USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 118:sc= -0.418 USER MOD Set 1.2: A 70 CYS SG : rot -40:sc= -2.63 USER MOD Set 1.3: A 83 HIS :FLIP no HD1:sc= -0.737 F(o=-5,f=-4) USER MOD Set 1.4: A 87 HIS : no HE2:sc= -0.18 K(o=-4,f=-5.3) USER MOD Set 2.1: A 39 CYS SG : rot 100:sc= 0.404 USER MOD Set 2.2: A 42 CYS SG : rot 137:sc= 0.0319 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -2.09 K(o=-1.9,f=-4.9!) USER MOD Set 2.4: A 59 HIS : no HD1:sc= -0.268 K(o=-1.9,f=-3.8) USER MOD Set 3.1: A 11 CYS SG : rot 81:sc= -3.59! USER MOD Set 3.2: A 14 CYS SG : rot -54:sc= -0.676 USER MOD Set 3.3: A 27 HIS : no HD1:sc= -4.06! K(o=-15!,f=-19) USER MOD Set 3.4: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.5: A 31 HIS : no HD1:sc= -6.19! C(o=-15!,f=-20!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.0209 (180deg=-0.24) USER MOD Single : A 17 CYS SG : rot 21:sc= 0.0163 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.00036) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= -0.0364 (180deg=-0.999) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 150:sc=-0.00578 USER MOD Single : A 74 SER OG : rot 120:sc= 1.36 USER MOD Single : A 76 ASN : amide:sc= -1.31 K(o=-1.3,f=-15!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.205 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 20.309 -1.547 3.711 1.00 0.00 N ATOM 81 CA HIS A 9 19.206 -2.502 3.675 1.00 0.00 C ATOM 82 C HIS A 9 19.697 -3.883 3.253 1.00 0.00 C ATOM 83 O HIS A 9 20.296 -4.043 2.189 1.00 0.00 O ATOM 84 CB HIS A 9 18.118 -2.019 2.716 1.00 0.00 C ATOM 85 CG HIS A 9 17.697 -0.602 2.952 1.00 0.00 C ATOM 86 ND1 HIS A 9 16.648 -0.256 3.778 1.00 0.00 N ATOM 87 CD2 HIS A 9 18.191 0.561 2.466 1.00 0.00 C ATOM 88 CE1 HIS A 9 16.514 1.059 3.788 1.00 0.00 C ATOM 89 NE2 HIS A 9 17.438 1.578 3.001 1.00 0.00 N ATOM 0 HA HIS A 9 18.788 -2.576 4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.479 -2.116 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.248 -2.668 2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.022 0.669 1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.774 1.614 4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.571 2.573 2.820 1.00 0.00 H new ATOM 97 N LYS A 10 19.441 -4.879 4.095 1.00 0.00 N ATOM 98 CA LYS A 10 19.855 -6.248 3.810 1.00 0.00 C ATOM 99 C LYS A 10 18.704 -7.223 4.033 1.00 0.00 C ATOM 100 O LYS A 10 17.916 -7.065 4.966 1.00 0.00 O ATOM 101 CB LYS A 10 21.045 -6.636 4.692 1.00 0.00 C ATOM 102 CG LYS A 10 21.783 -7.872 4.207 1.00 0.00 C ATOM 103 CD LYS A 10 22.503 -8.574 5.346 1.00 0.00 C ATOM 104 CE LYS A 10 21.573 -9.514 6.098 1.00 0.00 C ATOM 105 NZ LYS A 10 22.135 -9.912 7.418 1.00 0.00 N ATOM 0 H LYS A 10 18.949 -4.763 4.981 1.00 0.00 H new ATOM 0 HA LYS A 10 20.153 -6.300 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 10 21.743 -5.800 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 10 20.692 -6.809 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 10 21.076 -8.560 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 10 22.503 -7.589 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.349 -9.136 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 10 22.907 -7.832 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.608 -9.029 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.393 -10.405 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.472 -10.552 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 23.044 -10.398 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.283 -9.064 8.002 1.00 0.00 H new ATOM 119 N CYS A 11 18.613 -8.231 3.173 1.00 0.00 N ATOM 120 CA CYS A 11 17.559 -9.233 3.276 1.00 0.00 C ATOM 121 C CYS A 11 18.026 -10.432 4.096 1.00 0.00 C ATOM 122 O CYS A 11 19.220 -10.723 4.162 1.00 0.00 O ATOM 123 CB CYS A 11 17.124 -9.692 1.883 1.00 0.00 C ATOM 124 SG CYS A 11 15.370 -10.172 1.772 1.00 0.00 S ATOM 0 H CYS A 11 19.257 -8.376 2.396 1.00 0.00 H new ATOM 0 HA CYS A 11 16.708 -8.778 3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.316 -8.889 1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.741 -10.539 1.582 1.00 0.00 H new ATOM 0 HG CYS A 11 14.636 -9.107 1.646 1.00 0.00 H new ATOM 129 N GLU A 12 17.077 -11.123 4.718 1.00 0.00 N ATOM 130 CA GLU A 12 17.392 -12.290 5.533 1.00 0.00 C ATOM 131 C GLU A 12 16.707 -13.539 4.984 1.00 0.00 C ATOM 132 O GLU A 12 17.202 -14.654 5.147 1.00 0.00 O ATOM 133 CB GLU A 12 16.964 -12.057 6.984 1.00 0.00 C ATOM 134 CG GLU A 12 15.477 -11.789 7.144 1.00 0.00 C ATOM 135 CD GLU A 12 15.097 -11.445 8.571 1.00 0.00 C ATOM 136 OE1 GLU A 12 14.916 -12.380 9.379 1.00 0.00 O ATOM 137 OE2 GLU A 12 14.980 -10.241 8.879 1.00 0.00 O ATOM 0 H GLU A 12 16.084 -10.895 4.673 1.00 0.00 H new ATOM 0 HA GLU A 12 18.471 -12.444 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.233 -12.930 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.522 -11.212 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.187 -10.969 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.917 -12.668 6.824 1.00 0.00 H new ATOM 144 N VAL A 13 15.565 -13.342 4.333 1.00 0.00 N ATOM 145 CA VAL A 13 14.812 -14.451 3.759 1.00 0.00 C ATOM 146 C VAL A 13 15.629 -15.179 2.697 1.00 0.00 C ATOM 147 O VAL A 13 15.528 -16.397 2.547 1.00 0.00 O ATOM 148 CB VAL A 13 13.491 -13.967 3.131 1.00 0.00 C ATOM 149 CG1 VAL A 13 12.544 -13.459 4.207 1.00 0.00 C ATOM 150 CG2 VAL A 13 13.759 -12.889 2.092 1.00 0.00 C ATOM 0 H VAL A 13 15.141 -12.425 4.190 1.00 0.00 H new ATOM 0 HA VAL A 13 14.588 -15.137 4.576 1.00 0.00 H new ATOM 0 HB VAL A 13 13.015 -14.811 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.616 -13.121 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.328 -14.263 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.009 -12.628 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.815 -12.559 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.257 -12.043 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.398 -13.292 1.306 1.00 0.00 H new ATOM 160 N CYS A 14 16.440 -14.425 1.962 1.00 0.00 N ATOM 161 CA CYS A 14 17.276 -14.998 0.914 1.00 0.00 C ATOM 162 C CYS A 14 18.740 -14.614 1.115 1.00 0.00 C ATOM 163 O CYS A 14 19.644 -15.380 0.786 1.00 0.00 O ATOM 164 CB CYS A 14 16.799 -14.527 -0.461 1.00 0.00 C ATOM 165 SG CYS A 14 16.979 -12.736 -0.739 1.00 0.00 S ATOM 0 H CYS A 14 16.536 -13.416 2.073 1.00 0.00 H new ATOM 0 HA CYS A 14 17.192 -16.083 0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 14 17.358 -15.061 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.750 -14.799 -0.582 1.00 0.00 H new ATOM 0 HG CYS A 14 16.388 -12.087 0.220 1.00 0.00 H new ATOM 170 N GLY A 15 18.964 -13.422 1.659 1.00 0.00 N ATOM 171 CA GLY A 15 20.318 -12.957 1.895 1.00 0.00 C ATOM 172 C GLY A 15 20.853 -12.123 0.748 1.00 0.00 C ATOM 173 O GLY A 15 22.032 -12.209 0.404 1.00 0.00 O ATOM 0 H GLY A 15 18.232 -12.770 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.342 -12.367 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.971 -13.815 2.052 1.00 0.00 H new ATOM 177 N LYS A 16 19.984 -11.313 0.152 1.00 0.00 N ATOM 178 CA LYS A 16 20.375 -10.459 -0.963 1.00 0.00 C ATOM 179 C LYS A 16 20.621 -9.029 -0.494 1.00 0.00 C ATOM 180 O LYS A 16 20.145 -8.623 0.567 1.00 0.00 O ATOM 181 CB LYS A 16 19.292 -10.472 -2.045 1.00 0.00 C ATOM 182 CG LYS A 16 19.441 -11.609 -3.041 1.00 0.00 C ATOM 183 CD LYS A 16 18.606 -11.372 -4.288 1.00 0.00 C ATOM 184 CE LYS A 16 19.364 -10.548 -5.318 1.00 0.00 C ATOM 185 NZ LYS A 16 20.476 -11.321 -5.936 1.00 0.00 N ATOM 0 H LYS A 16 19.004 -11.230 0.423 1.00 0.00 H new ATOM 0 HA LYS A 16 21.303 -10.850 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.315 -10.544 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.316 -9.524 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.490 -11.715 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.139 -12.546 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.322 -12.330 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.683 -10.859 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.676 -10.216 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.764 -9.652 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.757 -10.870 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.288 -11.340 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.160 -12.294 -6.123 1.00 0.00 H new ATOM 199 N CYS A 17 21.367 -8.270 -1.289 1.00 0.00 N ATOM 200 CA CYS A 17 21.676 -6.884 -0.955 1.00 0.00 C ATOM 201 C CYS A 17 21.269 -5.948 -2.087 1.00 0.00 C ATOM 202 O CYS A 17 21.285 -6.328 -3.258 1.00 0.00 O ATOM 203 CB CYS A 17 23.169 -6.730 -0.661 1.00 0.00 C ATOM 204 SG CYS A 17 24.237 -7.027 -2.089 1.00 0.00 S ATOM 0 H CYS A 17 21.769 -8.591 -2.170 1.00 0.00 H new ATOM 0 HA CYS A 17 21.108 -6.615 