USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 60 CYS SG : rot -148:sc= 0.758 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=-1.6,f=-1.7) USER MOD Set 1.3: A 67 CYS SG : rot 149:sc= -0.316 USER MOD Set 1.4: A 79 HIS : no HD1:sc= -1.78 X(o=-1.6,f=-2) USER MOD Set 1.5: A 83 CYS SG : rot 144:sc= -0.302 USER MOD Set 1.6: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 CYS SG : rot 90:sc= -0.484 USER MOD Set 2.2: A 37 CYS SG : rot -114:sc= -0.0153 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -9.39! C(o=-11!,f=-9.9!) USER MOD Set 2.4: A 53 CYS SG : rot 143:sc= -0.755 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -0.986 X(o=-6.6,f=-6.3) USER MOD Set 3.2: A 9 HIS : no HD1:sc= -4.52! K(o=-6.6!,f=-5.7) USER MOD Set 3.3: A 10 CYS SG : rot 132:sc= 0.201 USER MOD Set 3.4: A 13 CYS SG : rot -158:sc= 0.0105 USER MOD Set 3.5: A 18 CYS SG : rot -51:sc= 0.281 USER MOD Set 3.6: A 20 THR OG1 : rot 96:sc= 0 USER MOD Set 3.7: A 28 CYS SG : rot -50:sc= -0.0351 USER MOD Set 3.8: A 42 HIS : no HE2:sc= -0.943 K(o=-6.6,f=-11!) USER MOD Set 3.9: A 43 SER OG : rot -53:sc= 0.25 USER MOD Set 3.10: A 44 CYS SG : rot -113:sc= -0.836! USER MOD Single : A 6 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.84) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.059) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.0263 (180deg=-0.0263) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0714 USER MOD Single : A 70 THR OG1 : rot 43:sc= 0.0142 USER MOD Single : A 71 MET CE :methyl -173:sc= -2.08 (180deg=-2.26) USER MOD Single : A 74 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -13.654 10.304 6.505 1.00 0.00 N ATOM 148 CA GLN A 6 -13.747 8.964 7.072 1.00 0.00 C ATOM 149 C GLN A 6 -15.184 8.456 7.036 1.00 0.00 C ATOM 150 O GLN A 6 -16.104 9.190 6.673 1.00 0.00 O ATOM 151 CB GLN A 6 -13.228 8.959 8.511 1.00 0.00 C ATOM 152 CG GLN A 6 -14.016 9.862 9.445 1.00 0.00 C ATOM 153 CD GLN A 6 -13.569 9.741 10.889 1.00 0.00 C ATOM 154 OE1 GLN A 6 -12.387 9.895 11.199 1.00 0.00 O ATOM 155 NE2 GLN A 6 -14.513 9.465 11.781 1.00 0.00 N ATOM 0 HA GLN A 6 -13.130 8.298 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.257 7.939 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.184 9.271 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.908 10.897 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.075 9.615 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.480 9.345 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.271 9.373 12.768 1.00 0.00 H new ATOM 164 N HIS A 7 -15.371 7.195 7.414 1.00 0.00 N ATOM 165 CA HIS A 7 -16.698 6.589 7.425 1.00 0.00 C ATOM 166 C HIS A 7 -17.087 6.158 8.836 1.00 0.00 C ATOM 167 O HIS A 7 -16.374 5.388 9.479 1.00 0.00 O ATOM 168 CB HIS A 7 -16.740 5.386 6.482 1.00 0.00 C ATOM 169 CG HIS A 7 -16.804 5.762 5.034 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.108 5.091 4.050 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.489 6.745 4.404 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.361 5.646 2.879 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.197 6.652 3.065 1.00 0.00 N ATOM 0 H HIS A 7 -14.621 6.573 7.716 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.414 7.336 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -15.856 4.772 6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.606 4.772 6.728 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.143 7.468 4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.954 5.331 1.930 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.565 7.260 2.334 1.00 0.00 H new ATOM 181 N SER A 8 -18.222 6.661 9.311 1.00 0.00 N ATOM 182 CA SER A 8 -18.703 6.332 10.648 1.00 0.00 C ATOM 183 C SER A 8 -18.668 4.825 10.882 1.00 0.00 C ATOM 184 O SER A 8 -18.430 4.364 11.998 1.00 0.00 O ATOM 185 CB SER A 8 -20.126 6.858 10.844 1.00 0.00 C ATOM 186 OG SER A 8 -20.152 8.274 10.837 1.00 0.00 O ATOM 0 H SER A 8 -18.825 7.298 8.790 1.00 0.00 H new ATOM 0 HA SER A 8 -18.044 6.810 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.771 6.476 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.527 6.489 11.788 1.00 0.00 H new ATOM 0 HG SER A 8 -21.073 8.585 10.962 1.00 0.00 H new ATOM 192 N HIS A 9 -18.908 4.062 9.820 1.00 0.00 N ATOM 193 CA HIS A 9 -18.904 2.606 9.908 1.00 0.00 C ATOM 194 C HIS A 9 -17.479 2.064 9.877 1.00 0.00 C ATOM 195 O HIS A 9 -16.980 1.541 10.874 1.00 0.00 O ATOM 196 CB HIS A 9 -19.718 2.002 8.763 1.00 0.00 C ATOM 197 CG HIS A 9 -19.455 0.544 8.546 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.206 -0.452 9.135 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.519 -0.086 7.798 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.742 -1.630 8.759 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.719 -1.436 7.947 1.00 0.00 N ATOM 0 H HIS A 9 -19.108 4.428 8.889 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.361 2.323 10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.779 2.145 8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.495 2.544 7.844 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.757 0.386 7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.133 -2.589 9.064 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.167 -2.170 7.503 1.00 0.00 H new ATOM 209 N CYS A 10 -16.828 2.190 8.725 1.00 0.00 N ATOM 210 CA CYS A 10 -15.460 1.712 8.563 1.00 0.00 C ATOM 211 C CYS A 10 -14.615 2.056 9.786 1.00 0.00 C ATOM 212 O CYS A 10 -13.972 1.187 10.374 1.00 0.00 O ATOM 213 CB CYS A 10 -14.831 2.320 7.307 1.00 0.00 C ATOM 214 SG CYS A 10 -15.811 2.072 5.791 1.00 0.00 S ATOM 0 H CYS A 10 -17.226 2.619 7.890 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.490 0.627 8.458 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.690 3.389 7.465 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.842 1.886 7.162 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.916 3.200 5.153 1.00 0.00 H new ATOM 219 N VAL A 11 -14.621 3.331 10.163 1.00 0.00 N ATOM 220 CA VAL A 11 -13.856 3.791 11.316 1.00 0.00 C ATOM 221 C VAL A 11 -13.994 2.825 12.487 1.00 0.00 C ATOM 222 O VAL A 11 -13.022 2.535 13.183 1.00 0.00 O ATOM 223 CB VAL A 11 -14.307 5.193 11.766 1.00 0.00 C ATOM 224 CG1 VAL A 11 -13.919 6.237 10.730 1.00 0.00 C ATOM 225 CG2 VAL A 11 -15.807 5.214 12.020 1.00 0.00 C ATOM 0 H VAL A 11 -15.147 4.064 9.687 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.812 3.836 11.006 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.800 5.436 12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.246 7.221 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.837 6.238 10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.396 6.001 9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.108 6.212 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.335 4.950 11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.054 4.495 12.801 1.00 0.00 H new ATOM 235 N ASN A 12 -15.208 2.328 12.698 1.00 0.00 N ATOM 236 CA ASN A 12 -15.474 1.394 13.786 1.00 0.00 C ATOM 237 C ASN A 12 -15.693 -0.018 13.249 1.00 0.00 C ATOM 238 O ASN A 12 -16.535 -0.762 13.753 1.00 0.00 O ATOM 239 CB ASN A 12 -16.699 1.843 14.585 1.00 0.00 C ATOM 240 CG ASN A 12 -16.439 3.109 15.379 1.00 0.00 C ATOM 241 OD1 ASN A 12 -17.115 4.121 15.195 1.00 0.00 O ATOM 242 ND2 ASN A 12 -15.454 3.057 16.268 1.00 0.00 N ATOM 0 H ASN A 12 -16.024 2.556 12.130 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.604 1.384 14.443 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.533 2.010 13.903 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.998 1.046 15.265 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.232 3.878 16.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.919 2.196 16.387 1.00 0.00 H new ATOM 249 N CYS A 13 -14.929 -0.380 12.224 1.00 0.00 N ATOM 250 CA CYS A 13 -15.038 -1.701 11.618 1.00 0.00 C ATOM 251 C CYS A 13 -13.668 -2.365 11.511 1.00 0.00 C ATOM 252 O CYS A 13 -12.693 -1.739 11.096 1.00 0.00 O ATOM 253 CB CYS A 13 -15.676 -1.599 10.232 1.00 0.00 C ATOM 254 SG CYS A 13 -16.085 -3.207 9.480 1.00 0.00 S ATOM 0 H CYS A 13 -14.227 0.224 11.796 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.672 -2.315 12.258 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.586 -1.003 10.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.996 -1.063 9.570 1.00 0.00 H new ATOM 0 HG CYS A 13 -16.168 -3.074 8.190 1.00 0.00 H new ATOM 259 N VAL A 14 -13.602 -3.638 11.889 1.00 0.00 N ATOM 260 CA VAL A 14 -12.353 -4.389 11.835 1.00 0.00 C ATOM 261 C VAL A 14 -12.541 -5.716 11.109 1.00 0.00 C ATOM 262 O VAL A 14 -11.674 -6.147 10.348 1.00 0.00 O ATOM 263 CB VAL A 14 -11.800 -4.661 13.246 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.434 -3.357 13.937 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.810 -5.446 14.071 1.00 0.00 C ATOM 0 H VAL A 14 -14.399 -4.171 12.236 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.638 -3.776 11.286 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.895 -5.261 13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.045 -3.570 14.933 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.674 -2.837 13.