 0.00 N ATOM 266 CA HIS A 21 0.103 1.407 18.730 1.00 0.00 C ATOM 267 C HIS A 21 1.609 1.595 18.577 1.00 0.00 C ATOM 268 O HIS A 21 2.103 1.877 17.485 1.00 0.00 O ATOM 269 CB HIS A 21 -0.225 -0.079 18.878 1.00 0.00 C ATOM 270 CG HIS A 21 -1.425 -0.345 19.734 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.646 0.289 20.939 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.475 -1.180 19.553 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.778 -0.147 21.463 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.300 -1.039 20.641 1.00 0.00 N ATOM 0 H HIS A 21 -0.326 1.591 16.686 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.222 1.934 19.627 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.392 -0.506 17.889 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.637 -0.592 19.305 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.634 -1.835 18.709 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.204 0.172 22.403 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.175 -1.542 20.790 1.00 0.00 H new ATOM 282 N LYS A 22 2.335 1.437 19.679 1.00 0.00 N ATOM 283 CA LYS A 22 3.785 1.588 19.668 1.00 0.00 C ATOM 284 C LYS A 22 4.459 0.331 19.129 1.00 0.00 C ATOM 285 O LYS A 22 5.410 0.410 18.350 1.00 0.00 O ATOM 286 CB LYS A 22 4.297 1.889 21.079 1.00 0.00 C ATOM 287 CG LYS A 22 3.432 1.299 22.179 1.00 0.00 C ATOM 288 CD LYS A 22 2.296 2.235 22.556 1.00 0.00 C ATOM 289 CE LYS A 22 1.122 1.475 23.154 1.00 0.00 C ATOM 290 NZ LYS A 22 -0.018 2.377 23.475 1.00 0.00 N ATOM 0 H LYS A 22 1.942 1.204 20.591 1.00 0.00 H new ATOM 0 HA LYS A 22 4.034 2.422 19.012 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.311 1.502 21.179 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.354 2.969 21.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.024 0.344 21.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.045 1.097 23.057 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.655 2.974 23.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.965 2.781 21.673 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.792 0.708 22.454 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.445 0.962 24.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.246 2.302 24.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.242 3.359 23.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.848 2.102 22.912 1.00 0.00 H new ATOM 304 N SER A 23 3.961 -0.828 19.546 1.00 0.00 N ATOM 305 CA SER A 23 4.517 -2.103 19.106 1.00 0.00 C ATOM 306 C SER A 23 4.412 -2.247 17.591 1.00 0.00 C ATOM 307 O SER A 23 5.270 -2.858 16.955 1.00 0.00 O ATOM 308 CB SER A 23 3.793 -3.263 19.792 1.00 0.00 C ATOM 309 OG SER A 23 4.636 -4.397 19.900 1.00 0.00 O ATOM 0 H SER A 23 3.173 -0.911 20.188 1.00 0.00 H new ATOM 0 HA SER A 23 5.571 -2.127 19.384 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.464 -2.955 20.784 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.899 -3.523 19.226 1.00 0.00 H new ATOM 0 HG SER A 23 4.151 -5.124 20.343 1.00 0.00 H new ATOM 315 N GLN A 24 3.354 -1.679 17.021 1.00 0.00 N ATOM 316 CA GLN A 24 3.136 -1.745 15.581 1.00 0.00 C ATOM 317 C GLN A 24 4.102 -0.826 14.841 1.00 0.00 C ATOM 318 O GLN A 24 4.544 -1.134 13.734 1.00 0.00 O ATOM 319 CB GLN A 24 1.693 -1.365 15.244 1.00 0.00 C ATOM 320 CG GLN A 24 0.680 -2.437 15.612 1.00 0.00 C ATOM 321 CD GLN A 24 -0.733 -2.070 15.203 1.00 0.00 C ATOM 322 OE1 GLN A 24 -1.604 -1.869 16.050 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.967 -1.979 13.899 1.00 0.00 N ATOM 0 H GLN A 24 2.635 -1.169 17.534 1.00 0.00 H new ATOM 0 HA GLN A 24 3.319 -2.770 15.258 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.438 -0.442 15.765 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.620 -1.159 14.176 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.960 -3.376 15.134 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.710 -2.606 16.688 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.215 -2.154 13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.899 -1.734 13.564 1.00 0.00 H new ATOM 332 N ARG A 25 4.426 0.305 15.460 1.00 0.00 N ATOM 333 CA ARG A 25 5.339 1.271 14.859 1.00 0.00 C ATOM 334 C ARG A 25 6.779 0.771 14.925 1.00 0.00 C ATOM 335 O ARG A 25 7.550 0.944 13.982 1.00 0.00 O ATOM 336 CB ARG A 25 5.223 2.622 15.567 1.00 0.00 C ATOM 337 CG ARG A 25 6.299 3.616 15.161 1.00 0.00 C ATOM 338 CD ARG A 25 7.516 3.522 16.068 1.00 0.00 C ATOM 339 NE ARG A 25 7.173 3.756 17.469 1.00 0.00 N ATOM 340 CZ ARG A 25 8.048 3.668 18.464 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.312 3.353 18.214 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.660 3.896 19.712 1.00 0.00 N ATOM 0 H ARG A 25 4.070 0.575 16.377 1.00 0.00 H new ATOM 0 HA ARG A 25 5.063 1.393 13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.244 3.052 15.354 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.274 2.464 16.644 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.598 3.429 14.129 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.894 4.627 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.969 2.536 15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.262 4.251 15.751 1.00 0.00 H new ATOM 0 HE ARG A 25 6.209 4.000 17.695 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.614 3.178 17.256 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.982 3.286 18.980 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.689 4.139 19.908 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.333 3.828 20.476 1.00 0.00 H new ATOM 356 N ASP A 26 7.134 0.151 16.046 1.00 0.00 N ATOM 357 CA ASP A 26 8.481 -0.374 16.235 1.00 0.00 C ATOM 358 C ASP A 26 8.767 -1.504 15.251 1.00 0.00 C ATOM 359 O ASP A 26 9.755 -1.467 14.518 1.00 0.00 O ATOM 360 CB ASP A 26 8.660 -0.873 17.670 1.00 0.00 C ATOM 361 CG ASP A 26 10.118 -0.973 18.070 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.736 -2.026 17.804 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.643 0.001 18.649 1.00 0.00 O ATOM 0 H ASP A 26 6.508 0.000 16.837 1.00 0.00 H new ATOM 0 HA ASP A 26 9.189 0.434 16.048 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.144 -0.198 18.353 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.190 -1.851 17.773 1.00 0.00 H new ATOM 368 N ARG A 27 7.896 -2.508 15.241 1.00 0.00 N ATOM 369 CA ARG A 27 8.056 -3.650 14.349 1.00 0.00 C ATOM 370 C ARG A 27 8.311 -3.189 12.917 1.00 0.00 C ATOM 371 O ARG A 27 8.999 -3.863 12.149 1.00 0.00 O ATOM 372 CB ARG A 27 6.813 -4.540 14.396 1.00 0.00 C ATOM 373 CG ARG A 27 5.573 -3.886 13.807 1.00 0.00 C ATOM 374 CD ARG A 27 4.468 -4.903 13.569 1.00 0.00 C ATOM 375 NE ARG A 27 4.626 -5.595 12.294 1.00 0.00 N ATOM 376 CZ ARG A 27 3.686 -6.360 11.750 1.00 0.00 C ATOM 377 NH1 ARG A 27 2.524 -6.527 12.368 1.00 0.00 N ATOM 378 NH2 ARG A 27 3.905 -6.957 10.586 1.00 0.00 N ATOM 0 H ARG A 27 7.072 -2.554 15.841 1.00 0.00 H new ATOM 0 HA ARG A 27 8.918 -4.225 14.687 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.018 -5.464 13.855 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.612 -4.814 15.432 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.215 -3.109 14.482 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.829 -3.398 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.466 -5.632 14.379 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.501 -4.400 13.591 1.00 0.00 H new ATOM 0 HE ARG A 27 5.507 -5.485 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.351 -6.068 13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.803 -7.115 11.