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 17 23.353 -5.723 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 17 23.445 -7.421 0.135 1.00 0.00 H new ATOM 0 HG CYS A 17 23.548 -6.886 -3.183 1.00 0.00 H new ATOM 210 N PHE A 18 20.902 -4.721 -1.731 1.00 0.00 N ATOM 211 CA PHE A 18 20.487 -3.730 -2.717 1.00 0.00 C ATOM 212 C PHE A 18 21.038 -2.351 -2.367 1.00 0.00 C ATOM 213 O PHE A 18 21.081 -1.967 -1.198 1.00 0.00 O ATOM 214 CB PHE A 18 18.961 -3.676 -2.806 1.00 0.00 C ATOM 215 CG PHE A 18 18.327 -5.012 -3.070 1.00 0.00 C ATOM 216 CD1 PHE A 18 18.156 -5.467 -4.367 1.00 0.00 C ATOM 217 CD2 PHE A 18 17.904 -5.812 -2.021 1.00 0.00 C ATOM 218 CE1 PHE A 18 17.572 -6.696 -4.613 1.00 0.00 C ATOM 219 CE2 PHE A 18 17.320 -7.042 -2.261 1.00 0.00 C ATOM 220 CZ PHE A 18 17.155 -7.485 -3.558 1.00 0.00 C ATOM 0 H PHE A 18 20.884 -4.389 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 18 20.889 -4.027 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.565 -3.273 -1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.676 -2.985 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.482 -4.855 -5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.032 -5.471 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.442 -7.039 -5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.993 -7.656 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.701 -8.446 -3.748 1.00 0.00 H new ATOM 230 N SER A 19 21.457 -1.611 -3.388 1.00 0.00 N ATOM 231 CA SER A 19 22.009 -0.276 -3.189 1.00 0.00 C ATOM 232 C SER A 19 20.925 0.698 -2.739 1.00 0.00 C ATOM 233 O SER A 19 21.133 1.498 -1.826 1.00 0.00 O ATOM 234 CB SER A 19 22.660 0.228 -4.479 1.00 0.00 C ATOM 235 OG SER A 19 24.028 -0.137 -4.535 1.00 0.00 O ATOM 0 H SER A 19 21.425 -1.913 -4.362 1.00 0.00 H new ATOM 0 HA SER A 19 22.767 -0.336 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.135 -0.184 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.567 1.312 -4.538 1.00 0.00 H new ATOM 0 HG SER A 19 24.421 0.195 -5.369 1.00 0.00 H new ATOM 241 N ARG A 20 19.766 0.625 -3.386 1.00 0.00 N ATOM 242 CA ARG A 20 18.649 1.501 -3.054 1.00 0.00 C ATOM 243 C ARG A 20 17.587 0.748 -2.258 1.00 0.00 C ATOM 244 O ARG A 20 17.687 -0.462 -2.056 1.00 0.00 O ATOM 245 CB ARG A 20 18.031 2.080 -4.328 1.00 0.00 C ATOM 246 CG ARG A 20 18.989 2.946 -5.130 1.00 0.00 C ATOM 247 CD ARG A 20 18.606 2.986 -6.601 1.00 0.00 C ATOM 248 NE ARG A 20 19.709 3.441 -7.442 1.00 0.00 N ATOM 249 CZ ARG A 20 19.595 3.668 -8.746 1.00 0.00 C ATOM 250 NH1 ARG A 20 18.431 3.483 -9.354 1.00 0.00 N ATOM 251 NH2 ARG A 20 20.645 4.082 -9.443 1.00 0.00 N ATOM 0 H ARG A 20 19.576 -0.032 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 20 19.029 2.317 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.681 1.261 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.156 2.672 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.991 3.958 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.003 2.560 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.292 1.992 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.751 3.649 -6.735 1.00 0.00 H new ATOM 0 HE ARG A 20 20.618 3.593 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.622 3.166 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.345 3.658 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.541 4.226 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.556 4.256 -10.444 1.00 0.00 H new ATOM 265 N LYS A 21 16.569 1.474 -1.806 1.00 0.00 N ATOM 266 CA LYS A 21 15.488 0.877 -1.032 1.00 0.00 C ATOM 267 C LYS A 21 14.392 0.344 -1.949 1.00 0.00 C ATOM 268 O LYS A 21 13.795 -0.699 -1.680 1.00 0.00 O ATOM 269 CB LYS A 21 14.900 1.904 -0.061 1.00 0.00 C ATOM 270 CG LYS A 21 14.060 2.971 -0.740 1.00 0.00 C ATOM 271 CD LYS A 21 12.602 2.555 -0.837 1.00 0.00 C ATOM 272 CE LYS A 21 11.711 3.728 -1.217 1.00 0.00 C ATOM 273 NZ LYS A 21 11.752 4.004 -2.680 1.00 0.00 N ATOM 0 H LYS A 21 16.471 2.477 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 21 15.900 0.043 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.287 1.385 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.713 2.385 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.137 3.905 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.452 3.163 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.497 1.762 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.276 2.144 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.685 3.517 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.028 4.617 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.132 4.810 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.727 4.230 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.426 3.165 -3.201 1.00 0.00 H new ATOM 287 N ASP A 22 14.132 1.066 -3.034 1.00 0.00 N ATOM 288 CA ASP A 22 13.110 0.664 -3.993 1.00 0.00 C ATOM 289 C ASP A 22 13.207 -0.827 -4.299 1.00 0.00 C ATOM 290 O ASP A 22 12.231 -1.565 -4.163 1.00 0.00 O ATOM 291 CB ASP A 22 13.246 1.473 -5.284 1.00 0.00 C ATOM 292 CG ASP A 22 12.404 0.908 -6.412 1.00 0.00 C ATOM 293 OD1 ASP A 22 11.165 1.060 -6.361 1.00 0.00 O ATOM 294 OD2 ASP A 22 12.984 0.316 -7.345 1.00 0.00 O ATOM 0 H ASP A 22 14.615 1.933 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 22 12.134 0.862 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.951 2.505 -5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.292 1.492 -5.589 1.00 0.00 H new ATOM 299 N LYS A 23 14.391 -1.264 -4.714 1.00 0.00 N ATOM 300 CA LYS A 23 14.618 -2.667 -5.040 1.00 0.00 C ATOM 301 C LYS A 23 14.097 -3.575 -3.930 1.00 0.00 C ATOM 302 O LYS A 23 13.304 -4.483 -4.178 1.00 0.00 O ATOM 303 CB LYS A 23 16.110 -2.925 -5.266 1.00 0.00 C ATOM 304 CG LYS A 23 16.590 -2.541 -6.654 1.00 0.00 C ATOM 305 CD LYS A 23 16.364 -3.663 -7.653 1.00 0.00 C ATOM 306 CE LYS A 23 17.293 -3.539 -8.851 1.00 0.00 C ATOM 307 NZ LYS A 23 17.531 -4.855 -9.507 1.00 0.00 N ATOM 0 H LYS A 23 15.209 -0.666 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 23 14.073 -2.894 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.683 -2.367 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.317 -3.982 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.065 -1.645 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.651 -2.294 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.525 -4.624 -7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.328 -3.647 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.863 -2.845 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.245 -3.116 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.169 -4.728 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.965 -5.509 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.626 -5.248 -9.836 1.00 0.00 H new ATOM 321 N LEU A 24 14.547 -3.322 -2.705 1.00 0.00 N ATOM 322 CA LEU A 24 14.124 -4.115 -1.556 1.00 0.00 C ATOM 323 C LEU A 24 12.604 -4.122 -1.428 1.00 0.00 C ATOM 324 O LEU A 24 11.987 -5.177 -1.281 1.00 0.00 O ATOM 325 CB LEU A 24 14.753 -3.567 -0.274 1.00 0.00 C ATOM 326 CG LEU A 24 14.598 -4.436 0.974 1.00 0.00 C ATOM 327 CD1 LEU A 24 15.677 -5.506 1.018 1.00 0.00 C ATOM 328 CD2 LEU A 24 14.644 -3.578 2.230 1.00 0.00 C ATOM 0 H LEU A 24 15.204 -2.574 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 24 14.461 -5.140 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.817 -3.410 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.317 -2.590 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 24 13.627 -4.930 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.550 -6.114 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.597 -6.140 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.659 -5.032 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.532 -4.213 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.599 -3.056 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.833 -2.850 2.203 1.00 0.00 H new ATOM 340 N LYS A 25 12.006 -2.937 -1.487 1.00 0.00 N ATOM 341 CA LYS A 25 10.558 -2.804 -1.382 1.00 0.00 C ATOM 342 C LYS A 25 9.852 -3.932 -2.128 1.00 0.00 C ATOM 343 O LYS A 25 9.195 -4.778 -1.520 1.00 0.00 O ATOM 344 CB LYS A 25 10.107 -1.451 -1.936 1.00 0.00 C ATOM 345 CG LYS A 25 8.676 -1.092 -1.575 1.00 0.00 C ATOM 346 CD LYS A 25 8.198 0.132 -2.338 1.00 0.00 C ATOM 347 CE LYS A 25 6.890 0.665 -1.774 1.00 0.00 C ATOM 348 NZ LYS A 25 6.076 1.351 -2.815 1.00 0.00 N ATOM 0 H LYS A 25 12.502 -2.054 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 25 10.289 -2.865 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.773 -0.674 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.208 -1.461 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.022 -1.936 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.606 -0.904 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.959 0.911 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.065 -0.122 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.316 -0.158 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.101 1.360 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.193 1.700 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.613 2.152 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.852 0.681 -3.578 1.00 0.00 H new ATOM 362 N THR A 26 9.994 -3.941 -3.450 1.00 0.00 N ATOM 363 CA THR A 26 9.371 -4.965 -4.279 1.00 0.00 C ATOM 364 C THR A 26 10.029 -6.322 -4.063 1.00 0.00 C ATOM 365 O THR A 26 9.348 -7.330 -3.870 1.00 0.00 O ATOM 366 CB THR A 26 9.448 -4.601 -5.773 1.00 0.00 C ATOM 367 OG1 THR A 26 9.105 -3.223 -5.961 1.00 0.00 O ATOM 368 CG2 THR A 26 8.512 -5.478 -6.592 1.00 0.00 C ATOM 0 H THR A 26 10.535 -3.250 -3.969 1.00 0.00 H new ATOM 0 HA THR A 26 8.324 -5.021 -3.980 1.00 0.00 H new ATOM 0 HB THR A 26 10.470 -4.770 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.158 -3.000 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.583 -5.203 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.794 -6.524 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.487 -5.336 -6.249 1.00 0.00 H new ATOM 376 N HIS A 27 11.358 -6.343 -4.096 1.00 0.00 N ATOM 377 CA HIS A 27 12.109 -7.578 -3.902 1.00 0.00 C ATOM 378 C HIS A 27 11.396 -8.498 -2.916 1.00 0.00 C ATOM 379 O HIS A 27 11.363 -9.715 -3.101 1.00 0.00 O ATOM 380 CB HIS A 27 13.520 -7.269 -3.400 1.00 0.00 C ATOM 381 CG HIS A 27 14.282 -8.484 -2.971 1.00 0.00 C ATOM 382 ND1 HIS A 27 14.459 -9.587 -3.780 1.00 0.00 N ATOM 383 CD2 HIS A 27 14.918 -8.766 -1.810 1.00 0.00 C ATOM 384 CE1 HIS A 27 15.168 -10.495 -3.135 1.00 0.00 C ATOM 385 NE2 HIS A 27 15.460 -10.021 -1.937 1.00 0.00 N ATOM 0 H HIS A 27 11.937 -5.518 -4.255 1.00 0.00 H new ATOM 0 HA HIS A 27 12.177 -8.087 -4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.075 -6.762 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.455 -6.576 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.986 -8.123 -0.945 1.00 0.00 H new ATOM 0 HE1 HIS A 27 15.460 -11.461 -3.521 1.00 0.00 H new ATOM 0 HE2 HIS A 27 16.000 -10.508 -1.222 1.00 0.00 H new ATOM 393 N MET A 28 10.827 -7.910 -1.870 1.00 0.00 N ATOM 394 CA MET A 28 10.114 -8.677 -0.855 1.00 0.00 C ATOM 395 C MET A 28 8.871 -9.336 -1.445 1.00 0.00 C ATOM 396 O MET A 28 8.622 -10.521 -1.226 1.00 0.00 O ATOM 397 CB MET A 28 9.720 -7.774 0.315 1.00 0.00 C ATOM 398 CG MET A 28 10.910 -7.170 1.044 1.00 0.00 C ATOM 399 SD MET A 28 12.195 -8.383 1.400 1.00 0.00 S ATOM 400 CE MET A 28 12.284 -8.269 3.185 1.00 0.00 C ATOM 0 H MET A 28 10.845 -6.904 -1.702 1.00 0.00 H new ATOM 0 HA MET A 28 10.781 -9.459 -0.492 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.085 -6.969 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.124 -8.350 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.332 -6.367 0.440 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.570 -6.722 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.038 -8.963 3.557 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.553 -7.252 3.472 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.315 -8.522 3.615 1.00 0.00 H new ATOM 410 N ARG A 29 8.095 -8.560 -2.195 1.00 0.00 N ATOM 411 CA ARG A 29 6.878 -9.068 -2.815 1.00 0.00 C ATOM 412 C ARG A 29 7.039 -10.534 -3.208 1.00 0.00 C ATOM 413 O ARG A 29 6.100 -11.323 -3.097 1.00 0.00 O ATOM 414 CB ARG A 29 6.522 -8.235 -4.048 1.00 0.00 C ATOM 415 CG ARG A 29 5.981 -6.854 -3.714 1.00 0.00 C ATOM 416 CD ARG A 29 5.379 -6.182 -4.938 1.00 0.00 C ATOM 417 NE ARG A 29 3.967 -6.514 -5.106 1.00 0.00 N ATOM 418 CZ ARG A 29 3.123 -5.791 -5.833 1.00 0.00 C ATOM 419 NH1 ARG A 29 3.546 -4.700 -6.457 1.00 0.00 N ATOM 420 NH2 ARG A 29 1.852 -6.158 -5.938 1.00 0.00 N ATOM 0 H ARG A 29 8.288 -7.577 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 29 6.070 -8.991 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.409 -8.127 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.781 -8.774 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.224 -6.937 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.784 -6.234 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.489 -5.101 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.931 -6.487 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 29 3.609 -7.347 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.522 -4.414 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.895 -4.147 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.522 -6.996 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.205 -5.602 -6.497 1.00 0.00 H new ATOM 434 N CYS A 30 8.233 -10.890 -3.667 1.00 0.00 N ATOM 435 CA CYS A 30 8.517 -12.261 -4.078 1.00 0.00 C ATOM 436 C CYS A 30 8.413 -13.216 -2.893 1.00 0.00 C ATOM 437 O CYS A 30 7.645 -14.179 -2.924 1.00 0.00 O ATOM 438 CB CYS A 30 9.911 -12.351 -4.700 1.00 0.00 C ATOM 439 SG CYS A 30 9.975 -11.865 -6.441 1.00 0.00 S ATOM 0 H CYS A 30 9.020 -10.249 -3.764 1.00 0.00 H new ATOM 0 HA CYS A 30 7.776 -12.552 -4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.592 -11.718 -4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.274 -13.375 -4.606 1.00 0.00 H new ATOM 0 HG CYS A 30 11.195 -11.972 -6.877 1.00 0.00 H new ATOM 445 N HIS A 31 9.191 -12.944 -1.851 1.00 0.00 N ATOM 446 CA HIS A 31 9.187 -13.780 -0.656 1.00 0.00 C ATOM 447 C HIS A 31 7.789 -13.855 -0.049 1.00 0.00 C ATOM 448 O HIS A 31 7.266 -14.941 0.200 1.00 0.00 O ATOM 449 CB HIS A 31 10.175 -13.236 0.377 1.00 0.00 C ATOM 450 CG HIS A 31 11.502 -12.857 -0.206 1.00 0.00 C ATOM 451 ND1 HIS A 31 12.254 -13.711 -0.984 1.00 0.00 N ATOM 452 CD2 HIS A 31 12.210 -11.706 -0.122 1.00 0.00 C ATOM 453 CE1 HIS A 31 13.368 -13.103 -1.352 1.00 0.00 C ATOM 454 NE2 HIS A 31 13.365 -11.885 -0.842 1.00 0.00 N ATOM 0 H HIS A 31 9.832 -12.152 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 31 9.493 -14.785 -0.946 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.738 -12.363 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.329 -13.987 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.920 -10.813 0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.148 -13.530 -1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.101 -11.190 -0.963 1.00 0.00 H new ATOM 535 N TYR A 37 -3.960 -18.262 2.030 1.00 0.00 N ATOM 536 CA TYR A 37 -5.363 -18.625 1.866 1.00 0.00 C ATOM 537 C TYR A 37 -5.575 -20.112 2.134 1.00 0.00 C ATOM 538 O TYR A 37 -5.349 -20.951 1.262 1.00 0.00 O ATOM 539 CB TYR A 37 -5.841 -18.276 0.456 1.00 0.00 C ATOM 540 CG TYR A 37 -5.707 -16.808 0.117 1.00 0.00 C ATOM 541 CD1 TYR A 37 -6.652 -15.887 0.551 1.00 0.00 C ATOM 542 CD2 TYR A 37 -4.637 -16.343 -0.636 1.00 0.00 C ATOM 543 CE1 TYR A 37 -6.535 -14.545 0.243 1.00 0.00 C ATOM 544 CE2 TYR A 37 -4.510 -15.003 -0.947 1.00 0.00 C ATOM 545 CZ TYR A 37 -5.462 -14.108 -0.505 1.00 0.00 C ATOM 546 OH TYR A 37 -5.341 -12.773 -0.814 1.00 0.00 O ATOM 0 HA TYR A 37 -5.946 -18.057 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.272 -18.861 -0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.885 -18.570 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.492 -16.225 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.891 -17.041 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.280 -13.842 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.671 -14.658 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.530 -12.632 -1.345 1.00 0.00 H new ATOM 556 N LYS A 38 -6.013 -20.431 3.347 1.00 0.00 N ATOM 557 CA LYS A 38 -6.259 -21.816 3.732 1.00 0.00 C ATOM 558 C LYS A 38 -7.719 -22.020 4.124 1.00 0.00 C ATOM 559 O LYS A 38 -8.392 -21.086 4.560 1.00 0.00 O ATOM 560 CB LYS A 38 -5.347 -22.213 4.895 1.00 0.00 C ATOM 561 CG LYS A 38 -3.914 -22.491 4.476 1.00 0.00 C ATOM 562 CD LYS A 38 -3.052 -21.244 4.577 1.00 0.00 C ATOM 563 CE LYS A 38 -1.591 -21.594 4.812 1.00 0.00 C ATOM 564 NZ LYS A 38 -0.755 -20.379 5.018 1.00 0.00 N ATOM 0 H LYS A 38 -6.205 -19.749 4.081 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.039 -22.451 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.351 -21.415 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.754 -23.101 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.495 -23.276 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.899 -22.863 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.145 -20.661 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.412 -20.616 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.509 -22.243 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.211 -22.156 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.234 -20.660 