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.320 -2.728 14.020 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.403 -5.630 15.065 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.733 -4.873 14.157 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.018 -6.398 13.582 1.00 0.00 H new ATOM 275 N SER A 15 -13.679 -6.360 11.349 1.00 0.00 N ATOM 276 CA SER A 15 -13.979 -7.641 10.721 1.00 0.00 C ATOM 277 C SER A 15 -13.633 -7.612 9.235 1.00 0.00 C ATOM 278 O SER A 15 -13.995 -6.677 8.520 1.00 0.00 O ATOM 279 CB SER A 15 -15.457 -7.989 10.905 1.00 0.00 C ATOM 280 OG SER A 15 -15.664 -9.389 10.837 1.00 0.00 O ATOM 0 H SER A 15 -14.408 -6.015 11.974 1.00 0.00 H new ATOM 0 HA SER A 15 -13.370 -8.406 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.805 -7.613 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.049 -7.493 10.136 1.00 0.00 H new ATOM 0 HG SER A 15 -16.616 -9.585 10.959 1.00 0.00 H new ATOM 286 N ARG A 16 -12.930 -8.643 8.777 1.00 0.00 N ATOM 287 CA ARG A 16 -12.534 -8.736 7.377 1.00 0.00 C ATOM 288 C ARG A 16 -13.712 -9.159 6.505 1.00 0.00 C ATOM 289 O ARG A 16 -13.903 -8.636 5.407 1.00 0.00 O ATOM 290 CB ARG A 16 -11.383 -9.732 7.216 1.00 0.00 C ATOM 291 CG ARG A 16 -10.012 -9.122 7.457 1.00 0.00 C ATOM 292 CD ARG A 16 -8.915 -10.174 7.391 1.00 0.00 C ATOM 293 NE ARG A 16 -9.091 -11.212 8.402 1.00 0.00 N ATOM 294 CZ ARG A 16 -8.225 -12.199 8.601 1.00 0.00 C ATOM 295 NH1 ARG A 16 -7.128 -12.282 7.861 1.00 0.00 N ATOM 296 NH2 ARG A 16 -8.455 -13.107 9.541 1.00 0.00 N ATOM 0 H ARG A 16 -12.623 -9.425 9.355 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.201 -7.750 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.530 -10.560 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.414 -10.150 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.821 -8.348 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.995 -8.637 8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.909 -10.630 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.945 -9.696 7.528 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.925 -11.177 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.948 -11.587 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.465 -13.041 8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.298 -13.048 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.789 -13.864 9.692 1.00 0.00 H new ATOM 310 N ARG A 17 -14.499 -10.108 7.002 1.00 0.00 N ATOM 311 CA ARG A 17 -15.657 -10.601 6.268 1.00 0.00 C ATOM 312 C ARG A 17 -16.880 -9.727 6.530 1.00 0.00 C ATOM 313 O ARG A 17 -17.984 -10.231 6.738 1.00 0.00 O ATOM 314 CB ARG A 17 -15.958 -12.049 6.661 1.00 0.00 C ATOM 315 CG ARG A 17 -15.253 -13.076 5.790 1.00 0.00 C ATOM 316 CD ARG A 17 -13.742 -12.914 5.850 1.00 0.00 C ATOM 317 NE ARG A 17 -13.258 -11.935 4.880 1.00 0.00 N ATOM 318 CZ ARG A 17 -13.334 -12.104 3.565 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.872 -13.208 3.065 1.00 0.00 N ATOM 320 NH2 ARG A 17 -12.872 -11.168 2.746 1.00 0.00 N ATOM 0 H ARG A 17 -14.355 -10.550 7.910 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.425 -10.561 5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.665 -12.203 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.034 -12.215 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.526 -14.080 6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.590 -12.973 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.450 -12.605 6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.266 -13.877 5.662 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.839 -11.074 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.229 -13.930 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.929 -13.335 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.458 -10.317 3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.931 -11.299 1.736 1.00 0.00 H new ATOM 334 N CYS A 18 -16.676 -8.414 6.519 1.00 0.00 N ATOM 335 CA CYS A 18 -17.760 -7.469 6.756 1.00 0.00 C ATOM 336 C CYS A 18 -18.611 -7.292 5.502 1.00 0.00 C ATOM 337 O CYS A 18 -18.184 -6.664 4.533 1.00 0.00 O ATOM 338 CB CYS A 18 -17.198 -6.117 7.199 1.00 0.00 C ATOM 339 SG CYS A 18 -18.252 -4.695 6.767 1.00 0.00 S ATOM 0 H CYS A 18 -15.769 -7.980 6.348 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.391 -7.870 7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -17.052 -6.133 8.279 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.216 -5.978 6.747 1.00 0.00 H new ATOM 0 HG CYS A 18 -18.566 -4.754 5.507 1.00 0.00 H new ATOM 344 N MET A 19 -19.817 -7.848 5.528 1.00 0.00 N ATOM 345 CA MET A 19 -20.729 -7.750 4.394 1.00 0.00 C ATOM 346 C MET A 19 -21.822 -6.721 4.663 1.00 0.00 C ATOM 347 O MET A 19 -22.997 -6.958 4.378 1.00 0.00 O ATOM 348 CB MET A 19 -21.357 -9.114 4.099 1.00 0.00 C ATOM 349 CG MET A 19 -20.394 -10.101 3.461 1.00 0.00 C ATOM 350 SD MET A 19 -21.161 -11.697 3.118 1.00 0.00 S ATOM 351 CE MET A 19 -20.369 -12.725 4.353 1.00 0.00 C ATOM 0 H MET A 19 -20.186 -8.371 6.322 1.00 0.00 H new ATOM 0 HA MET A 19 -20.156 -7.426 3.525 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.737 -9.539 5.028 1.00 0.00 H new ATOM 0 HB3 MET A 19 -22.213 -8.976 3.439 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.010 -9.679 2.532 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.539 -10.247 4.121 1.00 0.00 H new ATOM 0 HE1 MET A 19 -20.740 -13.746 4.269 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.290 -12.717 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 19 -20.594 -12.338 5.347 1.00 0.00 H new ATOM 361 N THR A 20 -21.429 -5.577 5.214 1.00 0.00 N ATOM 362 CA THR A 20 -22.376 -4.512 5.523 1.00 0.00 C ATOM 363 C THR A 20 -22.660 -3.656 4.294 1.00 0.00 C ATOM 364 O THR A 20 -21.754 -3.042 3.731 1.00 0.00 O ATOM 365 CB THR A 20 -21.854 -3.608 6.655 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.735 -4.360 7.868 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.786 -2.425 6.876 1.00 0.00 C ATOM 0 H THR A 20 -20.461 -5.364 5.456 1.00 0.00 H new ATOM 0 HA THR A 20 -23.298 -4.993 5.848 1.00 0.00 H new ATOM 0 HB THR A 20 -20.874 -3.230 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.814 -4.681 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.397 -1.801 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.852 -1.838 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.777 -2.788 7.146 1.00 0.00 H new ATOM 375 N ARG A 21 -23.924 -3.620 3.883 1.00 0.00 N ATOM 376 CA ARG A 21 -24.327 -2.839 2.720 1.00 0.00 C ATOM 377 C ARG A 21 -23.555 -1.524 2.655 1.00 0.00 C ATOM 378 O ARG A 21 -23.651 -0.674 3.541 1.00 0.00 O ATOM 379 CB ARG A 21 -25.830 -2.559 2.763 1.00 0.00 C ATOM 380 CG ARG A 21 -26.395 -2.059 1.444 1.00 0.00 C ATOM 381 CD ARG A 21 -27.914 -2.009 1.471 1.00 0.00 C ATOM 382 NE ARG A 21 -28.411 -0.869 2.237 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.504 0.362 1.747 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.137 0.611 0.497 1.00 0.00 N ATOM 385 NH2 ARG A 21 -28.966 1.347 2.506 1.00 0.00 N ATOM 0 H ARG A 21 -24.686 -4.123 4.338 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.098 -3.420 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.353 -3.471 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.031 -1.820 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.001 -1.065 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.066 -2.712 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.293 -1.953 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.299 -2.932 1.904 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.703 -1.027 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -27.782 -0.144 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -28.209 1.557 0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.250 1.160 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.037 2.292 2.128 1.00 0.00 H new ATOM 399 N PRO A 22 -22.771 -1.350 1.580 1.00 0.00 N ATOM 400 CA PRO A 22 -21.968 -0.142 1.373 1.00 0.00 C ATOM 401 C PRO A 22 -22.827 1.079 1.065 1.00 0.00 C ATOM 402 O PRO A 22 -23.343 1.222 -0.044 1.00 0.00 O ATOM 403 CB PRO A 22 -21.094 -0.499 0.168 1.00 0.00 C ATOM 404 CG PRO A 22 -21.866 -1.541 -0.564 1.00 0.00 C ATOM 405 CD PRO A 22 -22.608 -2.321 0.485 1.00 0.00 C ATOM 0 HA PRO A 22 -21.400 0.128 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.911 0.373 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.121 -0.875 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.557 -1.087 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.202 -2.189 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.570 -2.676 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.046 -3.198 0.806 1.00 0.00 H new ATOM 413 N GLU A 23 -22.976 1.957 2.052 1.00 0.00 N ATOM 414 CA GLU A 23 -23.774 3.166 1.884 1.00 0.00 C ATOM 415 C GLU A 23 -22.879 4.385 1.678 1.00 0.00 C ATOM 416 O GLU A 23 -21.826 4.525 2.300 1.00 0.00 O ATOM 417 CB GLU A 23 -24.676 3.382 3.101 1.00 0.00 C ATOM 418 CG GLU A 23 -24.906 4.846 3.436 1.00 0.00 C ATOM 419 CD GLU A 23 -26.252 5.090 4.090 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.563 4.399 5.083 1.00 0.00 O ATOM 421 OE2 GLU A 23 -26.995 5.972 3.609 1.00 0.00 O ATOM 0 H GLU A 23 -22.555 1.854 2.975 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.396 3.039 