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.796 -6.829 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.182 -7.544 10.170 1.00 0.00 H new ATOM 392 N HIS A 28 7.751 -2.037 12.563 1.00 0.00 N ATOM 393 CA HIS A 28 7.917 -1.486 11.222 1.00 0.00 C ATOM 394 C HIS A 28 9.271 -0.797 11.082 1.00 0.00 C ATOM 395 O HIS A 28 9.818 -0.700 9.984 1.00 0.00 O ATOM 396 CB HIS A 28 6.793 -0.496 10.912 1.00 0.00 C ATOM 397 CG HIS A 28 6.723 -0.103 9.468 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.309 1.042 8.971 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.133 -0.711 8.413 1.00 0.00 C ATOM 400 CE1 HIS A 28 7.081 1.122 7.672 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.369 0.070 7.309 1.00 0.00 N ATOM 0 H HIS A 28 7.178 -1.467 13.185 1.00 0.00 H new ATOM 0 HA HIS A 28 7.873 -2.309 10.509 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.840 -0.936 11.207 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.931 0.400 11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.579 -1.638 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.419 1.913 7.018 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.047 -0.130 6.362 1.00 0.00 H new ATOM 409 N MET A 29 9.805 -0.320 12.202 1.00 0.00 N ATOM 410 CA MET A 29 11.096 0.360 12.203 1.00 0.00 C ATOM 411 C MET A 29 12.223 -0.614 11.878 1.00 0.00 C ATOM 412 O MET A 29 13.074 -0.334 11.034 1.00 0.00 O ATOM 413 CB MET A 29 11.349 1.017 13.561 1.00 0.00 C ATOM 414 CG MET A 29 10.757 2.411 13.682 1.00 0.00 C ATOM 415 SD MET A 29 11.434 3.335 15.074 1.00 0.00 S ATOM 416 CE MET A 29 13.182 3.299 14.686 1.00 0.00 C ATOM 0 H MET A 29 9.365 -0.391 13.119 1.00 0.00 H new ATOM 0 HA MET A 29 11.073 1.131 11.433 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.931 0.385 14.345 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.424 1.071 13.734 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.944 2.962 12.760 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.676 2.334 13.794 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.630 4.261 14.934 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.667 2.513 15.265 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.315 3.100 13.622 1.00 0.00 H new ATOM 426 N SER A 30 12.224 -1.759 12.553 1.00 0.00 N ATOM 427 CA SER A 30 13.249 -2.773 12.338 1.00 0.00 C ATOM 428 C SER A 30 13.424 -3.063 10.851 1.00 0.00 C ATOM 429 O SER A 30 14.545 -3.146 10.350 1.00 0.00 O ATOM 430 CB SER A 30 12.888 -4.060 13.082 1.00 0.00 C ATOM 431 OG SER A 30 12.604 -3.799 14.445 1.00 0.00 O ATOM 0 H SER A 30 11.526 -2.008 13.254 1.00 0.00 H new ATOM 0 HA SER A 30 14.192 -2.389 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.023 -4.526 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.712 -4.770 13.009 1.00 0.00 H new ATOM 0 HG SER A 30 12.375 -4.637 14.898 1.00 0.00 H new ATOM 437 N MET A 31 12.305 -3.217 10.149 1.00 0.00 N ATOM 438 CA MET A 31 12.333 -3.496 8.718 1.00 0.00 C ATOM 439 C MET A 31 13.307 -2.567 8.001 1.00 0.00 C ATOM 440 O MET A 31 14.107 -3.007 7.175 1.00 0.00 O ATOM 441 CB MET A 31 10.933 -3.347 8.120 1.00 0.00 C ATOM 442 CG MET A 31 9.924 -4.336 8.681 1.00 0.00 C ATOM 443 SD MET A 31 8.562 -4.658 7.544 1.00 0.00 S ATOM 444 CE MET A 31 7.985 -2.993 7.226 1.00 0.00 C ATOM 0 H MET A 31 11.368 -3.153 10.548 1.00 0.00 H new ATOM 0 HA MET A 31 12.671 -4.523 8.580 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.575 -2.333 8.301 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.993 -3.475 7.039 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.430 -5.274 8.911 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.526 -3.950 9.619 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.902 -3.000 7.106 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.253 -2.349 8.063 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.449 -2.615 6.315 1.00 0.00 H new ATOM 454 N HIS A 32 13.234 -1.279 8.322 1.00 0.00 N ATOM 455 CA HIS A 32 14.110 -0.287 7.709 1.00 0.00 C ATOM 456 C HIS A 32 15.570 -0.720 7.802 1.00 0.00 C ATOM 457 O HIS A 32 16.382 -0.389 6.937 1.00 0.00 O ATOM 458 CB HIS A 32 13.925 1.074 8.382 1.00 0.00 C ATOM 459 CG HIS A 32 12.504 1.547 8.397 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.632 1.341 7.349 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.804 2.218 9.341 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.457 1.867 7.647 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.535 2.405 8.851 1.00 0.00 N ATOM 0 H HIS A 32 12.577 -0.898 9.003 1.00 0.00 H new ATOM 0 HA HIS A 32 13.841 -0.202 6.656 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.291 1.016 9.407 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.539 1.812 7.866 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.175 2.545 10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.582 1.859 7.014 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.776 2.882 9.338 1.00 0.00 H new ATOM 582 N CYS A 40 25.311 -15.767 2.022 1.00 0.00 N ATOM 583 CA CYS A 40 25.718 -16.870 1.160 1.00 0.00 C ATOM 584 C CYS A 40 26.989 -16.519 0.392 1.00 0.00 C ATOM 585 O CYS A 40 26.966 -15.703 -0.528 1.00 0.00 O ATOM 586 CB CYS A 40 24.596 -17.219 0.180 1.00 0.00 C ATOM 587 SG CYS A 40 25.072 -18.432 -1.093 1.00 0.00 S ATOM 0 HA CYS A 40 25.923 -17.735 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 40 23.747 -17.611 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 40 24.260 -16.306 -0.311 1.00 0.00 H new ATOM 0 HG CYS A 40 26.243 -18.920 -0.811 1.00 0.00 H new ATOM 592 N GLY A 41 28.098 -17.143 0.778 1.00 0.00 N ATOM 593 CA GLY A 41 29.363 -16.885 0.116 1.00 0.00 C ATOM 594 C GLY A 41 29.517 -17.675 -1.169 1.00 0.00 C ATOM 595 O GLY A 41 30.625 -18.068 -1.535 1.00 0.00 O ATOM 0 H GLY A 41 28.143 -17.823 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 41 29.444 -15.820 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 41 30.181 -17.134 0.792 1.00 0.00 H new ATOM 599 N VAL A 42 28.403 -17.910 -1.854 1.00 0.00 N ATOM 600 CA VAL A 42 28.419 -18.659 -3.105 1.00 0.00 C ATOM 601 C VAL A 42 27.830 -17.837 -4.246 1.00 0.00 C ATOM 602 O VAL A 42 28.423 -17.731 -5.320 1.00 0.00 O ATOM 603 CB VAL A 42 27.634 -19.978 -2.979 1.00 0.00 C ATOM 604 CG1 VAL A 42 27.702 -20.767 -4.278 1.00 0.00 C ATOM 605 CG2 VAL A 42 28.164 -20.804 -1.817 1.00 0.00 C ATOM 0 H VAL A 42 27.478 -17.593 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 42 29.462 -18.885 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 42 26.589 -19.740 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.142 -21.696 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.271 -20.176 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.742 -20.996 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 42 27.598 -21.732 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 42 29.217 -21.033 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.058 -20.239 -0.891 1.00 0.00 H new ATOM 615 N CYS A 43 26.659 -17.256 -4.006 1.00 0.00 N ATOM 616 CA CYS A 43 25.988 -16.442 -5.012 1.00 0.00 C ATOM 617 C CYS A 43 25.988 -14.970 -4.609 1.00 0.00 C ATOM 618 O CYS A 43 26.123 -14.085 -5.453 1.00 0.00 O ATOM 619 CB CYS A 43 24.552 -16.927 -5.215 1.00 0.00 C ATOM 620 SG CYS A 43 23.449 -16.597 -3.804 1.00 0.00 S ATOM 0 H CYS A 43 26.155 -17.334 -3.123 1.00 0.00 H new ATOM 0 HA CYS A 43 26.534 -16.544 -5.950 1.00 0.00 H new ATOM 0 HB2 CYS A 43 24.141 -16.448 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 43 24.566 -18.000 -5.408 1.00 0.00 H new ATOM 0 HG CYS A 43 23.906 -17.199 -2.746 1.00 0.00 H new ATOM 625 N GLY A 44 25.834 -14.717 -3.313 1.00 0.00 N ATOM 626 CA GLY A 44 25.819 -13.352 -2.821 1.00 0.00 C ATOM 627 C GLY A 44 24.496 -12.982 -2.179 1.00 0.00 C ATOM 628 O GLY A 44 24.074 -11.826 -2.231 1.00 0.00 O ATOM 0 H GLY A 44 25.719 -15.433 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.621 -13.222 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 