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.813 -19.771 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.102 -19.856 5.847 1.00 0.00 H new ATOM 578 N CYS A 39 -8.203 -23.248 3.968 1.00 0.00 N ATOM 579 CA CYS A 39 -9.583 -23.576 4.307 1.00 0.00 C ATOM 580 C CYS A 39 -9.749 -23.736 5.815 1.00 0.00 C ATOM 581 O CYS A 39 -8.977 -24.442 6.465 1.00 0.00 O ATOM 582 CB CYS A 39 -10.013 -24.860 3.595 1.00 0.00 C ATOM 583 SG CYS A 39 -11.816 -25.115 3.548 1.00 0.00 S ATOM 0 H CYS A 39 -7.660 -24.033 3.609 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.218 -22.755 3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.633 -24.841 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.549 -25.712 4.093 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.275 -24.757 2.386 1.00 0.00 H new ATOM 588 N LYS A 40 -10.762 -23.077 6.366 1.00 0.00 N ATOM 589 CA LYS A 40 -11.033 -23.147 7.797 1.00 0.00 C ATOM 590 C LYS A 40 -11.280 -24.587 8.235 1.00 0.00 C ATOM 591 O LYS A 40 -11.160 -24.918 9.415 1.00 0.00 O ATOM 592 CB LYS A 40 -12.244 -22.281 8.151 1.00 0.00 C ATOM 593 CG LYS A 40 -13.567 -22.867 7.688 1.00 0.00 C ATOM 594 CD LYS A 40 -13.927 -22.395 6.290 1.00 0.00 C ATOM 595 CE LYS A 40 -15.434 -22.312 6.101 1.00 0.00 C ATOM 596 NZ LYS A 40 -15.804 -21.390 4.991 1.00 0.00 N ATOM 0 H LYS A 40 -11.410 -22.488 5.843 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.157 -22.770 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.277 -22.141 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.117 -21.294 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.509 -23.955 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.356 -22.581 8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.482 -21.416 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.504 -23.078 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.829 -23.306 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.898 -21.971 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.839 -21.361 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.449 -20.435 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.383 -21.729 4.103 1.00 0.00 H new ATOM 610 N THR A 41 -11.623 -25.442 7.276 1.00 0.00 N ATOM 611 CA THR A 41 -11.886 -26.847 7.562 1.00 0.00 C ATOM 612 C THR A 41 -10.750 -27.732 7.061 1.00 0.00 C ATOM 613 O THR A 41 -10.101 -28.428 7.842 1.00 0.00 O ATOM 614 CB THR A 41 -13.207 -27.313 6.921 1.00 0.00 C ATOM 615 OG1 THR A 41 -14.295 -26.522 7.411 1.00 0.00 O ATOM 616 CG2 THR A 41 -13.465 -28.782 7.222 1.00 0.00 C ATOM 0 H THR A 41 -11.725 -25.185 6.294 1.00 0.00 H new ATOM 0 HA THR A 41 -11.964 -26.940 8.645 1.00 0.00 H new ATOM 0 HB THR A 41 -13.126 -27.188 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.131 -26.823 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.403 -29.089 6.759 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.649 -29.384 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.528 -28.927 8.301 1.00 0.00 H new ATOM 624 N CYS A 42 -10.515 -27.701 5.754 1.00 0.00 N ATOM 625 CA CYS A 42 -9.458 -28.500 5.147 1.00 0.00 C ATOM 626 C CYS A 42 -8.091 -27.866 5.389 1.00 0.00 C ATOM 627 O CYS A 42 -7.995 -26.709 5.798 1.00 0.00 O ATOM 628 CB CYS A 42 -9.703 -28.653 3.645 1.00 0.00 C ATOM 629 SG CYS A 42 -11.460 -28.803 3.190 1.00 0.00 S ATOM 0 H CYS A 42 -11.043 -27.130 5.094 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.470 -29.486 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.277 -27.793 3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.170 -29.534 3.289 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.701 -28.072 2.142 1.00 0.00 H new ATOM 634 N ASP A 43 -7.036 -28.632 5.132 1.00 0.00 N ATOM 635 CA ASP A 43 -5.674 -28.146 5.320 1.00 0.00 C ATOM 636 C ASP A 43 -5.023 -27.823 3.978 1.00 0.00 C ATOM 637 O ASP A 43 -3.825 -28.040 3.790 1.00 0.00 O ATOM 638 CB ASP A 43 -4.838 -29.184 6.070 1.00 0.00 C ATOM 639 CG ASP A 43 -5.369 -29.457 7.463 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.450 -28.503 8.265 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.702 -30.626 7.753 1.00 0.00 O ATOM 0 H ASP A 43 -7.098 -29.592 4.793 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.719 -27.232 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.823 -30.114 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.808 -28.836 6.139 1.00 0.00 H new ATOM 646 N TYR A 44 -5.819 -27.306 3.049 1.00 0.00 N ATOM 647 CA TYR A 44 -5.320 -26.956 1.724 1.00 0.00 C ATOM 648 C TYR A 44 -4.812 -25.518 1.695 1.00 0.00 C ATOM 649 O TYR A 44 -5.335 -24.649 2.391 1.00 0.00 O ATOM 650 CB TYR A 44 -6.421 -27.141 0.678 1.00 0.00 C ATOM 651 CG TYR A 44 -6.098 -26.511 -0.658 1.00 0.00 C ATOM 652 CD1 TYR A 44 -4.951 -26.866 -1.357 1.00 0.00 C ATOM 653 CD2 TYR A 44 -6.941 -25.561 -1.222 1.00 0.00 C ATOM 654 CE1 TYR A 44 -4.651 -26.292 -2.577 1.00 0.00 C ATOM 655 CE2 TYR A 44 -6.650 -24.982 -2.442 1.00 0.00 C ATOM 656 CZ TYR A 44 -5.504 -25.351 -3.116 1.00 0.00 C ATOM 657 OH TYR A 44 -5.210 -24.778 -4.332 1.00 0.00 O ATOM 0 H TYR A 44 -6.812 -27.120 3.189 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.488 -27.620 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.599 -28.207 0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.348 -26.712 1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.282 -27.604 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.839 -25.270 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.754 -26.578 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.316 -24.245 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.912 -24.137 -4.570 1.00 0.00 H new ATOM 667 N ALA A 45 -3.787 -25.276 0.884 1.00 0.00 N ATOM 668 CA ALA A 45 -3.208 -23.944 0.761 1.00 0.00 C ATOM 669 C ALA A 45 -3.190 -23.486 -0.693 1.00 0.00 C ATOM 670 O ALA A 45 -2.638 -24.163 -1.560 1.00 0.00 O ATOM 671 CB ALA A 45 -1.801 -23.925 1.340 1.00 0.00 C ATOM 0 H ALA A 45 -3.341 -25.985 0.302 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.831 -23.250 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.381 -22.924 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.837 -24.201 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.176 -24.636 0.800 1.00 0.00 H new ATOM 677 N ALA A 46 -3.798 -22.333 -0.953 1.00 0.00 N ATOM 678 CA ALA A 46 -3.850 -21.784 -2.303 1.00 0.00 C ATOM 679 C ALA A 46 -3.071 -20.476 -2.394 1.00 0.00 C ATOM 680 O ALA A 46 -3.269 -19.568 -1.588 1.00 0.00 O ATOM 681 CB ALA A 46 -5.295 -21.571 -2.730 1.00 0.00 C ATOM 0 H ALA A 46 -4.261 -21.761 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.385 -22.501 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.319 -21.161 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.824 -22.524 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.778 -20.875 -2.044 1.00 0.00 H new ATOM 687 N ALA A 47 -2.185 -20.388 -3.380 1.00 0.00 N ATOM 688 CA ALA A 47 -1.377 -19.191 -3.577 1.00 0.00 C ATOM 689 C ALA A 47 -2.142 -18.137 -4.370 1.00 0.00 C ATOM 690 O ALA A 47 -1.568 -17.432 -5.199 1.00 0.00 O ATOM 691 CB ALA A 47 -0.075 -19.542 -4.281 1.00 0.00 C ATOM 0 H ALA A 47 -2.008 -21.132 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.146 -18.774 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.518 -18.638 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.486 -20.254 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.295 -19.986 -5.252 1.00 0.00 H new ATOM 697 N ASP A 48 -3.441 -18.035 -4.110 1.00 0.00 N ATOM 698 CA ASP A 48 -4.286 -17.067 -4.799 1.00 0.00 C ATOM 699 C ASP A 48 -5.659 -16.977 -4.142 1.00 0.00 C ATOM 700 O ASP A 48 -6.283 -17.996 -3.843 1.00 0.00 O ATOM 701 CB ASP A 48 -4.436 -17.447 -6.273 1.00 0.00 C ATOM 702 CG ASP A 48 -4.748 -16.251 -7.151 1.00 0.00 C ATOM 703 OD1 ASP A 48 -4.249 -15.146 -6.848 1.00 0.00 O ATOM 704 OD2 ASP A 48 -5.490 -16.419 -8.141 1.00 0.00 O ATOM 0 H ASP A 48 -3.932 -18.611 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.807 -16.091 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.516 -17.918 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.230 -18.186 -6.375 1.00 0.00 H new ATOM 709 N SER A 49 -6.124 -15.752 -3.918 1.00 0.00 N ATOM 710 CA SER A 49 -7.422 -15.530 -3.291 1.00 0.00 C ATOM 711 C SER A 49 -8.518 -16.298 -4.024 1.00 0.00 C ATOM 712 O SER A 49 -9.329 -16.986 -3.405 1.00 0.00 O ATOM 713 CB SER A 49 -7.754 -14.037 -3.273 1.00 0.00 C ATOM 714 OG SER A 49 -8.916 -13.782 -2.503 1.00 0.00 O ATOM 0 H SER A 49 -5.622 -14.898 -4.161 1.00 0.00 H new ATOM 0 HA SER A 49 -7.370 -15.896 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.912 -13.479 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.905 -13.682 -4.293 1.00 0.00 H new ATOM 0 HG SER A 49 -9.106 -12.821 -2.506 1.00 0.00 H new ATOM 720 N SER A 50 -8.535 -16.173 -5.347 1.00 0.00 N ATOM 721 CA SER A 50 -9.533 -16.851 -6.166 1.00 0.00 C ATOM 722 C SER A 50 -9.410 -18.366 -6.030 1.00 0.00 C ATOM 723 O SER A 50 -10.403 -19.065 -5.835 1.00 0.00 O ATOM 724 CB SER A 50 -9.381 -16.446 -7.633 1.00 0.00 C ATOM 725 OG SER A 50 -9.529 -15.045 -7.793 1.00 0.00 O ATOM 0 H SER A 50 -7.869 -15.609 -5.875 1.00 0.00 H new ATOM 0 HA SER A 50 -10.520 -16.551 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.402 -16.756 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.126 -16.965 -8.236 1.00 0.00 H new ATOM 0 HG SER A 50 -9.426 -14.811 -8.739 1.00 0.00 H new ATOM 731 N SER A 51 -8.182 -18.865 -6.134 1.00 0.00 N ATOM 732 CA SER A 51 -7.927 -20.296 -6.026 1.00 0.00 C ATOM 733 C SER A 51 -8.699 -20.899 -4.856 1.00 0.00 C ATOM 734 O SER A 51 -9.404 -21.898 -5.010 1.00 0.00 O ATOM 735 CB SER A 51 -6.430 -20.558 -5.852 1.00 0.00 C ATOM 736 OG SER A 51 -5.769 -20.590 -7.106 1.00 0.00 O ATOM 0 H SER A 51 -7.349 -18.299 -6.293 1.00 0.00 H new ATOM 0 HA SER A 51 -8.267 -20.770 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.992 -19.781 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.281 -21.506 -5.334 1.00 0.00 H new ATOM 0 HG SER A 51 -4.813 -20.757 -6.968 1.00 0.00 H new ATOM 742 N LEU A 52 -8.562 -20.285 -3.686 1.00 0.00 N ATOM 743 CA LEU A 52 -9.246 -20.760 -2.488 1.00 0.00 C ATOM 744 C LEU A 52 -10.759 -20.668 -2.653 1.00 0.00 C ATOM 745 O LEU A 52 -11.496 -21.547 -2.209 1.00 0.00 O ATOM 746 CB LEU A 52 -8.803 -19.948 -1.269 1.00 0.00 C ATOM 747 CG LEU A 52 -9.340 -20.421 0.082 1.00 0.00 C ATOM 748 CD1 LEU A 52 -8.579 -21.647 0.560 1.00 0.00 C ATOM 749 CD2 LEU A 52 -9.253 -19.303 1.111 1.00 0.00 C ATOM 0 H LEU A 52 -7.984 -19.457 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.979 -21.806 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.714 -19.956 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.108 -18.912 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.388 -20.695 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.976 -21.969 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.692 -22.452 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.523 -21.401 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.639 -19.657 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.213 -18.999 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.844 -18.451 0.774 1.00 0.00 H new ATOM 761 N ASN A 53 -11.216 -19.598 -3.295 1.00 0.00 N ATOM 762 CA ASN A 53 -12.642 -19.391 -3.520 1.00 0.00 C ATOM 763 C ASN A 53 -13.232 -20.529 -4.348 1.00 0.00 C ATOM 764 O ASN A 53 -14.373 -20.939 -4.136 1.00 0.00 O ATOM 765 CB ASN A 53 -12.880 -18.055 -4.226 1.00 0.00 C ATOM 766 CG ASN A 53 -12.974 -16.896 -3.252 1.00 0.00 C ATOM 767 OD1 ASN A 53 -12.095 -16.703 -2.412 1.00 0.00 O ATOM 768 ND2 ASN A 53 -14.044 -16.117 -3.361 1.00 0.00 N ATOM 0 H ASN A 53 -10.619 -18.860 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.139 -19.375 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.069 -17.870 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.800 -18.113 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.162 -15.321 -2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.748 -16.314 -4.072 1.00 0.00 H new ATOM 775 N LYS A 54 -12.446 -21.034 -5.293 1.00 0.00 N ATOM 776 CA LYS A 54 -12.889 -22.126 -6.153 1.00 0.00 C ATOM 777 C LYS A 54 -12.917 -23.444 -5.387 1.00 0.00 C ATOM 778 O LYS A 54 -13.487 -24.432 -5.853 1.00 0.00 O ATOM 779 CB LYS A 54 -11.967 -22.250 -7.369 1.00 0.00 C ATOM 780 CG LYS A 54 -11.979 -21.025 -8.268 1.00 0.00 C ATOM 781 CD LYS A 54 -12.995 -21.166 -9.389 1.00 0.00 C ATOM 782 CE LYS A 54 -14.337 -20.562 -9.004 1.00 0.00 C ATOM 783 NZ LYS A 54 -15.389 -20.859 -10.015 1.00 0.00 N ATOM 0 H LYS A 54 -11.499 -20.705 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.900 -21.902 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.948 -22.428 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.264 -23.122 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.210 -20.140 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.986 -20.874 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.618 -20.676 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.126 -22.220 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.646 -20.951 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.232 -19.483 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.288 -20.430 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.107 -20.466 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.508 -21.889 -10.100 1.00 0.00 H new ATOM 797 N HIS A 55 -12.301 -23.453 -4.210 1.00 0.00 N ATOM 798 CA HIS A 55 -12.258 -24.651 -3.378 1.00 0.00 C ATOM 799 C HIS A 55 -13.504 -24.750 -2.503 1.00 0.00 C ATOM 800 O HIS A 55 -13.976 -25.846 -2.199 1.00 0.00 O ATOM 801 CB HIS A 55 -11.005 -24.645 -2.502 1.00 0.00 C ATOM 802 CG HIS A 55 -11.052 -25.638 -1.382 1.00 0.00 C ATOM 803 ND1 HIS A 55 -10.723 -26.967 -1.541 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.391 -25.489 -0.080 1.00 0.00 C ATOM 805 CE1 HIS A 55 -10.859 -27.593 -0.386 1.00 0.00 C ATOM 806 NE2 HIS A 55 -11.263 -26.718 0.518 1.00 0.00 N ATOM 0 H HIS A 55 -11.825 -22.645 -3.810 1.00 0.00 H new ATOM 0 HA HIS A 55 -12.228 -25.519 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.135 -24.853 -3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.867 -23.647 -2.086 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.422 -27.399 -2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.704 -24.573 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.672 -28.642 -0.210 1.00 0.00 H new ATOM 814 N LEU A 56 -14.031 -23.599 -2.101 1.00 0.00 N ATOM 815 CA LEU A 56 -15.223 -23.556 -1.260 1.00 0.00 C ATOM 816 C LEU A 56 -16.412 -24.196 -1.968 1.00 0.00 C ATOM 817 O LEU A 56 -17.353 -24.661 -1.325 1.00 0.00 O ATOM 818 CB LEU A 56 -15.555 -22.110 -0.886 1.00 0.00 C ATOM 819 CG LEU A 56 -14.462 -21.341 -0.142 1.00 0.00 C ATOM 820 CD1 LEU A 56 -14.764 -19.851 -0.141 1.00 0.00 C ATOM 821 CD2 LEU A 56 -14.320 -21.860 1.281 1.00 0.00 C ATOM 0 H LEU A 56 -13.652 -22.683 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.017 -24.122 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.797 -21.566 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.454 -22.113 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.516 -21.498 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.976 -19.320 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.814 -19.489 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.719 -19.674 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.538 -21.302 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.264 -21.734 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.056 -22.917 1.258 1.00 0.00 H new ATOM 833 N ARG A 57 -16.363 -24.217 -3.296 1.00 0.00 N ATOM 834 CA ARG A 57 -17.436 -24.801 -4.091 1.00 0.00 C ATOM 835 C ARG A 57 -17.484 -26.316 -3.911 1.00 0.00 C ATOM 836 O ARG A 57 -18.546 -26.887 -3.660 1.00 0.00 O ATOM 837 CB ARG A 57 -17.248 -24.459 -5.571 1.00 0.00 C ATOM 838 CG ARG A 57 -17.809 -23.101 -5.958 1.00 0.00 C ATOM 839 CD ARG A 57 -17.015 -21.969 -5.325 1.00 0.00 C ATOM 840 NE ARG A 57 -17.820 -20.762 -5.159 1.00 0.00 N ATOM 841 CZ ARG A 57 -17.310 -19.536 -5.131 1.00 0.00 C ATOM 842 NH1 ARG A 57 -16.002 -19.356 -5.258 1.00 0.00 N ATOM 843 NH2 ARG A 57 -18.108 -18.487 -4.977 1.00 0.00 N ATOM 0 H ARG A 57 -15.591 -23.836 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.380 -24.381 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.185 -24.485 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.729 -25.227 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.793 -22.995 -7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.851 -23.034 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.638 -22.290 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.147 -21.744 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.830 -20.866 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.386 -20.160 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.612 -18.414 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.114 -18.622 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.715 -17.546 -4.956 1.00 0.00 H new ATOM 857 N ILE A 58 -16.329 -26.959 -4.041 1.00 0.00 N ATOM 858 CA ILE A 58 -16.240 -28.406 -3.891 1.00 0.00 C ATOM 859 C ILE A 58 -17.043 -28.885 -2.687 1.00 0.00 C ATOM 860 O ILE A 58 -17.579 -29.993 -2.685 1.00 0.00 O ATOM 861 CB ILE A 58 -14.779 -28.867 -3.735 1.00 0.00 C ATOM 862 CG1 ILE A 58 -14.383 -28.889 -2.257 1.00 0.00 C ATOM 863 CG2 ILE A 58 -13.849 -27.957 -4.524 1.00 0.00 C ATOM 864 CD1 ILE A 58 -12.929 -29.236 -2.026 1.00 0.00 C ATOM 0 H ILE A 