44 26.023 -12.669 -3.646 1.00 0.00 H new ATOM 632 N LYS A 45 23.839 -13.964 -1.573 1.00 0.00 N ATOM 633 CA LYS A 45 22.556 -13.738 -0.919 1.00 0.00 C ATOM 634 C LYS A 45 22.743 -13.491 0.574 1.00 0.00 C ATOM 635 O LYS A 45 23.868 -13.462 1.074 1.00 0.00 O ATOM 636 CB LYS A 45 21.630 -14.937 -1.137 1.00 0.00 C ATOM 637 CG LYS A 45 20.774 -14.825 -2.386 1.00 0.00 C ATOM 638 CD LYS A 45 19.445 -15.543 -2.218 1.00 0.00 C ATOM 639 CE LYS A 45 18.365 -14.604 -1.705 1.00 0.00 C ATOM 640 NZ LYS A 45 18.292 -14.600 -0.218 1.00 0.00 N ATOM 0 H LYS A 45 24.174 -14.926 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 45 22.102 -12.852 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 22.232 -15.844 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.979 -15.045 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.595 -13.774 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.311 -15.247 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.136 -15.967 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.565 -16.375 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.564 -13.593 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.400 -14.902 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.320 -14.384 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.567 -15.535 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.939 -13.878 0.159 1.00 0.00 H new ATOM 654 N LYS A 46 21.633 -13.315 1.284 1.00 0.00 N ATOM 655 CA LYS A 46 21.673 -13.073 2.721 1.00 0.00 C ATOM 656 C LYS A 46 20.319 -13.364 3.360 1.00 0.00 C ATOM 657 O LYS A 46 19.276 -13.205 2.726 1.00 0.00 O ATOM 658 CB LYS A 46 22.083 -11.626 3.005 1.00 0.00 C ATOM 659 CG LYS A 46 23.435 -11.251 2.421 1.00 0.00 C ATOM 660 CD LYS A 46 23.896 -9.889 2.913 1.00 0.00 C ATOM 661 CE LYS A 46 24.997 -9.322 2.031 1.00 0.00 C ATOM 662 NZ LYS A 46 25.234 -7.877 2.299 1.00 0.00 N ATOM 0 H LYS A 46 20.694 -13.336 0.886 1.00 0.00 H new ATOM 0 HA LYS A 46 22.412 -13.745 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.324 -10.956 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.106 -11.469 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.172 -12.006 2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.373 -11.244 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.050 -9.201 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.257 -9.974 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.919 -9.878 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.729 -9.458 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.992 -7.528 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.361 -7.342 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.515 -7.750 3.292 1.00 0.00 H new ATOM 676 N PHE A 47 20.343 -13.788 4.619 1.00 0.00 N ATOM 677 CA PHE A 47 19.116 -14.100 5.344 1.00 0.00 C ATOM 678 C PHE A 47 19.217 -13.655 6.800 1.00 0.00 C ATOM 679 O PHE A 47 20.305 -13.614 7.375 1.00 0.00 O ATOM 680 CB PHE A 47 18.826 -15.600 5.276 1.00 0.00 C ATOM 681 CG PHE A 47 18.849 -16.153 3.879 1.00 0.00 C ATOM 682 CD1 PHE A 47 20.041 -16.260 3.182 1.00 0.00 C ATOM 683 CD2 PHE A 47 17.678 -16.565 3.264 1.00 0.00 C ATOM 684 CE1 PHE A 47 20.065 -16.767 1.896 1.00 0.00 C ATOM 685 CE2 PHE A 47 17.695 -17.073 1.978 1.00 0.00 C ATOM 686 CZ PHE A 47 18.891 -17.175 1.294 1.00 0.00 C ATOM 0 H PHE A 47 21.198 -13.924 5.159 1.00 0.00 H new ATOM 0 HA PHE A 47 18.297 -13.557 4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.561 -16.132 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.849 -15.793 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 47 20.962 -15.944 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.741 -16.489 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 47 21.001 -16.844 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 47 16.775 -17.389 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 47 18.908 -17.573 0.290 1.00 0.00 H new ATOM 696 N LYS A 48 18.075 -13.323 7.391 1.00 0.00 N ATOM 697 CA LYS A 48 18.031 -12.882 8.780 1.00 0.00 C ATOM 698 C LYS A 48 18.132 -14.070 9.732 1.00 0.00 C ATOM 699 O LYS A 48 18.851 -14.019 10.729 1.00 0.00 O ATOM 700 CB LYS A 48 16.741 -12.106 9.051 1.00 0.00 C ATOM 701 CG LYS A 48 16.790 -11.264 10.314 1.00 0.00 C ATOM 702 CD LYS A 48 17.435 -9.912 10.057 1.00 0.00 C ATOM 703 CE LYS A 48 16.406 -8.877 9.626 1.00 0.00 C ATOM 704 NZ LYS A 48 17.050 -7.644 9.095 1.00 0.00 N ATOM 0 H LYS A 48 17.166 -13.351 6.929 1.00 0.00 H new ATOM 0 HA LYS A 48 18.884 -12.226 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.532 -11.457 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.913 -12.810 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.779 -11.120 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.349 -11.794 11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.940 -9.571 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.198 -10.012 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.757 -9.306 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.772 -8.619 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.316 -6.963 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.649 -7.221 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.635 -7.886 8.270 1.00 0.00 H new ATOM 718 N MET A 49 17.407 -15.138 9.416 1.00 0.00 N ATOM 719 CA MET A 49 17.417 -16.340 10.242 1.00 0.00 C ATOM 720 C MET A 49 18.399 -17.369 9.692 1.00 0.00 C ATOM 721 O MET A 49 18.716 -17.367 8.502 1.00 0.00 O ATOM 722 CB MET A 49 16.014 -16.945 10.316 1.00 0.00 C ATOM 723 CG MET A 49 14.947 -15.954 10.752 1.00 0.00 C ATOM 724 SD MET A 49 14.739 -15.900 12.543 1.00 0.00 S ATOM 725 CE MET A 49 13.901 -14.330 12.739 1.00 0.00 C ATOM 0 H MET A 49 16.805 -15.196 8.594 1.00 0.00 H new ATOM 0 HA MET A 49 17.737 -16.059 11.245 1.00 0.00 H new ATOM 0 HB2 MET A 49 15.748 -17.346 9.338 1.00 0.00 H new ATOM 0 HB3 MET A 49 16.025 -17.784 11.012 1.00 0.00 H new ATOM 0 HG2 MET A 49 15.210 -14.960 10.391 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.998 -16.221 10.288 1.00 0.00 H new ATOM 0 HE1 MET A 49 13.703 -14.153 13.796 1.00 0.00 H new ATOM 0 HE2 MET A 49 14.531 -13.530 12.349 1.00 0.00 H new ATOM 0 HE3 MET A 49 12.959 -14.350 12.191 1.00 0.00 H new ATOM 735 N LYS A 50 18.878 -18.249 10.565 1.00 0.00 N ATOM 736 CA LYS A 50 19.823 -19.285 10.168 1.00 0.00 C ATOM 737 C LYS A 50 19.146 -20.332 9.289 1.00 0.00 C ATOM 738 O LYS A 50 19.703 -20.764 8.279 1.00 0.00 O ATOM 739 CB LYS A 50 20.426 -19.956 11.404 1.00 0.00 C ATOM 740 CG LYS A 50 19.387 -20.479 12.380 1.00 0.00 C ATOM 741 CD LYS A 50 19.065 -21.941 12.121 1.00 0.00 C ATOM 742 CE LYS A 50 18.760 -22.683 13.413 1.00 0.00 C ATOM 743 NZ LYS A 50 18.317 -24.081 13.159 1.00 0.00 N ATOM 0 H LYS A 50 18.626 -18.265 11.553 1.00 0.00 H new ATOM 0 HA LYS A 50 20.620 -18.813 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.061 -20.782 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.068 -19.241 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.753 -20.361 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.477 -19.885 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.210 -22.013 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.907 -22.416 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.648 -22.693 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.984 -22.151 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.119 -24.552 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.455 -24.072 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.067 -24.597 12.657 1.00 0.00 H new ATOM 757 N HIS A 51 17.940 -20.735 9.678 1.00 0.00 N ATOM 758 CA HIS A 51 17.186 -21.729 8.924 1.00 0.00 C ATOM 759 C HIS A 51 16.625 -21.126 7.640 1.00 0.00 C ATOM 760 O HIS A 51 16.069 -21.835 6.800 1.00 0.00 O ATOM 761 CB HIS A 51 16.049 -22.292 9.776 1.00 0.00 C ATOM 762 CG HIS A 51 15.530 -21.326 10.796 1.00 0.00 C ATOM 763 ND1 HIS A 51 14.903 -20.144 10.462 1.00 0.00 N ATOM 764 CD2 HIS A 51 15.546 -21.372 12.149 1.00 0.00 C ATOM 765 CE1 HIS A 51 14.557 -19.505 11.566 1.00 0.00 C ATOM 766 NE2 HIS A 51 14.936 -20.229 12.603 1.00 0.00 N ATOM 0 H HIS A 51 17.465 -20.388 10.511 1.00 0.00 H new ATOM 0 HA HIS A 51 17.865 -22.539 8.658 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.230 -22.592 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 51 16.397 -23.191 10.284 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.961 -22.161 12.758 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.050 -18.552 11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.798 -19.980 13.582 1.00 0.00 H new ATOM 774 N HIS A 52 16.773 -19.813 7.494 1.00 0.00 N ATOM 775 CA HIS A 52 16.280 -19.115 6.312 1.00 0.00 C ATOM 776 C HIS A 52 17.312 -19.153 5.189 1.00 0.00 C ATOM 777 O HIS A 52 16.978 -18.966 4.018 1.00 0.00 O ATOM 778 CB HIS A 52 15.937 -17.665 6.656 1.00 0.00 C ATOM 779 CG HIS A 52 14.520 -17.474 7.101 1.00 0.00 C ATOM 780 ND1 HIS A 52 14.119 -16.433 7.911 1.00 0.00 N ATOM 781 CD2 HIS A 52 13.406 -18.199 6.843 1.00 0.00 C ATOM 782 CE1 HIS A 52 12.820 -16.526 8.133 1.00 0.00 C ATOM 783 NE2 HIS A 52 12.363 -17.588 7.496 1.00 0.00 N ATOM 0 H HIS A 52 17.230 -19.211 8.179 1.00 0.00 H new ATOM 0 HA HIS A 52 15.378 -19.623 5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 52 16.606 -17.319 7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 52 16.122 -17.039 5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 52 13.348 -19.091 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.232 -15.848 8.734 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.393 -17.904 7.490 1.00 0.00 H new ATOM 791 N LEU A 53 18.567 -19.395 5.553 1.00 0.00 N ATOM 792 CA LEU A 53 19.648 -19.456 4.576 1.00 0.00 C ATOM 793 C LEU A 53 19.832 -20.878 4.056 1.00 0.00 C ATOM 794 O LEU A 53 20.119 -21.087 2.877 1.00 0.00 O ATOM 795 CB LEU A 53 20.953 -18.957 5.199 1.00 0.00 C ATOM 796 CG LEU A 53 22.230 -19.259 4.414 1.00 0.00 C ATOM 797 CD1 LEU A 53 22.281 -18.433 3.138 1.00 0.00 C ATOM 798 CD2 LEU A 53 23.459 -18.995 5.272 1.00 0.00 C ATOM 0 H LEU A 53 18.861 -19.552 6.517 1.00 0.00 H new ATOM 0 HA LEU A 53 19.383 -18.813 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 53 20.879 -17.878 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 53 21.049 -19.395 6.192 1.00 0.00 H new ATOM 0 HG LEU A 53 22.223 -20.314 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 53 23.197 -18.662 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 21.419 -18.672 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 53 22.264 -17.373 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 53 24.358 -19.215 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 53 23.471 -17.949 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 53 23.429 -19.631 6.156 1.00 0.00 H new ATOM 810 N VAL A 54 19.661 -21.854 4.942 1.00 0.00 N ATOM 811 CA VAL A 54 19.805 -23.257 4.572 1.00 0.00 C ATOM 812 C VAL A 54 18.924 -23.603 3.376 1.00 0.00 C ATOM 813 O VAL A 54 19.417 -24.011 2.326 1.00 0.00 O ATOM 814 CB VAL A 54 19.445 -24.187 5.746 1.00 0.00 C ATOM 815 CG1 VAL A 54 19.037 -25.560 5.235 1.00 0.00 C ATOM 816 CG2 VAL A 54 20.612 -24.295 6.716 1.00 0.00 C ATOM 0 H VAL A 54 19.422 -21.699 5.921 1.00 0.00 H new ATOM 0 HA VAL A 54 20.851 -23.408 4.306 1.00 0.00 H new ATOM 0 HB VAL A 54 18.597 -23.758 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.786 -26.203 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.169 -25.462 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.863 -26.000 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 20.341 -24.956 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 54 21.480 -24.700 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 54 20.852 -23.307 7.108 1.00 0.00 H new ATOM 826 N GLY A 55 17.616 -23.435 3.544 1.00 0.00 N ATOM 827 CA GLY A 55 16.686 -23.733 2.470 1.00 0.00 C ATOM 828 C GLY A 55 17.173 -23.231 1.125 1.00 0.00 C ATOM 829 O GLY A 55 16.785 -23.755 0.081 1.00 0.00 O ATOM 0 H GLY A 55 17.184 -23.098 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.530 -24.810 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.720 -23.282 2.695 1.00 0.00 H new ATOM 833 N HIS A 56 18.025 -22.211 1.149 1.00 0.00 N ATOM 834 CA HIS A 56 18.566 -21.637 -0.078 1.00 0.00 C ATOM 835 C HIS A 56 19.899 -22.283 -0.439 1.00 0.00 C ATOM 836 O HIS A 56 20.146 -22.614 -1.598 1.00 0.00 O ATOM 837 CB HIS A 56 18.743 -20.126 0.076 1.00 0.00 C ATOM 838 CG HIS A 56 19.804 -19.554 -0.813 1.00 0.00 C ATOM 839 ND1 HIS A 56 19.595 -19.267 -2.145 1.00 0.00 N ATOM 840 CD2 HIS A 56 21.088 -19.214 -0.553 1.00 0.00 C ATOM 841 CE1 HIS A 56 20.706 -18.776 -2.667 1.00 0.00 C ATOM 842 NE2 HIS A 56 21.627 -18.733 -1.721 1.00 0.00 N ATOM 0 H HIS A 56 18.356 -21.765 2.005 1.00 0.00 H new ATOM 0 HA HIS A 56 17.858 -21.832 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 56 17.795 -19.633 -0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 56 18.990 -19.901 1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 56 21.595 -19.304 0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 56 20.838 -18.463 -3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 56 22.583 -18.397 -1.839 1.00 0.00 H new ATOM 850 N MET A 57 20.756 -22.460 0.562 1.00 0.00 N ATOM 851 CA MET A 57 22.065 -23.067 0.349 1.00 0.00 C ATOM 852 C MET A 57 21.935 -24.390 -0.400 1.00 0.00 C ATOM 853 O MET A 57 22.853 -24.810 -1.104 1.00 0.00 O ATOM 854 CB MET A 57 22.770 -23.292 1.687 1.00 0.00 C ATOM 855 CG MET A 57 23.071 -22.006 2.440 1.00 0.00 C ATOM 856 SD MET A 57 24.726 -21.376 2.104 1.00 0.00 S ATOM 857 CE MET A 57 24.697 -21.284 0.315 1.00 0.00 C ATOM 0 H MET A 57 20.567 -22.192 1.528 1.00 0.00 H new ATOM 0 HA MET A 57 22.661 -22.384 -0.257 1.00 0.00 H new ATOM 0 HB2 MET A 57 22.148 -23.932 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 57 23.703 -23.827 1.511 1.00 0.00 H new ATOM 0 HG2 MET A 57 22.336 -21.249 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 57 22.964 -22.183 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 57 25.620 -20.827 -0.041 1.00 0.00 H new ATOM 0 HE2 MET A 57 24.606 -22.288 -0.100 1.00 0.00 H new ATOM 0 HE3 MET A 57 23.847 -20.681 -0.005 1.00 0.00 H new ATOM 867 N LYS A 58 20.789 -25.044 -0.242 1.00 0.00 N ATOM 868 CA LYS A 58 20.537 -26.319 -0.903 1.00 0.00 C ATOM 869 C LYS A 58 20.649 -26.178 -2.418 1.00 0.00 C ATOM 870 O LYS A 58 20.670 -27.173 -3.143 1.00 0.00 O ATOM 871 CB LYS A 58 19.149 -26.845 -0.530 1.00 0.00 C ATOM 872 CG LYS A 58 18.992 -27.152 0.949 1.00 0.00 C ATOM 873 CD LYS A 58 17.537 -27.082 1.382 1.00 0.00 C ATOM 874 CE LYS A 58 16.788 -28.357 1.026 1.00 0.00 C ATOM 875 NZ LYS A 58 16.662 -28.534 -0.447 1.00 0.00 N ATOM 0 H LYS A 58 20.019 -24.711 0.339 1.00 0.00 H new ATOM 0 HA LYS A 58 21.291 -27.030 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.400 -26.108 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.946 -27.749 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.388 -28.146 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.581 -26.444 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.484 -26.916 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.054 -26.230 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.309 -29.215 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.795 -28.332 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.748 -28.979 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.716 -27.606 