58 -15.442 -26.501 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 58 -16.656 -28.843 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 58 -14.689 -29.878 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.589 -27.912 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.008 -29.611 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.820 -28.296 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.120 -27.987 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.940 -26.935 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.720 -29.233 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.722 -30.226 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.296 -28.500 -2.522 1.00 0.00 H new ATOM 876 N HIS A 59 -17.125 -28.041 -1.663 1.00 0.00 N ATOM 877 CA HIS A 59 -17.866 -28.376 -0.452 1.00 0.00 C ATOM 878 C HIS A 59 -19.356 -28.516 -0.748 1.00 0.00 C ATOM 879 O HIS A 59 -19.956 -29.558 -0.486 1.00 0.00 O ATOM 880 CB HIS A 59 -17.644 -27.308 0.619 1.00 0.00 C ATOM 881 CG HIS A 59 -16.322 -27.420 1.313 1.00 0.00 C ATOM 882 ND1 HIS A 59 -15.850 -28.600 1.848 1.00 0.00 N ATOM 883 CD2 HIS A 59 -15.368 -26.491 1.555 1.00 0.00 C ATOM 884 CE1 HIS A 59 -14.664 -28.391 2.392 1.00 0.00 C ATOM 885 NE2 HIS A 59 -14.349 -27.119 2.227 1.00 0.00 N ATOM 0 H HIS A 59 -16.687 -27.120 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.496 -29.332 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -17.721 -26.323 0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.441 -27.377 1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.402 -25.449 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.056 -29.134 2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.488 -26.675 2.547 1.00 0.00 H new ATOM 955 N PRO A 64 -28.395 -21.892 -6.509 1.00 0.00 N ATOM 956 CA PRO A 64 -29.490 -22.136 -7.453 1.00 0.00 C ATOM 957 C PRO A 64 -29.850 -20.891 -8.256 1.00 0.00 C ATOM 958 O PRO A 64 -30.017 -20.952 -9.474 1.00 0.00 O ATOM 959 CB PRO A 64 -30.655 -22.544 -6.548 1.00 0.00 C ATOM 960 CG PRO A 64 -30.351 -21.915 -5.232 1.00 0.00 C ATOM 961 CD PRO A 64 -28.852 -21.915 -5.109 1.00 0.00 C ATOM 0 HA PRO A 64 -29.227 -22.888 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -31.607 -22.191 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -30.728 -23.628 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -30.746 -20.900 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -30.809 -22.475 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -28.494 -21.047 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -28.492 -22.799 -4.583 1.00 0.00 H new ATOM 969 N PHE A 65 -29.969 -19.761 -7.566 1.00 0.00 N ATOM 970 CA PHE A 65 -30.310 -18.501 -8.216 1.00 0.00 C ATOM 971 C PHE A 65 -29.076 -17.861 -8.843 1.00 0.00 C ATOM 972 O PHE A 65 -27.983 -17.905 -8.278 1.00 0.00 O ATOM 973 CB PHE A 65 -30.942 -17.538 -7.208 1.00 0.00 C ATOM 974 CG PHE A 65 -32.368 -17.869 -6.875 1.00 0.00 C ATOM 975 CD1 PHE A 65 -33.398 -17.480 -7.717 1.00 0.00 C ATOM 976 CD2 PHE A 65 -32.680 -18.570 -5.722 1.00 0.00 C ATOM 977 CE1 PHE A 65 -34.712 -17.783 -7.413 1.00 0.00 C ATOM 978 CE2 PHE A 65 -33.992 -18.876 -5.412 1.00 0.00 C ATOM 979 CZ PHE A 65 -35.009 -18.483 -6.260 1.00 0.00 C ATOM 0 H PHE A 65 -29.834 -19.692 -6.557 1.00 0.00 H new ATOM 0 HA PHE A 65 -31.029 -18.712 -9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -30.352 -17.546 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -30.896 -16.525 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.171 -16.934 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -31.888 -18.882 -5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.506 -17.473 -8.076 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -34.221 -19.421 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 65 -36.035 -18.723 -6.022 1.00 0.00 H new ATOM 989 N LYS A 66 -29.257 -17.265 -10.017 1.00 0.00 N ATOM 990 CA LYS A 66 -28.160 -16.614 -10.723 1.00 0.00 C ATOM 991 C LYS A 66 -28.665 -15.423 -11.532 1.00 0.00 C ATOM 992 O LYS A 66 -29.707 -15.499 -12.184 1.00 0.00 O ATOM 993 CB LYS A 66 -27.459 -17.612 -11.648 1.00 0.00 C ATOM 994 CG LYS A 66 -26.421 -18.468 -10.943 1.00 0.00 C ATOM 995 CD LYS A 66 -25.851 -19.529 -11.870 1.00 0.00 C ATOM 996 CE LYS A 66 -26.678 -20.804 -11.833 1.00 0.00 C ATOM 997 NZ LYS A 66 -27.783 -20.778 -12.830 1.00 0.00 N ATOM 0 H LYS A 66 -30.154 -17.220 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 66 -27.447 -16.252 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -28.207 -18.262 -12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -26.978 -17.066 -12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -25.615 -17.834 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -26.872 -18.947 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -25.819 -19.144 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -24.824 -19.752 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -26.033 -21.661 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -27.093 -20.939 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -27.854 -21.706 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -28.680 -20.562 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -27.589 -20.048 -13.544 1.00 0.00 H new ATOM 1011 N CYS A 67 -27.918 -14.325 -11.487 1.00 0.00 N ATOM 1012 CA CYS A 67 -28.288 -13.118 -12.216 1.00 0.00 C ATOM 1013 C CYS A 67 -28.058 -13.295 -13.714 1.00 0.00 C ATOM 1014 O CYS A 67 -27.317 -14.181 -14.137 1.00 0.00 O ATOM 1015 CB CYS A 67 -27.486 -11.920 -11.703 1.00 0.00 C ATOM 1016 SG CYS A 67 -27.891 -10.346 -12.525 1.00 0.00 S ATOM 0 H CYS A 67 -27.052 -14.246 -10.953 1.00 0.00 H new ATOM 0 HA CYS A 67 -29.349 -12.934 -12.049 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -27.658 -11.813 -10.632 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -26.424 -12.124 -11.836 1.00 0.00 H new ATOM 0 HG CYS A 67 -28.364 -9.509 -11.650 1.00 0.00 H new ATOM 1021 N GLN A 68 -28.698 -12.444 -14.510 1.00 0.00 N ATOM 1022 CA GLN A 68 -28.563 -12.507 -15.961 1.00 0.00 C ATOM 1023 C GLN A 68 -27.424 -11.613 -16.441 1.00 0.00 C ATOM 1024 O GLN A 68 -26.563 -12.046 -17.208 1.00 0.00 O ATOM 1025 CB GLN A 68 -29.872 -12.092 -16.635 1.00 0.00 C ATOM 1026 CG GLN A 68 -30.999 -13.094 -16.442 1.00 0.00 C ATOM 1027 CD GLN A 68 -32.246 -12.726 -17.222 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -32.841 -11.671 -17.003 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -32.648 -13.597 -18.140 1.00 0.00 N ATOM 0 H GLN A 68 -29.314 -11.704 -14.175 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.333 -13.537 -16.235 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -30.184 -11.126 -16.239 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -29.695 -11.958 -17.702 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -30.659 -14.082 -16.753 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -31.244 -13.160 -15.382 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.124 -14.460 -18.288 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -33.480 -13.403 -18.697 1.00 0.00 H new ATOM 1038 N ILE A 69 -27.426 -10.365 -15.984 1.00 0.00 N ATOM 1039 CA ILE A 69 -26.393 -9.411 -16.367 1.00 0.00 C ATOM 1040 C ILE A 69 -25.017 -9.874 -15.899 1.00 0.00 C ATOM 1041 O ILE A 69 -24.075 -9.952 -16.688 1.00 0.00 O ATOM 1042 CB ILE A 69 -26.676 -8.012 -15.788 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -28.028 -7.495 -16.285 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -25.562 -7.047 -16.165 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -29.190 -7.900 -15.406 1.00 0.00 C ATOM 0 H ILE A 69 -28.131 -9.991 -15.349 1.00 0.00 H new ATOM 0 HA ILE A 69 -26.404 -9.354 -17.455 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.713 -8.085 -14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.991 -6.407 -16.347 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -28.201 -7.866 -17.295 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -25.777 -6.063 -15.748 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -24.615 -7.411 -15.767 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -25.495 -6.975 -17.251 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -30.116 -7.499 -15.819 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -29.253 -8.987 -15.364 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -29.040 -7.506 -14.401 1.00 0.00 H new ATOM 1057 N CYS A 70 -24.908 -10.180 -14.611 1.00 0.00 N ATOM 1058 CA CYS A 70 -23.649 -10.637 -14.037 1.00 0.00 C ATOM 1059 C CYS A 70 -23.748 -12.095 -13.598 1.00 0.00 C ATOM 1060 O CYS A 70 -24.822 -12.599 -13.270 1.00 0.00 O ATOM 1061 CB CYS A 70 -23.259 -9.759 -12.845 1.00 0.00 C ATOM 1062 SG CYS A 70 -24.355 -9.938 -11.401 1.00 0.00 S ATOM 0 H CYS A 70 -25.678 -10.120 -13.944 1.00 0.00 H new ATOM 0 HA CYS A 70 -22.879 -10.559 -14.805 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -22.239 -10.002 -12.546 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -23.259 -8.716 -13.160 1.00 0.00 H new ATOM 0 HG CYS A 70 -25.588 -10.036 -11.801 1.00 0.00 H new ATOM 1067 N PRO A 71 -22.600 -12.790 -13.590 1.00 0.00 N ATOM 1068 CA PRO A 71 -22.531 -14.199 -13.193 1.00 0.00 C ATOM 1069 C PRO A 71 -22.772 -14.393 -11.700 1.00 0.00 C ATOM 1070 O PRO A 71 -22.668 -15.506 -11.183 1.00 0.00 O ATOM 1071 CB PRO A 71 -21.100 -14.601 -13.560 1.00 0.00 C ATOM 1072 CG PRO A 71 -20.328 -13.327 -13.525 1.00 0.00 C ATOM 1073 CD PRO A 71 -21.282 -12.253 -13.968 1.00 0.00 C ATOM 0 HA PRO A 71 -23.297 -14.799 -13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -20.699 -15.327 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.059 -15.062 -14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.952 -13.126 -12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -19.462 -13.377 -14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -21.077 -11.304 -13.472 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -21.214 -12.073 -15.041 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.096 -13.304 -11.011 1.00 0.00 N ATOM 1082 CA TYR A 72 -23.350 -13.354 -9.576 1.00 0.00 C ATOM 1083 C TYR A 72 -24.224 -14.553 -9.220 1.00 0.00 C ATOM 1084 O TYR A 72 -24.807 -15.192 -10.095 1.00 0.00 O ATOM 1085 CB TYR A 72 -24.024 -12.062 -9.111 1.00 0.00 C ATOM 1086 CG TYR A 72 -24.487 -12.105 -7.673 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -23.591 -11.919 -6.627 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -25.821 -12.333 -7.358 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -24.010 -11.958 -5.311 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -26.249 -12.372 -6.045 1.00 0.00 C ATOM 1091 CZ TYR A 72 -25.340 -12.184 -5.026 1.00 0.00 C ATOM 1092 OH TYR A 72 -25.762 -12.224 -3.717 1.00 0.00 O ATOM 0 H TYR A 72 -23.189 -12.376 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 72 -22.392 -13.460 -9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -23.327 -11.233 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -24.880 -11.857 -9.754 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -22.549 -11.741 -6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -26.536 -12.482 -8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -23.300 -11.812 -4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -27.290 -12.549 -5.818 1.00 0.00 H new ATOM 0 HH TYR A 72 -26.691 -11.917 -3.663 1.00 0.00 H new ATOM 1102 N ALA A 73 -24.309 -14.851 -7.927 1.00 0.00 N ATOM 1103 CA ALA A 73 -25.112 -15.971 -7.453 1.00 0.00 C ATOM 1104 C ALA A 73 -25.422 -15.833 -5.966 1.00 0.00 C ATOM 1105 O ALA A 73 -24.573 -15.412 -5.182 1.00 0.00 O ATOM 1106 CB ALA A 73 -24.398 -17.286 -7.725 1.00 0.00 C ATOM 0 H ALA A 73 -23.832 -14.332 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 73 -26.056 -15.964 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -25.010 -18.113 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -24.233 -17.396 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.439 -17.293 -7.208 1.00 0.00 H new ATOM 1112 N SER A 74 -26.645 -16.191 -5.586 1.00 0.00 N ATOM 1113 CA SER A 74 -27.068 -16.102 -4.193 1.00 0.00 C ATOM 1114 C SER A 74 -27.758 -17.390 -3.753 1.00 0.00 C ATOM 1115 O SER A 74 -28.350 -18.100 -4.566 1.00 0.00 O ATOM 1116 CB SER A 74 -28.011 -14.913 -4.000 1.00 0.00 C ATOM 1117 OG SER A 74 -29.186 -15.061 -4.778 1.00 0.00 O ATOM 0 H SER A 74 -27.359 -16.545 -6.222 1.00 0.00 H new ATOM 0 HA SER A 74 -26.181 -15.956 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.278 -14.824 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 74 -27.500 -13.991 -4.279 1.00 0.00 H new ATOM 0 HG SER A 74 -29.969 -15.069 -4.189 1.00 0.00 H new ATOM 1123 N ARG A 75 -27.677 -17.684 -2.459 1.00 0.00 N ATOM 1124 CA ARG A 75 -28.292 -18.886 -1.909 1.00 0.00 C ATOM 1125 C ARG A 75 -29.809 -18.737 -1.837 1.00 0.00 C ATOM 1126 O ARG A 75 -30.546 -19.709 -1.994 1.00 0.00 O ATOM 1127 CB ARG A 75 -27.731 -19.180 -0.517 1.00 0.00 C ATOM 1128 CG ARG A 75 -28.035 -18.095 0.504 1.00 0.00 C ATOM 1129 CD ARG A 75 -27.834 -18.596 1.926 1.00 0.00 C ATOM 1130 NE ARG A 75 -27.935 -17.517 2.905 1.00 0.00 N ATOM 1131 CZ ARG A 75 -27.511 -17.621 4.159 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -26.959 -18.749 4.585 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -27.638 -16.595 4.991 1.00 0.00 N ATOM 0 H ARG A 75 -27.192 -17.106 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 75 -28.057 -19.719 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -28.140 -20.126 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -26.651 -19.307 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -27.390 -17.235 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -29.063 -17.754 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -28.579 -19.360 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -26.856 -19.070 2.009 1.00 0.00 H new ATOM 0 HE ARG A 75 -28.354 -16.635 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.859 -19.540 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.634 -18.826 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -28.062 -15.725 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.312 -16.676 5.954 1.00 0.00 H new ATOM 1147 N ASN A 76 -30.267 -17.513 -1.599 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.696 -17.236 -1.505 1.00 0.00 C ATOM 1149 C ASN A 76 -32.139 -16.282 -2.610 1.00 0.00 C ATOM 1150 O ASN A 76 -31.316 -15.766 -3.365 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.033 -16.641 -0.136 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.261 -15.366 0.145 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -31.172 -14.480 -0.705 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -30.697 -15.268 1.344 1.00 0.00 N ATOM 0 H ASN A 76 -29.670 -16.697 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.232 -18.177 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -33.102 -16.434 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -31.813 -17.374 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -30.165 -14.434 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -30.797 -16.027 2.018 1.00 0.00 H new ATOM 1161 N SER A 77 -33.446 -16.054 -2.698 1.00 0.00 N ATOM 1162 CA SER A 77 -34.000 -15.165 -3.712 1.00 0.00 C ATOM 1163 C SER A 77 -33.940 -13.711 -3.252 1.00 0.00 C ATOM 1164 O SER A 77 -33.533 -12.826 -4.004 1.00 0.00 O ATOM 1165 CB SER A 77 -35.445 -15.553 -4.027 1.00 0.00 C ATOM 1166 OG SER A 77 -36.324 -15.124 -3.001 1.00 0.00 O ATOM 0 H SER A 77 -34.140 -16.473 -2.079 1.00 0.00 H new ATOM 0 HA SER A 77 -33.399 -15.267 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.745 -15.109 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.517 -16.634 -4.143 1.00 0.00 H new ATOM 0 HG SER A 77 -37.242 -15.383 -3.227 1.00 0.00 H new ATOM 1172 N SER A 78 -34.350 -13.473 -2.010 1.00 0.00 N ATOM 1173 CA SER A 78 -34.348 -12.127 -1.449 1.00 0.00 C ATOM 1174 C SER A 78 -33.122 -11.347 -1.914 1.00 0.00 C ATOM 1175 O SER A 78 -33.245 -10.293 -2.537 1.00 0.00 O ATOM 1176 CB SER A 78 -34.378 -12.189 0.079 1.00 0.00 C ATOM 1177 OG SER A 78 -35.604 -12.726 0.544 1.00 0.00 O ATOM 0 H SER A 78 -34.688 -14.195 -1.373 1.00 0.00 H new ATOM 0 HA SER A 78 -35.241 -11.611 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 78 -33.550 -12.801 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 78 -34.236 -11.189 0.489 1.00 0.00 H new ATOM 0 HG SER A 78 -35.597 -12.757 1.523 1.00 0.00 H new ATOM 1183 N GLN A 79 -31.942 -11.873 -1.606 1.00 0.00 N ATOM 1184 CA GLN A 79 -30.693 -11.226 -1.991 1.00 0.00 C ATOM 1185 C GLN A 79 -30.749 -10.756 -3.441 1.00 0.00 C ATOM 1186 O GLN A 79 -30.513 -9.583 -3.733 1.00 0.00 O ATOM 1187 CB GLN A 79 -29.516 -12.184 -1.798 1.00 0.00 C ATOM 1188 CG GLN A 79 -29.097 -12.348 -0.346 1.00 0.00 C ATOM 1189 CD GLN A 79 -28.870 -11.020 0.349 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -29.620 -10.642 1.250 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -27.832 -10.303 -0.067 1.00 0.00 N ATOM 0 H GLN A 79 -31.824 -12.745 -1.091 1.00 0.00 H new ATOM 0 HA GLN A 79 -30.552 -10.355 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -29.783 -13.160 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -28.665 -11.821 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -29.865 -12.907 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -28.182 -12.939 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -27.237 -10.655 -0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -27.630 -9.401 0.363 1.00 0.00 H new ATOM 1200 N LEU