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.434 -29.140 -0.791 1.00 0.00 H new ATOM 889 N ILE A 59 20.722 -24.937 -2.888 1.00 0.00 N ATOM 890 CA ILE A 59 20.834 -24.668 -4.316 1.00 0.00 C ATOM 891 C ILE A 59 22.288 -24.721 -4.772 1.00 0.00 C ATOM 892 O ILE A 59 22.572 -24.846 -5.964 1.00 0.00 O ATOM 893 CB ILE A 59 20.244 -23.292 -4.677 1.00 0.00 C ATOM 894 CG1 ILE A 59 21.251 -22.183 -4.364 1.00 0.00 C ATOM 895 CG2 ILE A 59 18.942 -23.060 -3.926 1.00 0.00 C ATOM 896 CD1 ILE A 59 20.778 -20.805 -4.771 1.00 0.00 C ATOM 0 H ILE A 59 20.706 -24.103 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 59 20.266 -25.444 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 59 20.032 -23.273 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.461 -22.185 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 59 22.190 -22.401 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.538 -22.083 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.224 -23.835 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 59 19.130 -23.095 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 59 21.542 -20.069 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.596 -20.786 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 59 19.855 -20.566 -4.242 1.00 0.00 H new ATOM 908 N HIS A 60 23.207 -24.627 -3.816 1.00 0.00 N ATOM 909 CA HIS A 60 24.633 -24.666 -4.120 1.00 0.00 C ATOM 910 C HIS A 60 25.259 -25.964 -3.619 1.00 0.00 C ATOM 911 O HIS A 60 26.061 -26.589 -4.314 1.00 0.00 O ATOM 912 CB HIS A 60 25.344 -23.468 -3.490 1.00 0.00 C ATOM 913 CG HIS A 60 24.769 -22.147 -3.902 1.00 0.00 C ATOM 914 ND1 HIS A 60 24.674 -21.744 -5.217 1.00 0.00 N ATOM 915 CD2 HIS A 60 24.255 -21.136 -3.162 1.00 0.00 C ATOM 916 CE1 HIS A 60 24.129 -20.542 -5.269 1.00 0.00 C ATOM 917 NE2 HIS A 60 23.865 -20.151 -4.035 1.00 0.00 N ATOM 0 H HIS A 60 22.990 -24.523 -2.825 1.00 0.00 H new ATOM 0 HA HIS A 60 24.750 -24.620 -5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 60 25.293 -23.555 -2.405 1.00 0.00 H new ATOM 0 HB3 HIS A 60 26.399 -23.497 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 60 24.168 -21.110 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.933 -19.975 -6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.440 -19.261 -3.773 1.00 0.00 H new ATOM 1001 N TYR A 66 20.224 -34.291 -12.278 1.00 0.00 N ATOM 1002 CA TYR A 66 18.905 -34.514 -12.859 1.00 0.00 C ATOM 1003 C TYR A 66 17.812 -34.339 -11.809 1.00 0.00 C ATOM 1004 O TYR A 66 18.043 -34.536 -10.617 1.00 0.00 O ATOM 1005 CB TYR A 66 18.823 -35.915 -13.468 1.00 0.00 C ATOM 1006 CG TYR A 66 20.003 -36.263 -14.347 1.00 0.00 C ATOM 1007 CD1 TYR A 66 20.114 -35.746 -15.632 1.00 0.00 C ATOM 1008 CD2 TYR A 66 21.008 -37.108 -13.892 1.00 0.00 C ATOM 1009 CE1 TYR A 66 21.190 -36.063 -16.438 1.00 0.00 C ATOM 1010 CE2 TYR A 66 22.088 -37.429 -14.691 1.00 0.00 C ATOM 1011 CZ TYR A 66 22.174 -36.904 -15.963 1.00 0.00 C ATOM 1012 OH TYR A 66 23.249 -37.220 -16.763 1.00 0.00 O ATOM 0 HA TYR A 66 18.752 -33.774 -13.645 1.00 0.00 H new ATOM 0 HB2 TYR A 66 18.751 -36.648 -12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.908 -35.994 -14.055 1.00 0.00 H new ATOM 0 HD1 TYR A 66 19.346 -35.085 -16.007 1.00 0.00 H new ATOM 0 HD2 TYR A 66 20.943 -37.521 -12.896 1.00 0.00 H new ATOM 0 HE1 TYR A 66 21.260 -35.654 -17.435 1.00 0.00 H new ATOM 0 HE2 TYR A 66 22.860 -38.087 -14.322 1.00 0.00 H new ATOM 0 HH TYR A 66 23.852 -37.822 -16.278 1.00 0.00 H new ATOM 1022 N GLU A 67 16.619 -33.967 -12.264 1.00 0.00 N ATOM 1023 CA GLU A 67 15.489 -33.765 -11.365 1.00 0.00 C ATOM 1024 C GLU A 67 14.167 -33.993 -12.093 1.00 0.00 C ATOM 1025 O GLU A 67 13.973 -33.522 -13.214 1.00 0.00 O ATOM 1026 CB GLU A 67 15.523 -32.353 -10.777 1.00 0.00 C ATOM 1027 CG GLU A 67 14.175 -31.875 -10.263 1.00 0.00 C ATOM 1028 CD GLU A 67 14.262 -30.536 -9.556 1.00 0.00 C ATOM 1029 OE1 GLU A 67 14.884 -30.475 -8.475 1.00 0.00 O ATOM 1030 OE2 GLU A 67 13.707 -29.550 -10.084 1.00 0.00 O ATOM 0 H GLU A 67 16.411 -33.800 -13.248 1.00 0.00 H new ATOM 0 HA GLU A 67 15.568 -34.490 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.244 -32.326 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.878 -31.660 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.479 -31.796 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.767 -32.618 -9.577 1.00 0.00 H new ATOM 1037 N CYS A 68 13.260 -34.719 -11.447 1.00 0.00 N ATOM 1038 CA CYS A 68 11.957 -35.011 -12.031 1.00 0.00 C ATOM 1039 C CYS A 68 11.209 -33.724 -12.365 1.00 0.00 C ATOM 1040 O CYS A 68 11.640 -32.631 -11.999 1.00 0.00 O ATOM 1041 CB CYS A 68 11.124 -35.864 -11.071 1.00 0.00 C ATOM 1042 SG CYS A 68 9.799 -36.815 -11.881 1.00 0.00 S ATOM 0 H CYS A 68 13.404 -35.116 -10.518 1.00 0.00 H new ATOM 0 HA CYS A 68 12.117 -35.567 -12.955 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.786 -36.555 -10.549 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.681 -35.215 -10.316 1.00 0.00 H new ATOM 0 HG CYS A 68 9.605 -37.926 -11.235 1.00 0.00 H new ATOM 1047 N ASN A 69 10.086 -33.862 -13.062 1.00 0.00 N ATOM 1048 CA ASN A 69 9.278 -32.710 -13.446 1.00 0.00 C ATOM 1049 C ASN A 69 7.968 -32.681 -12.665 1.00 0.00 C ATOM 1050 O ASN A 69 7.432 -31.611 -12.372 1.00 0.00 O ATOM 1051 CB ASN A 69 8.989 -32.741 -14.948 1.00 0.00 C ATOM 1052 CG ASN A 69 10.140 -33.322 -15.746 1.00 0.00 C ATOM 1053 OD1 ASN A 69 11.292 -33.280 -15.315 1.00 0.00 O ATOM 1054 ND2 ASN A 69 9.832 -33.868 -16.917 1.00 0.00 N ATOM 0 H ASN A 69 9.715 -34.760 -13.372 1.00 0.00 H new ATOM 0 HA ASN A 69 9.841 -31.807 -13.210 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.090 -33.330 -15.130 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.783 -31.729 -15.297 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.565 -34.275 -17.499 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.863 -33.881 -17.235 1.00 0.00 H new ATOM 1061 N ILE A 70 7.458 -33.861 -12.331 1.00 0.00 N ATOM 1062 CA ILE A 70 6.211 -33.971 -11.583 1.00 0.00 C ATOM 1063 C ILE A 70 6.442 -33.736 -10.094 1.00 0.00 C ATOM 1064 O ILE A 70 5.986 -32.739 -9.534 1.00 0.00 O ATOM 1065 CB ILE A 70 5.557 -35.351 -11.778 1.00 0.00 C ATOM 1066 CG1 ILE A 70 5.150 -35.544 -13.241 1.00 0.00 C ATOM 1067 CG2 ILE A 70 4.350 -35.499 -10.863 1.00 0.00 C ATOM 1068 CD1 ILE A 70 6.238 -36.156 -14.095 1.00 0.00 C ATOM 0 H ILE A 70 7.889 -34.755 -12.566 1.00 0.00 H new ATOM 0 HA ILE A 70 5.541 -33.203 -11.971 1.00 0.00 H new ATOM 0 HB ILE A 70 6.283 -36.121 -11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.266 -36.180 -13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.869 -34.579 -13.662 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.898 -36.480 -11.012 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.666 -35.399 -9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.620 -34.724 -11.096 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.880 -36.263 -15.119 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.116 -35.510 -14.084 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.503 -37.136 -13.699 1.00 0.00 H new ATOM 1080 N CYS A 71 7.154 -34.660 -9.458 1.00 0.00 N ATOM 1081 CA CYS A 71 7.447 -34.554 -8.034 1.00 0.00 C ATOM 1082 C CYS A 71 8.674 -33.679 -7.795 1.00 0.00 C ATOM 1083 O CYS A 71 8.968 -33.301 -6.661 1.00 0.00 O ATOM 1084 CB CYS A 71 7.673 -35.944 -7.434 1.00 0.00 C ATOM 1085 SG CYS A 71 8.866 -36.966 -8.356 1.00 0.00 S ATOM 0 H CYS A 71 7.539 -35.491 -9.907 1.00 0.00 H new ATOM 0 HA CYS A 71 6.591 -34.089 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.023 -35.833 -6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.719 -36.469 -7.390 1.00 0.00 H new ATOM 0 HG CYS A 71 9.040 -36.466 -9.543 1.00 0.00 H new ATOM 1090 N ALA A 72 9.386 -33.361 -8.871 1.00 0.00 N ATOM 1091 CA ALA A 72 10.579 -32.529 -8.779 1.00 0.00 C ATOM 1092 C ALA A 72 11.659 -33.208 -7.944 1.00 0.00 C ATOM 1093 O ALA A 72 12.496 -32.543 -7.332 1.00 0.00 O ATOM 1094 CB ALA A 72 10.231 -31.169 -8.191 1.00 0.00 C ATOM 0 H ALA A 72 9.157 -33.667 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 72 10.971 -32.387 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.132 -30.558 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.500 -30.673 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.812 -31.300 -7.194 1.00 0.00 H new ATOM 1100 N LYS A 73 11.635 -34.536 -7.921 1.00 0.00 N ATOM 1101 CA LYS A 73 12.612 -35.307 -7.161 1.00 0.00 C ATOM 1102 C LYS A 73 14.011 -35.140 -7.747 1.00 0.00 C ATOM 1103 O LYS A 73 14.171 -34.662 -8.870 1.00 0.00 O ATOM 1104 CB LYS A 73 12.226 -36.787 -7.149 1.00 0.00 C ATOM 1105 CG LYS A 73 11.496 -37.215 -5.888 1.00 0.00 C ATOM 1106 CD LYS A 73 11.581 -38.717 -5.676 1.00 0.00 C ATOM 1107 CE LYS A 73 11.625 -39.071 -4.197 1.00 0.00 C ATOM 1108 NZ LYS A 73 13.017 -39.073 -3.669 1.00 0.00 N ATOM 0 H LYS A 73 10.949 -35.102 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 73 12.618 -34.931 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.595 -36.996 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.127 -37.390 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.923 -36.701 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.450 -36.915 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.722 -39.200 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.471 -39.105 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.024 -38.356 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.177 -40.053 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.005 -39.319 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.584 -39.773 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.436 -38.129 -3.791 1.00 0.00 H new ATOM 1122 N ARG A 74 15.020 -35.538 -6.979 1.00 0.00 N ATOM 1123 CA ARG A 74 16.405 -35.432 -7.422 1.00 0.00 C ATOM 1124 C ARG A 74 17.039 -36.814 -7.559 1.00 0.00 C ATOM 1125 O ARG A 74 16.801 -37.701 -6.739 1.00 0.00 O ATOM 1126 CB ARG A 74 17.214 -34.583 -6.440 1.00 0.00 C ATOM 1127 CG ARG A 74 16.665 -33.178 -6.254 1.00 0.00 C ATOM 1128 CD ARG A 74 17.370 -32.450 -5.120 1.00 0.00 C ATOM 1129 NE ARG A 74 18.819 -32.619 -5.178 1.00 0.00 N ATOM 1130 CZ ARG A 74 19.468 -33.611 -4.578 1.00 0.00 C ATOM 1131 NH1 ARG A 74 18.800 -34.518 -3.879 1.00 0.00 N ATOM 1132 NH2 ARG A 74 20.788 -33.697 -4.678 1.00 0.00 N ATOM 0 H ARG A 74 14.904 -35.937 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 74 16.412 -34.949 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.238 -35.085 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 74 18.244 -34.518 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 74 16.784 -32.614 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 74 15.596 -33.228 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 74 17.127 -31.388 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 74 17.000 -32.822 -4.165 1.00 0.00 H new ATOM 0 HE ARG A 74 19.363 -31.938 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 74 17.785 -34.455 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.301 -35.278 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.305 -33.001 -5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.286 -34.459 -4.217 1.00 0.00 H new ATOM 1146 N PHE A 75 17.846 -36.988 -8.600 1.00 0.00 N ATOM 1147 CA PHE A 75 18.513 -38.262 -8.845 1.00 0.00 C ATOM 1148 C PHE A 75 19.981 -38.047 -9.200 1.00 0.00 C ATOM 1149 O PHE A 75 20.302 -37.382 -10.184 1.00 0.00 O ATOM 1150 CB PHE A 75 17.810 -39.021 -9.972 1.00 0.00 C ATOM 1151 CG PHE A 75 16.389 -39.388 -9.652 1.00 0.00 C ATOM 1152 CD1 PHE A 75 15.358 -38.494 -9.891 1.00 0.00 C ATOM 1153 CD2 PHE A 75 16.084 -40.627 -9.112 1.00 0.00 C ATOM 1154 CE1 PHE A 75 14.049 -38.829 -9.599 1.00 0.00 C ATOM 1155 CE2 PHE A 75 14.778 -40.968 -8.818 1.00 0.00 C ATOM 1156 CZ PHE A 75 13.759 -40.067 -9.060 1.00 0.00 C ATOM 0 H PHE A 75 18.054 -36.264 -9.287 1.00 0.00 H new ATOM 0 HA PHE A 75 18.461 -38.853 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 75 17.825 -38.410 -10.875 1.00 0.00 H new ATOM 0 HB3 PHE A 75 18.371 -39.929 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 75 15.580 -37.524 -10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 75 16.877 -41.335 -8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 75 13.254 -38.124 -9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 75 14.554 -41.938 -8.399 1.00 0.00 H new ATOM 0 HZ PHE A 75 12.738 -40.330 -8.828 1.00 0.00 H new ATOM 1166 N MET A 76 20.869 -38.615 -8.389 1.00 0.00 N ATOM 1167 CA MET A 76 22.303 -38.486 -8.618 1.00 0.00 C ATOM 1168 C MET A 76 22.707 -39.156 -9.927 1.00 0.00 C ATOM 1169 O MET A 76 23.532 -38.630 -10.675 1.00 0.00 O ATOM 1170 CB MET A 76 23.083 -39.102 -7.455 1.00 0.00 C ATOM 1171 CG MET A 76 24.580 -38.846 -7.524 1.00 0.00 C ATOM 1172 SD MET A 76 25.382 -39.767 -8.849 1.00 0.00 S ATOM 1173 CE MET A 76 26.695 -40.586 -7.947 1.00 0.00 C ATOM 0 H MET A 76 20.620 -39.168 -7.569 1.00 0.00 H new ATOM 0 HA MET A 76 22.541 -37.424 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.697 -38.702 -6.517 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.907 -40.178 -7.439 1.00 0.00 H new ATOM 0 HG2 MET A 76 24.756 -37.780 -7.670 1.00 0.00 H new ATOM 0 HG3 MET A 76 25.035 -39.117 -6.571 1.00 0.00 H new ATOM 0 HE1 MET A 76 27.282 -41.196 -8.633 1.00 0.00 H new ATOM 0 HE2 MET A 76 27.339 -39.839 -7.484 1.00 0.00 H new ATOM 0 HE3 MET A 76 26.264 -41.222 -7.174 1.00 0.00 H new ATOM 1183 N TRP A 77 22.123 -40.317 -10.198 1.00 0.00 N ATOM 1184 CA TRP A 77 22.423 -41.058 -11.418 1.00 0.00 C ATOM 1185 C TRP A 77 21.383 -40.776 -12.496 1.00 0.00 C ATOM 1186 O TRP A 77 20.266 -40.351 -12.198 1.00 0.00 O ATOM 1187 CB TRP A 77 22.479 -42.559 -11.126 1.00 0.00 C ATOM 1188 CG TRP A 77 23.276 -42.897 -9.903 1.00 0.00 C ATOM 1189 CD1 TRP A 77 22.868 -42.793 -8.604 1.00 0.00 C ATOM 1190 CD2 TRP A 77 24.619 -43.392 -9.865 1.00 0.00 C ATOM 1191 NE1 TRP A 77 23.876 -43.193 -7.760 1.00 0.00 N ATOM 1192 CE2 TRP A 77 24.961 -43.566 -8.509 1.00 0.00 C ATOM 1193 CE3 TRP A 77 25.566 -43.707 -10.843 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 26.208 -44.040 -8.111 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 26.803 -44.176 -10.446 1.00 0.00 C ATOM 1196 CH2 TRP A 77 27.115 -44.340 -9.090 1.00 0.00 C ATOM 0 H TRP A 77 21.439 -40.766 -9.589 1.00 0.00 H new ATOM 0 HA TRP A 77 23.396 -40.729 -11.784 1.00 0.00 H new ATOM 0 HB2 TRP A 77 21.464 -42.936 -11.005 1.00 0.00 H new ATOM 0 HB3 TRP A 77 22.910 -43.073 -11.985 1.00 0.00 H new ATOM 0 HD1 TRP A 77 21.895 -42.447 -8.286 1.00 0.00 H new ATOM 0 HE1 TRP A 77 23.825 -43.210 -6.741 1.00 0.00 H new ATOM 0 HE3 TRP A 77 25.335 -43.586 -11.