A 80 -31.061 -11.677 -4.345 1.00 0.00 N ATOM 1201 CA LEU A 80 -31.147 -11.357 -5.766 1.00 0.00 C ATOM 1202 C LEU A 80 -32.041 -10.144 -5.997 1.00 0.00 C ATOM 1203 O LEU A 80 -31.698 -9.242 -6.763 1.00 0.00 O ATOM 1204 CB LEU A 80 -31.684 -12.557 -6.547 1.00 0.00 C ATOM 1205 CG LEU A 80 -31.474 -12.521 -8.061 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -30.019 -12.801 -8.405 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -32.389 -13.522 -8.751 1.00 0.00 C ATOM 0 H LEU A 80 -31.259 -12.652 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.144 -11.119 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -31.213 -13.459 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -32.753 -12.644 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 80 -31.725 -11.523 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.889 -12.771 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.384 -12.046 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.740 -13.787 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -32.226 -13.482 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -32.170 -14.526 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -33.428 -13.276 -8.532 1.00 0.00 H new ATOM 1219 N THR A 81 -33.190 -10.125 -5.328 1.00 0.00 N ATOM 1220 CA THR A 81 -34.134 -9.022 -5.459 1.00 0.00 C ATOM 1221 C THR A 81 -33.438 -7.678 -5.272 1.00 0.00 C ATOM 1222 O THR A 81 -33.621 -6.757 -6.068 1.00 0.00 O ATOM 1223 CB THR A 81 -35.281 -9.140 -4.439 1.00 0.00 C ATOM 1224 OG1 THR A 81 -35.959 -10.390 -4.606 1.00 0.00 O ATOM 1225 CG2 THR A 81 -36.270 -7.995 -4.602 1.00 0.00 C ATOM 0 H THR A 81 -33.489 -10.862 -4.689 1.00 0.00 H new ATOM 0 HA THR A 81 -34.547 -9.077 -6.466 1.00 0.00 H new ATOM 0 HB THR A 81 -34.853 -9.090 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 81 -36.686 -10.458 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 81 -37.072 -8.100 -3.871 1.00 0.00 H new ATOM 0 HG22 THR A 81 -35.757 -7.046 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 81 -36.691 -8.018 -5.607 1.00 0.00 H new ATOM 1233 N VAL A 82 -32.639 -7.573 -4.215 1.00 0.00 N ATOM 1234 CA VAL A 82 -31.914 -6.342 -3.925 1.00 0.00 C ATOM 1235 C VAL A 82 -30.735 -6.161 -4.875 1.00 0.00 C ATOM 1236 O VAL A 82 -30.642 -5.157 -5.582 1.00 0.00 O ATOM 1237 CB VAL A 82 -31.397 -6.324 -2.474 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -30.590 -5.062 -2.210 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -32.555 -6.441 -1.495 1.00 0.00 C ATOM 0 H VAL A 82 -32.478 -8.325 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 82 -32.617 -5.521 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 82 -30.741 -7.182 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.233 -5.067 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.738 -5.026 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -31.220 -4.187 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -32.172 -6.427 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -33.238 -5.604 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -33.086 -7.377 -1.670 1.00 0.00 H new ATOM 1249 N HIS A 83 -29.836 -7.140 -4.887 1.00 0.00 N ATOM 1250 CA HIS A 83 -28.662 -7.089 -5.751 1.00 0.00 C ATOM 1251 C HIS A 83 -29.005 -6.453 -7.095 1.00 0.00 C ATOM 1252 O HIS A 83 -28.288 -5.575 -7.579 1.00 0.00 O ATOM 1253 CB HIS A 83 -28.101 -8.495 -5.968 1.00 0.00 C ATOM 1254 CG HIS A 83 -27.390 -8.661 -7.276 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -27.869 -8.896 -8.520 1.00 0.00 N flip ATOM 1256 CD2 HIS A 83 -26.019 -8.592 -7.401 1.00 0.00 C flip ATOM 1257 CE1 HIS A 83 -26.789 -8.963 -9.366 1.00 0.00 C flip ATOM 1258 NE2 HIS A 83 -25.685 -8.776 -8.666 1.00 0.00 N flip ATOM 0 H HIS A 83 -29.898 -7.978 -4.309 1.00 0.00 H new ATOM 0 HA HIS A 83 -27.906 -6.476 -5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -27.412 -8.732 -5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -28.917 -9.215 -5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -25.326 -8.415 -6.592 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -26.835 -9.140 -10.430 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -24.736 -8.774 -9.039 1.00 0.00 H new ATOM 1266 N LEU A 84 -30.103 -6.900 -7.694 1.00 0.00 N ATOM 1267 CA LEU A 84 -30.540 -6.375 -8.982 1.00 0.00 C ATOM 1268 C LEU A 84 -30.461 -4.852 -9.005 1.00 0.00 C ATOM 1269 O LEU A 84 -29.916 -4.263 -9.938 1.00 0.00 O ATOM 1270 CB LEU A 84 -31.971 -6.827 -9.281 1.00 0.00 C ATOM 1271 CG LEU A 84 -32.152 -8.311 -9.603 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -33.561 -8.764 -9.253 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -31.853 -8.578 -11.071 1.00 0.00 C ATOM 0 H LEU A 84 -30.707 -7.625 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 84 -29.874 -6.767 -9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -32.595 -6.583 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -32.347 -6.245 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 84 -31.448 -8.883 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -33.672 -9.822 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -33.739 -8.609 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -34.283 -8.186 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -31.987 -9.639 -11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -32.533 -7.996 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -30.825 -8.291 -11.291 1.00 0.00 H new ATOM 1285 N ARG A 85 -31.006 -4.221 -7.970 1.00 0.00 N ATOM 1286 CA ARG A 85 -30.996 -2.766 -7.871 1.00 0.00 C ATOM 1287 C ARG A 85 -29.685 -2.194 -8.402 1.00 0.00 C ATOM 1288 O ARG A 85 -29.651 -1.085 -8.935 1.00 0.00 O ATOM 1289 CB ARG A 85 -31.203 -2.332 -6.419 1.00 0.00 C ATOM 1290 CG ARG A 85 -32.629 -2.517 -5.925 1.00 0.00 C ATOM 1291 CD ARG A 85 -32.897 -1.694 -4.675 1.00 0.00 C ATOM 1292 NE ARG A 85 -34.318 -1.659 -4.337 1.00 0.00 N ATOM 1293 CZ ARG A 85 -35.195 -0.857 -4.931 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -34.799 -0.029 -5.888 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -36.471 -0.883 -4.569 1.00 0.00 N ATOM 0 H ARG A 85 -31.460 -4.694 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 85 -31.814 -2.379 -8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -30.529 -2.901 -5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -30.926 -1.282 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -33.328 -2.227 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -32.808 -3.571 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -32.336 -2.111 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -32.535 -0.677 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 85 -34.655 -2.284 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -33.819 -0.007 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -35.474 0.586 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -36.780 -1.519 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -37.143 -0.267 -5.026 1.00 0.00 H new ATOM 1309 N SER A 86 -28.608 -2.958 -8.251 1.00 0.00 N ATOM 1310 CA SER A 86 -27.293 -2.526 -8.712 1.00 0.00 C ATOM 1311 C SER A 86 -27.329 -2.160 -10.193 1.00 0.00 C ATOM 1312 O SER A 86 -26.878 -1.085 -10.590 1.00 0.00 O ATOM 1313 CB SER A 86 -26.258 -3.626 -8.472 1.00 0.00 C ATOM 1314 OG SER A 86 -24.948 -3.089 -8.406 1.00 0.00 O ATOM 0 H SER A 86 -28.620 -3.879 -7.813 1.00 0.00 H new ATOM 0 HA SER A 86 -27.010 -1.640 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.487 -4.149 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 86 -26.313 -4.362 -9.274 1.00 0.00 H new ATOM 0 HG SER A 86 -24.305 -3.812 -8.250 1.00 0.00 H new ATOM 1320 N HIS A 87 -27.869 -3.063 -11.005 1.00 0.00 N ATOM 1321 CA HIS A 87 -27.966 -2.837 -12.443 1.00 0.00 C ATOM 1322 C HIS A 87 -29.039 -1.800 -12.759 1.00 0.00 C ATOM 1323 O HIS A 87 -30.200 -2.142 -12.990 1.00 0.00 O ATOM 1324 CB HIS A 87 -28.276 -4.147 -13.167 1.00 0.00 C ATOM 1325 CG HIS A 87 -27.353 -5.268 -12.800 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -25.984 -5.191 -12.939 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -27.611 -6.497 -12.295 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -25.438 -6.325 -12.536 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -26.404 -7.134 -12.140 1.00 0.00 N ATOM 0 H HIS A 87 -28.246 -3.958 -10.692 1.00 0.00 H new ATOM 0 HA HIS A 87 -27.006 -2.457 -12.792 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -29.301 -4.443 -12.942 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -28.221 -3.980 -14.243 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -25.472 -4.385 -13.297 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -28.584 -6.901 -12.058 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -24.382 -6.552 -12.531 1.00 0.00 H new