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 26.451 -44.166 -7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 27.543 -44.421 -11.194 1.00 0.00 H new ATOM 0 HH2 TRP A 77 28.091 -44.711 -8.812 1.00 0.00 H new ATOM 1207 N ARG A 78 21.756 -41.015 -13.749 1.00 0.00 N ATOM 1208 CA ARG A 78 20.854 -40.785 -14.871 1.00 0.00 C ATOM 1209 C ARG A 78 19.949 -41.992 -15.098 1.00 0.00 C ATOM 1210 O ARG A 78 18.726 -41.860 -15.158 1.00 0.00 O ATOM 1211 CB ARG A 78 21.653 -40.488 -16.142 1.00 0.00 C ATOM 1212 CG ARG A 78 20.814 -40.513 -17.409 1.00 0.00 C ATOM 1213 CD ARG A 78 21.682 -40.655 -18.649 1.00 0.00 C ATOM 1214 NE ARG A 78 22.499 -41.865 -18.610 1.00 0.00 N ATOM 1215 CZ ARG A 78 22.002 -43.091 -18.724 1.00 0.00 C ATOM 1216 NH1 ARG A 78 20.698 -43.270 -18.884 1.00 0.00 N ATOM 1217 NH2 ARG A 78 22.810 -44.143 -18.679 1.00 0.00 N ATOM 0 H ARG A 78 22.676 -41.368 -14.013 1.00 0.00 H new ATOM 0 HA ARG A 78 20.230 -39.924 -14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.121 -39.508 -16.046 1.00 0.00 H new ATOM 0 HB3 ARG A 78 22.457 -41.218 -16.234 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.107 -41.341 -17.362 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.228 -39.596 -17.477 1.00 0.00 H new ATOM 0 HD2 ARG A 78 21.048 -40.674 -19.535 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.330 -39.783 -18.740 1.00 0.00 H new ATOM 0 HE ARG A 78 23.507 -41.763 -18.489 1.00 0.00 H new ATOM 0 HH11 ARG A 78 20.073 -42.465 -18.920 1.00 0.00 H new ATOM 0 HH12 ARG A 78 20.320 -44.213 -18.971 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.814 -44.010 -18.557 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.427 -45.084 -18.767 1.00 0.00 H new ATOM 1231 N ASP A 79 20.557 -43.166 -15.222 1.00 0.00 N ATOM 1232 CA ASP A 79 19.806 -44.397 -15.441 1.00 0.00 C ATOM 1233 C ASP A 79 18.600 -44.471 -14.509 1.00 0.00 C ATOM 1234 O ASP A 79 17.531 -44.942 -14.897 1.00 0.00 O ATOM 1235 CB ASP A 79 20.707 -45.614 -15.228 1.00 0.00 C ATOM 1236 CG ASP A 79 21.433 -45.570 -13.898 1.00 0.00 C ATOM 1237 OD1 ASP A 79 22.376 -44.763 -13.763 1.00 0.00 O ATOM 1238 OD2 ASP A 79 21.060 -46.345 -12.991 1.00 0.00 O ATOM 0 H ASP A 79 21.568 -43.292 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 79 19.447 -44.397 -16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 79 20.106 -46.522 -15.281 1.00 0.00 H new ATOM 0 HB3 ASP A 79 21.437 -45.668 -16.036 1.00 0.00 H new ATOM 1243 N SER A 80 18.781 -44.004 -13.278 1.00 0.00 N ATOM 1244 CA SER A 80 17.710 -44.021 -12.289 1.00 0.00 C ATOM 1245 C SER A 80 16.722 -42.885 -12.538 1.00 0.00 C ATOM 1246 O SER A 80 15.525 -43.022 -12.285 1.00 0.00 O ATOM 1247 CB SER A 80 18.289 -43.909 -10.877 1.00 0.00 C ATOM 1248 OG SER A 80 18.783 -45.159 -10.428 1.00 0.00 O ATOM 0 H SER A 80 19.659 -43.609 -12.942 1.00 0.00 H new ATOM 0 HA SER A 80 17.178 -44.968 -12.382 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.092 -43.172 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.520 -43.551 -10.192 1.00 0.00 H new ATOM 0 HG SER A 80 19.149 -45.061 -9.524 1.00 0.00 H new ATOM 1254 N PHE A 81 17.233 -41.764 -13.035 1.00 0.00 N ATOM 1255 CA PHE A 81 16.397 -40.603 -13.317 1.00 0.00 C ATOM 1256 C PHE A 81 15.302 -40.952 -14.321 1.00 0.00 C ATOM 1257 O PHE A 81 14.113 -40.888 -14.007 1.00 0.00 O ATOM 1258 CB PHE A 81 17.250 -39.452 -13.856 1.00 0.00 C ATOM 1259 CG PHE A 81 16.444 -38.345 -14.471 1.00 0.00 C ATOM 1260 CD1 PHE A 81 15.566 -37.599 -13.701 1.00 0.00 C ATOM 1261 CD2 PHE A 81 16.563 -38.050 -15.820 1.00 0.00 C ATOM 1262 CE1 PHE A 81 14.822 -36.579 -14.264 1.00 0.00 C ATOM 1263 CE2 PHE A 81 15.823 -37.031 -16.388 1.00 0.00 C ATOM 1264 CZ PHE A 81 14.950 -36.295 -15.610 1.00 0.00 C ATOM 0 H PHE A 81 18.221 -41.635 -13.251 1.00 0.00 H new ATOM 0 HA PHE A 81 15.926 -40.291 -12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.851 -39.044 -13.043 1.00 0.00 H new ATOM 0 HB3 PHE A 81 17.944 -39.842 -14.601 1.00 0.00 H new ATOM 0 HD1 PHE A 81 15.462 -37.817 -12.648 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.242 -38.623 -16.434 1.00 0.00 H new ATOM 0 HE1 PHE A 81 14.142 -36.005 -13.653 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.927 -36.810 -17.440 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.369 -35.500 -16.053 1.00 0.00 H new ATOM 1274 N HIS A 82 15.712 -41.321 -15.531 1.00 0.00 N ATOM 1275 CA HIS A 82 14.767 -41.680 -16.582 1.00 0.00 C ATOM 1276 C HIS A 82 13.905 -42.865 -16.156 1.00 0.00 C ATOM 1277 O HIS A 82 12.703 -42.895 -16.416 1.00 0.00 O ATOM 1278 CB HIS A 82 15.513 -42.016 -17.874 1.00 0.00 C ATOM 1279 CG HIS A 82 15.934 -40.808 -18.653 1.00 0.00 C ATOM 1280 ND1 HIS A 82 16.994 -40.813 -19.534 1.00 0.00 N ATOM 1281 CD2 HIS A 82 15.429 -39.552 -18.681 1.00 0.00 C ATOM 1282 CE1 HIS A 82 17.125 -39.612 -20.069 1.00 0.00 C ATOM 1283 NE2 HIS A 82 16.187 -38.829 -19.569 1.00 0.00 N ATOM 0 H HIS A 82 16.692 -41.379 -15.807 1.00 0.00 H new ATOM 0 HA HIS A 82 14.116 -40.824 -16.759 1.00 0.00 H new ATOM 0 HB2 HIS A 82 16.396 -42.607 -17.631 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.875 -42.639 -18.501 1.00 0.00 H new ATOM 0 HD2 HIS A 82 14.587 -39.187 -18.111 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.872 -39.320 -20.792 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.048 -37.846 -19.804 1.00 0.00 H new ATOM 1291 N ARG A 83 14.529 -43.839 -15.500 1.00 0.00 N ATOM 1292 CA ARG A 83 13.819 -45.026 -15.040 1.00 0.00 C ATOM 1293 C ARG A 83 12.597 -44.642 -14.211 1.00 0.00 C ATOM 1294 O ARG A 83 11.545 -45.275 -14.307 1.00 0.00 O ATOM 1295 CB ARG A 83 14.751 -45.915 -14.213 1.00 0.00 C ATOM 1296 CG ARG A 83 14.045 -47.087 -13.551 1.00 0.00 C ATOM 1297 CD ARG A 83 14.999 -47.894 -12.685 1.00 0.00 C ATOM 1298 NE ARG A 83 14.626 -49.305 -12.627 1.00 0.00 N ATOM 1299 CZ ARG A 83 14.833 -50.161 -13.621 1.00 0.00 C ATOM 1300 NH1 ARG A 83 15.409 -49.752 -14.743 1.00 0.00 N ATOM 1301 NH2 ARG A 83 14.466 -51.430 -13.493 1.00 0.00 N ATOM 0 H ARG A 83 15.524 -43.829 -15.276 1.00 0.00 H new ATOM 0 HA ARG A 83 13.482 -45.580 -15.916 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.543 -46.296 -14.858 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.230 -45.309 -13.444 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.220 -46.719 -12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.612 -47.732 -14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.011 -47.803 -13.079 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.011 -47.481 -11.677 1.00 0.00 H new ATOM 0 HE ARG A 83 14.182 -49.652 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.694 -48.778 -14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.567 -50.411 -15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.024 -51.749 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.625 -52.087 -14.257 1.00 0.00 H new ATOM 1315 N HIS A 84 12.744 -43.601 -13.397 1.00 0.00 N ATOM 1316 CA HIS A 84 11.652 -43.132 -12.551 1.00 0.00 C ATOM 1317 C HIS A 84 10.742 -42.177 -13.318 1.00 0.00 C ATOM 1318 O HIS A 84 9.581 -42.488 -13.584 1.00 0.00 O ATOM 1319 CB HIS A 84 12.205 -42.439 -11.306 1.00 0.00 C ATOM 1320 CG HIS A 84 11.232 -41.501 -10.661 1.00 0.00 C ATOM 1321 ND1 HIS A 84 10.490 -41.834 -9.547 1.00 0.00 N ATOM 1322 CD2 HIS A 84 10.883 -40.232 -10.978 1.00 0.00 C ATOM 1323 CE1 HIS A 84 9.725 -40.812 -9.209 1.00 0.00 C ATOM 1324 NE2 HIS A 84 9.945 -39.826 -10.061 1.00 0.00 N ATOM 0 H HIS A 84 13.608 -43.067 -13.305 1.00 0.00 H new ATOM 0 HA HIS A 84 11.065 -43.998 -12.245 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.502 -43.196 -10.581 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.105 -41.886 -11.577 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.526 -42.730 -9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.270 -39.648 -11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.036 -40.786 -8.377 1.00 0.00 H new ATOM 1332 N VAL A 85 11.278 -41.012 -13.670 1.00 0.00 N ATOM 1333 CA VAL A 85 10.515 -40.012 -14.407 1.00 0.00 C ATOM 1334 C VAL A 85 9.546 -40.668 -15.383 1.00 0.00 C ATOM 1335 O VAL A 85 8.364 -40.325 -15.428 1.00 0.00 O ATOM 1336 CB VAL A 85 11.442 -39.059 -15.184 1.00 0.00 C ATOM 1337 CG1 VAL A 85 10.646 -37.910 -15.785 1.00 0.00 C ATOM 1338 CG2 VAL A 85 12.547 -38.535 -14.278 1.00 0.00 C ATOM 0 H VAL A 85 12.237 -40.738 -13.457 1.00 0.00 H new ATOM 0 HA VAL A 85 9.951 -39.439 -13.671 1.00 0.00 H new ATOM 0 HB VAL A 85 11.904 -39.615 -16.000 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.318 -37.247 -16.330 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.894 -38.306 -16.468 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.154 -37.352 -14.988 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.193 -37.863 -14.843 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.105 -37.995 -13.441 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.135 -39.371 -13.900 1.00 0.00 H new ATOM 1348 N THR A 86 10.053 -41.616 -16.165 1.00 0.00 N ATOM 1349 CA THR A 86 9.233 -42.321 -17.142 1.00 0.00 C ATOM 1350 C THR A 86 7.923 -42.793 -16.522 1.00 0.00 C ATOM 1351 O THR A 86 6.852 -42.619 -17.104 1.00 0.00 O ATOM 1352 CB THR A 86 9.977 -43.537 -17.727 1.00 0.00 C ATOM 1353 OG1 THR A 86 11.156 -43.104 -18.416 1.00 0.00 O ATOM 1354 CG2 THR A 86 9.081 -44.311 -18.682 1.00 0.00 C ATOM 0 H THR A 86 11.028 -41.913 -16.140 1.00 0.00 H new ATOM 0 HA THR A 86 9.019 -41.614 -17.944 1.00 0.00 H new ATOM 0 HB THR A 86 10.258 -44.194 -16.904 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.771 -42.684 -17.779 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.628 -45.165 -19.082 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.198 -44.663 -18.148 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.774 -43.660 -19.501 1.00 0.00 H new ATOM 1362 N SER A 87 8.014 -43.389 -15.338 1.00 0.00 N ATOM 1363 CA SER A 87 6.835 -43.889 -14.640 1.00 0.00 C ATOM 1364 C SER A 87 6.089 -42.750 -13.951 1.00 0.00 C ATOM 1365 O SER A 87 4.859 -42.737 -13.904 1.00 0.00 O ATOM 1366 CB SER A 87 7.236 -44.948 -13.611 1.00 0.00 C ATOM 1367 OG SER A 87 7.940 -46.014 -14.224 1.00 0.00 O ATOM 0 H SER A 87 8.892 -43.538 -14.841 1.00 0.00 H new ATOM 0 HA SER A 87 6.171 -44.342 -15.377 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.858 -44.493 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.345 -45.334 -13.115 1.00 0.00 H new ATOM 0 HG SER A 87 8.186 -46.676 -13.545 1.00 0.00 H new ATOM 1373 N CYS A 88 6.843 -41.795 -13.416 1.00 0.00 N ATOM 1374 CA CYS A 88 6.256 -40.652 -12.728 1.00 0.00 C ATOM 1375 C CYS A 88 5.373 -39.843 -13.674 1.00 0.00 C ATOM 1376 O CYS A 88 4.392 -39.228 -13.253 1.00 0.00 O ATOM 1377 CB CYS A 88 7.355 -39.759 -12.150 1.00 0.00 C ATOM 1378 SG CYS A 88 6.773 -38.593 -10.877 1.00 0.00 S ATOM 0 H CYS A 88 7.863 -41.791 -13.446 1.00 0.00 H new ATOM 0 HA CYS A 88 5.637 -41.028 -11.914 1.00 0.00 H new ATOM 0 HB2 CYS A 88 8.133 -40.390 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 88 7.814 -39.195 -12.962 1.00 0.00 H new ATOM 0 HG CYS A 88 7.782 -38.193 -10.161 1.00 0.00 H new ATOM 1383 N THR A 89 5.727 -39.849 -14.955 1.00 0.00 N ATOM 1384 CA THR A 89 4.968 -39.116 -15.961 1.00 0.00 C ATOM 1385 C THR A 89 3.747 -39.908 -16.415 1.00 0.00 C ATOM 1386 O THR A 89 2.637 -39.380 -16.470 1.00 0.00 O ATOM 1387 CB THR A 89 5.837 -38.785 -17.189 1.00 0.00 C ATOM 1388 OG1 THR A 89 7.005 -38.064 -16.783 1.00 0.00 O ATOM 1389 CG2 THR A 89 5.053 -37.962 -18.201 1.00 0.00 C ATOM 0 H THR A 89 6.535 -40.353 -15.321 1.00 0.00 H new ATOM 0 HA THR A 89 4.641 -38.187 -15.495 1.00 0.00 H new ATOM 0 HB THR A 89 6.135 -39.722 -17.659 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.614 -38.668 -16.309 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.687 -37.740 -19.059 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.180 -38.526 -18.531 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.729 -37.029 -17.739 1.00 0.00 H new ATOM 1397 N LYS A 90 3.960 -41.179 -16.738 1.00 0.00 N ATOM 1398 CA LYS A 90 2.877 -42.047 -17.186 1.00 0.00 C ATOM 1399 C LYS A 90 1.581 -41.724 -16.448 1.00 0.00 C ATOM 1400 O LYS A 90 0.530 -41.554 -17.066 1.00 0.00 O ATOM 1401 CB LYS A 90 3.248 -43.515 -16.967 1.00 0.00 C ATOM 1402 CG LYS A 90 4.083 -44.106 -18.090 1.00 0.00 C ATOM 1403 CD LYS A 90 4.550 -45.513 -17.757 1.00 0.00 C ATOM 1404 CE LYS A 90 3.504 -46.551 -18.131 1.00 0.00 C ATOM 1405 NZ LYS A 90 2.525 -46.773 -17.031 1.00 0.00 N ATOM 0 H LYS A 90 4.873 -41.631 -16.698 1.00 0.00 H new ATOM 0 HA LYS A 90 2.722 -41.873 -18.251 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.798 -43.606 -16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.334 -44.100 -16.859 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.497 -44.124 -19.009 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.948 -43.469 -18.276 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.479 -45.724 -18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.768 -45.582 -16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.976 -46.227 -19.028 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.997 -47.492 -18.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.267 -47.780 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.951 -46.491 -16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.672 -46.203 -17.205 1.00 0.00 H new ATOM 1419 N SER A 91 1.664 -41.639 -15.124 1.00 0.00 N ATOM 1420 CA SER A 91 0.498 -41.339 -14.303 1.00 0.00 C ATOM 1421 C SER A 91 -0.025 -39.935 -14.594 1.00 0.00 C ATOM 1422 O SER A 91 -1.203 -39.750 -14.899 1.00 0.00 O ATOM 1423 CB SER A 91 0.845 -41.468 -12.819 1.00 0.00 C ATOM 1424 OG SER A 91 -0.141 -40.853 -12.008 1.00 0.00 O ATOM 0 H SER A 91 2.527 -41.774 -14.597 1.00 0.00 H new ATOM 0 HA SER A 91 -0.283 -42.058 -14.550 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.933 -42.521 -12.553 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.815 -41.009 -12.628 1.00 0.00 H new ATOM 0 HG SER A 91 0.104 -40.951 -11.064 1.00 0.00 H new ATOM 1430 N TYR A 92 0.861 -38.950 -14.498 1.00 0.00 N ATOM 1431 CA TYR A 92 0.490 -37.562 -14.748 1.00 0.00 C ATOM 1432 C TYR A 92 -0.253 -37.427 -16.073 1.00 0.00 C ATOM 1433 O TYR A 92 -1.342 -36.858 -16.131 1.00 0.00 O ATOM 1434 CB TYR A 92 1.735 -36.673 -14.756 1.00 0.00 C ATOM 1435 CG TYR A 92 1.427 -35.201 -14.909 1.00 0.00 C ATOM 1436 CD1 TYR A 92 0.861 -34.708 -16.078 1.00 0.00 C ATOM 1437 CD2 TYR A 92 1.703 -34.303 -13.885 1.00 0.00 C ATOM 1438 CE1 TYR A 92 0.579 -33.363 -16.223 1.00 0.00 C ATOM 1439 CE2 TYR A 92 1.422 -32.957 -14.020 1.00 0.00 C ATOM 1440 CZ TYR A 92 0.860 -32.492 -15.191 1.00 0.00 C ATOM 1441 OH TYR A 92 0.581 -31.152 -15.330 1.00 0.00 O ATOM 0 H TYR A 92 1.841 -39.087 -14.249 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.174 -37.240 -13.946 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.286 -36.826 -13.828 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.389 -36.985 -15.570 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.638 -35.387 -16.887 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.145 -34.663 -12.968 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.141 -32.996 -17.139 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.641 -32.273 -13.214 1.00 0.00 H new ATOM 0 HH TYR A 92 0.838 -30.678 -14.512 1.00 0.00 H new ATOM 1451 N GLU A 93 0.346 -37.955 -17.137 1.00 0.00 N ATOM 1452 CA GLU A 93 -0.259 -37.894 -18.462 1.00 0.00 C ATOM 1453 C GLU A 93 -1.651 -38.518 -18.454 1.00 0.00 C ATOM 1454 O GLU A 93 -2.609 -37.933 -18.959 1.00 0.00 O ATOM 1455 CB GLU A 93 0.627 -38.608 -19.485 1.00 0.00 C ATOM 1456 CG GLU A 93 1.783 -37.759 -19.987 1.00 0.00 C ATOM 1457 CD GLU A 93 2.512 -38.398 -21.153 1.00 0.00 C ATOM 1458 OE1 GLU A 93 1.870 -38.629 -22.199 1.00 0.00 O ATOM 1459 OE2 GLU A 93 3.724 -38.667 -21.020 1.00 0.00 O ATOM 0 H GLU A 93 1.249 -38.429 -17.107 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.352 -36.845 -18.743 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.024 -39.519 -19.036 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.015 -38.912 -20.334 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.407 -36.782 -20.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.486 -37.591 -19.172 1.00 0.00 H new