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -25.639 2.904 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.232 2.886 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -24.115 5.191 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -24.837 5.439 2.524 1.00 0.00 H new ATOM 428 N PRO A 24 -23.306 5.288 0.784 1.00 0.00 N ATOM 429 CA PRO A 24 -22.559 6.511 0.475 1.00 0.00 C ATOM 430 C PRO A 24 -22.571 7.505 1.631 1.00 0.00 C ATOM 431 O PRO A 24 -23.437 8.375 1.706 1.00 0.00 O ATOM 432 CB PRO A 24 -23.304 7.086 -0.732 1.00 0.00 C ATOM 433 CG PRO A 24 -24.688 6.549 -0.615 1.00 0.00 C ATOM 434 CD PRO A 24 -24.552 5.186 0.006 1.00 0.00 C ATOM 0 HA PRO A 24 -21.505 6.308 0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.300 8.176 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -22.838 6.778 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.308 7.199 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -25.166 6.487 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.404 4.947 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -24.490 4.404 -0.751 1.00 0.00 H new ATOM 442 N GLY A 25 -21.601 7.370 2.532 1.00 0.00 N ATOM 443 CA GLY A 25 -21.519 8.264 3.672 1.00 0.00 C ATOM 444 C GLY A 25 -21.316 7.521 4.977 1.00 0.00 C ATOM 445 O GLY A 25 -20.608 7.996 5.866 1.00 0.00 O ATOM 0 H GLY A 25 -20.872 6.658 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.696 8.963 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.432 8.856 3.732 1.00 0.00 H new ATOM 449 N ILE A 26 -21.939 6.353 5.095 1.00 0.00 N ATOM 450 CA ILE A 26 -21.824 5.544 6.301 1.00 0.00 C ATOM 451 C ILE A 26 -20.702 4.519 6.171 1.00 0.00 C ATOM 452 O ILE A 26 -19.764 4.505 6.967 1.00 0.00 O ATOM 453 CB ILE A 26 -23.141 4.810 6.615 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.197 5.801 7.109 1.00 0.00 C ATOM 455 CG2 ILE A 26 -22.906 3.719 7.649 1.00 0.00 C ATOM 456 CD1 ILE A 26 -24.395 6.983 6.187 1.00 0.00 C ATOM 0 H ILE A 26 -22.529 5.946 4.369 1.00 0.00 H new ATOM 0 HA ILE A 26 -21.595 6.228 7.118 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.507 4.344 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.147 5.279 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -23.909 6.164 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -23.846 3.209 7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.183 3.001 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.520 4.164 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.158 7.643 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.457 7.529 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -24.714 6.630 5.206 1.00 0.00 H new ATOM 468 N SER A 27 -20.806 3.662 5.160 1.00 0.00 N ATOM 469 CA SER A 27 -19.801 2.632 4.925 1.00 0.00 C ATOM 470 C SER A 27 -19.582 2.417 3.431 1.00 0.00 C ATOM 471 O SER A 27 -20.502 2.573 2.627 1.00 0.00 O ATOM 472 CB SER A 27 -20.225 1.317 5.583 1.00 0.00 C ATOM 473 OG SER A 27 -21.189 0.640 4.796 1.00 0.00 O ATOM 0 H SER A 27 -21.576 3.661 4.491 1.00 0.00 H new ATOM 0 HA SER A 27 -18.863 2.967 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.352 0.679 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.635 1.518 6.573 1.00 0.00 H new ATOM 0 HG SER A 27 -21.442 -0.198 5.238 1.00 0.00 H new ATOM 479 N CYS A 28 -18.355 2.060 3.065 1.00 0.00 N ATOM 480 CA CYS A 28 -18.012 1.824 1.668 1.00 0.00 C ATOM 481 C CYS A 28 -17.746 0.343 1.415 1.00 0.00 C ATOM 482 O CYS A 28 -17.551 -0.432 2.352 1.00 0.00 O ATOM 483 CB CYS A 28 -16.783 2.647 1.277 1.00 0.00 C ATOM 484 SG CYS A 28 -15.268 2.198 2.183 1.00 0.00 S ATOM 0 H CYS A 28 -17.582 1.928 3.717 1.00 0.00 H new ATOM 0 HA CYS A 28 -18.859 2.133 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -16.604 2.527 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -16.996 3.702 1.448 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.518 2.170 3.459 1.00 0.00 H new ATOM 489 N ASP A 29 -17.741 -0.044 0.144 1.00 0.00 N ATOM 490 CA ASP A 29 -17.498 -1.431 -0.232 1.00 0.00 C ATOM 491 C ASP A 29 -16.100 -1.872 0.189 1.00 0.00 C ATOM 492 O ASP A 29 -15.197 -1.048 0.342 1.00 0.00 O ATOM 493 CB ASP A 29 -17.669 -1.610 -1.742 1.00 0.00 C ATOM 494 CG ASP A 29 -18.877 -0.868 -2.279 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.931 0.370 -2.124 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.768 -1.526 -2.856 1.00 0.00 O ATOM 0 H ASP A 29 -17.903 0.584 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.227 -2.054 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.773 -1.256 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.767 -2.671 -1.971 1.00 0.00 H new ATOM 501 N LEU A 30 -15.928 -3.176 0.378 1.00 0.00 N ATOM 502 CA LEU A 30 -14.640 -3.727 0.783 1.00 0.00 C ATOM 503 C LEU A 30 -13.806 -4.115 -0.434 1.00 0.00 C ATOM 504 O LEU A 30 -14.340 -4.580 -1.441 1.00 0.00 O ATOM 505 CB LEU A 30 -14.845 -4.946 1.684 1.00 0.00 C ATOM 506 CG LEU A 30 -15.054 -4.654 3.171 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.686 -5.850 3.866 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.734 -4.286 3.833 1.00 0.00 C ATOM 0 H LEU A 30 -16.665 -3.871 0.257 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.103 -2.958 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.708 -5.502 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.978 -5.599 1.581 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.732 -3.806 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.827 -5.624 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.652 -6.068 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.033 -6.717 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.902 -4.082 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.032 -5.114 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.321 -3.399 3.353 1.00 0.00 H new ATOM 520 N ILE A 31 -12.495 -3.922 -0.332 1.00 0.00 N ATOM 521 CA ILE A 31 -11.588 -4.255 -1.424 1.00 0.00 C ATOM 522 C ILE A 31 -10.309 -4.898 -0.898 1.00 0.00 C ATOM 523 O ILE A 31 -9.737 -4.448 0.093 1.00 0.00 O ATOM 524 CB ILE A 31 -11.220 -3.008 -2.250 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.584 -1.944 -1.353 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.452 -2.453 -2.948 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.106 -2.158 -1.116 1.00 0.00 C ATOM 0 H ILE A 31 -12.038 -3.537 0.495 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.112 -4.964 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.494 -3.295 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.733 -0.963 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.100 -1.934 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.176 -1.572 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.865 -3.211 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.199 -2.178 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.722 -1.367 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.951 -3.124 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.578 -2.138 -2.069 1.00 0.00 H new ATOM 539 N GLY A 32 -9.865 -5.955 -1.572 1.00 0.00 N ATOM 540 CA GLY A 32 -8.656 -6.643 -1.159 1.00 0.00 C ATOM 541 C GLY A 32 -7.406 -5.826 -1.421 1.00 0.00 C ATOM 542 O GLY A 32 -7.310 -5.130 -2.432 1.00 0.00 O ATOM 0 H GLY A 32 -10.321 -6.347 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.719 -6.875 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.583 -7.593 -1.689 1.00 0.00 H new ATOM 546 N CYS A 33 -6.445 -5.908 -0.506 1.00 0.00 N ATOM 547 CA CYS A 33 -5.196 -5.169 -0.641 1.00 0.00 C ATOM 548 C CYS A 33 -4.636 -5.299 -2.054 1.00 0.00 C ATOM 549 O CYS A 33 -4.585 -6.386 -2.631 1.00 0.00 O ATOM 550 CB CYS A 33 -4.169 -5.673 0.375 1.00 0.00 C ATOM 551 SG CYS A 33 -2.679 -4.633 0.505 1.00 0.00 S ATOM 0 H CYS A 33 -6.508 -6.479 0.337 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.403 -4.117 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.643 -5.734 1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.870 -6.685 0.102 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.865 -3.719 1.410 1.00 0.00 H new ATOM 556 N PRO A 34 -4.206 -4.166 -2.627 1.00 0.00 N ATOM 557 CA PRO A 34 -3.642 -4.127 -3.980 1.00 0.00 C ATOM 558 C PRO A 34 -2.275 -4.800 -4.057 1.00 0.00 C ATOM 559 O PRO A 34 -1.701 -4.938 -5.138 1.00 0.00 O ATOM 560 CB PRO A 34 -3.517 -2.629 -4.269 1.00 0.00 C ATOM 561 CG PRO A 34 -3.407 -1.992 -2.927 1.00 0.00 C ATOM 562 CD PRO A 34 -4.237 -2.834 -1.999 1.00 0.00 C ATOM 0 HA PRO A 34 -4.264 -4.663 -4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.641 -2.416 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.385 -2.257 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.369 -1.955 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.770 -0.965 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.819 -2.854 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.255 -2.454 -1.913 1.00 0.00 H new ATOM 570 N LEU A 35 -1.761 -5.217 -2.906 1.00 0.00 N ATOM 571 CA LEU A 35 -0.461 -5.876 -2.843 1.00 0.00 C ATOM 572 C LEU A 35 -0.615 -7.349 -2.476 1.00 0.00 C ATOM 573 O LEU A 35 0.350 -8.006 -2.085 1.00 0.00 O ATOM 574 CB LEU A 35 0.440 -5.176 -1.825 1.00 0.00 C ATOM 575 CG LEU A 35 1.052 -3.847 -2.271 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.783 -3.182 -1.116 1.00 0.00 C ATOM 577 CD2 LEU A 35 1.993 -4.062 -3.448 1.00 0.00 C ATOM 0 H LEU A 35 -2.224 -5.111 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.001 -5.812 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.139 -5.000 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.250 -5.855 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 35 0.246 -3.187 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.212 -2.238 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.082 -2.993 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.580 -3.837 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.419 -3.106 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.794 -4.740 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.440 -4.494 -4.282 1.00 0.00 H new ATOM 589 N VAL A 36 -1.834 -7.861 -2.605 1.00 0.00 N ATOM 590 CA VAL A 36 -2.114 -9.257 -2.290 1.00 0.00 C ATOM 591 C VAL A 36 -1.440 -9.672 -0.987 1.00 0.00 C ATOM 592 O VAL A 36 -1.016 -10.817 -0.831 1.00 0.00 O ATOM 593 CB VAL A 36 -1.643 -10.193 -3.419 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.284 -9.799 -4.741 1.00 0.00 C ATOM 595 CG2 VAL A 36 -0.126 -10.176 -3.526 1.00 0.00 C ATOM 0 H VAL A 36 -2.644 -7.330 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.195 -9.346 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.956 -11.209 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.940 -10.471 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.368 -9.868 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.004 -8.776 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.190 -10.843 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.212 -9.163 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.309 -10.511 -2.584 1.00 0.00 H new ATOM 605 N CYS A 37 -1.346 -8.733 -0.051 1.00 0.00 N ATOM 606 CA CYS A 37 -0.724 -9.000 1.240 1.00 0.00 C ATOM 607 C CYS A 37 -1.496 -10.071 2.005 1.00 0.00 C ATOM 608 O CYS A 37 -0.930 -10.793 2.825 1.00 0.00 O ATOM 609 CB CYS A 37 -0.653 -7.716 2.070 1.00 0.00 C ATOM 610 SG CYS A 37 -2.191 -7.322 2.964 1.00 0.00 S ATOM 0 H CYS A 37 -1.693 -7.780 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 37 0.287 -9.365 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.160 -7.806 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.405 -6.884 1.411 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.702 -6.227 2.486 1.00 0.00 H new ATOM 615 N GLY A 38 -2.794 -10.168 1.730 1.00 0.00 N ATOM 616 CA GLY A 38 -3.622 -11.153 2.400 1.00 0.00 C ATOM 617 C GLY A 38 -4.497 -10.540 3.476 1.00 0.00 C ATOM 618 O GLY A 38 -4.532 -11.024 4.607 1.00 0.00 O ATOM 0 H GLY A 38 -3.286 -9.582 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.252 -11.654 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.984 -11.916 2.846 1.00 0.00 H new ATOM 622 N ALA A 39 -5.203 -9.470 3.124 1.00 0.00 N ATOM 623 CA ALA A 39 -6.081 -8.790 4.068 1.00 0.00 C ATOM 624 C ALA A 39 -7.179 -8.021 3.341 1.00 0.00 C ATOM 625 O ALA A 39 -6.942 -7.428 2.288 1.00 0.00 O ATOM 626 CB ALA A 39 -5.277 -7.852 4.956 1.00 0.00 C ATOM 0 H ALA A 39 -5.184 -9.056 2.192 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.556 -9.546 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.946 -7.351 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.534 -8.424 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.775 -7.108 4.338 1.00 0.00 H new ATOM 632 N VAL A 40 -8.381 -8.037 3.908 1.00 0.00 N ATOM 633 CA VAL A 40 -9.516 -7.340 3.313 1.00 0.00 C ATOM 634 C VAL A 40 -9.942 -6.154 4.170 1.00 0.00 C ATOM 635 O VAL A 40 -10.369 -6.320 5.312 1.00 0.00 O ATOM 636 CB VAL A 40 -10.719 -8.284 3.127 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.896 -7.536 2.523 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.332 -9.475 2.263 1.00 0.00 C ATOM 0 H VAL A 40 -8.594 -8.525 4.778 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.191 -6.981 2.336 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.021 -8.657 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.736 -8.219 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.186 -6.720 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.611 -7.132 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.193 -10.132 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.003 -9.123 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.522 -10.024 2.742 1.00 0.00 H new ATOM 648 N PHE A 41 -9.825 -4.954 3.609 1.00 0.00 N ATOM 649 CA PHE A 41 -10.198 -3.738 4.322 1.00 0.00 C ATOM 650 C PHE A 41 -11.025 -2.817 3.430 1.00 0.00 C ATOM 651 O PHE A 41 -11.021 -2.952 2.206 1.00 0.00 O ATOM 652 CB PHE A 41 -8.948 -3.004 4.812 1.00 0.00 C ATOM 653 CG PHE A 41 -7.793 -3.083 3.854 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.635 -2.132 2.859 1.00 0.00 C ATOM 655 CD2 PHE A 41 -6.866 -4.108 3.950 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.574 -2.203 1.977 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.802 -4.184 3.070 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.655 -3.229 2.083 1.00 0.00 C ATOM 0 H PHE A 41 -9.475 -4.798 2.664 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.804 -4.023 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.196 -1.957 4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.643 -3.422 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.349 -1.326 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.976 -4.856 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.463 -1.456 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.087 -4.989 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.824 -3.284 1.396 1.00 0.00 H new ATOM 668 N HIS A 42 -11.734 -1.880 4.052 1.00 0.00 N ATOM 669 CA HIS A 42 -12.567 -0.936 3.315 1.00 0.00 C ATOM 670 C HIS A 42 -11.716 -0.061 2.399 1.00 0.00 C ATOM 671 O HIS A 42 -10.681 0.462 2.811 1.00 0.00 O ATOM 672 CB HIS A 42 -13.361 -0.060 4.284 1.00 0.00 C ATOM 673 CG HIS A 42 -14.572 -0.737 4.849 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.749 -0.884 4.146 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.783 -1.310 6.057 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.632 -1.516 4.898 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.071 -1.786 6.062 1.00 0.00 N ATOM 0 H HIS A 42 -11.748 -1.754 5.064 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.263 -1.506 2.700 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.709 0.244 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.670 0.849 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -15.912 -0.556 3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.071 -1.380 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.642 -1.769 4.610 1.00 0.00 H new ATOM 685 N SER A 43 -12.159 0.092 1.156 1.00 0.00 N ATOM 686 CA SER A 43 -11.436 0.900 0.181 1.00 0.00 C ATOM 687 C SER A 43 -10.845 2.144 0.837 1.00 0.00 C ATOM 688 O SER A 43 -9.700 2.513 0.576 1.00 0.00 O ATOM 689 CB SER A 43 -12.364 1.306 -0.966 1.00 0.00 C ATOM 690 OG SER A 43 -13.239 2.348 -0.569 1.00 0.00 O ATOM 0 H SER A 43 -13.015 -0.333 0.800 1.00 0.00 H new ATOM 0 HA SER A 43 -10.619 0.298 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.771 1.631 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.945 0.443 -1.291 1.00 0.00 H new ATOM 0 HG SER A 43 -13.706 2.088 0.252 1.00 0.00 H new ATOM 696 N CYS A 44 -11.636 2.787 1.690 1.00 0.00 N ATOM 697 CA CYS A 44 -11.194 3.990 2.385 1.00 0.00 C ATOM 698 C CYS A 44 -10.103 3.662 3.400 1.00 0.00 C ATOM 699 O CYS A 44 -9.078 4.341 3.468 1.00 0.00 O ATOM 700 CB CYS A 44 -12.375 4.661 3.088 1.00 0.00 C ATOM 701 SG CYS A 44 -12.849 3.872 4.661 1.00 0.00 S ATOM 0 H CYS A 44 -12.587 2.495 1.916 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.783 4.677 1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.126 5.705 3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.234 4.655 2.417 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.028 3.338 4.540 1.00 0.00 H new ATOM 706 N LYS A 45 -10.330 2.616 4.187 1.00 0.00 N ATOM 707 CA LYS A 45 -9.367 2.196 5.198 1.00 0.00 C ATOM 708 C LYS A 45 -8.004 1.920 4.570 1.00 0.00 C ATOM 709 O LYS A 45 -6.966 2.165 5.184 1.00 0.00 O ATOM 710 CB LYS A 45 -9.869 0.944 5.922 1.00 0.00 C ATOM 711 CG LYS A 45 -11.016 1.216 6.880 1.00 0.00 C ATOM 712 CD LYS A 45 -10.560 2.029 8.079 1.00 0.00 C ATOM 713 CE LYS A 45 -11.477 1.823 9.275 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.795 2.142 10.559 1.00 0.00 N ATOM 0 H LYS A 45 -11.173 2.043 4.144 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.259 3.006 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.190 0.211 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.042 0.498 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.809 1.751 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.439 0.271 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.542 1.745 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.537 3.086 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.361 2.452 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.822 0.789 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.454 1.989 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.966 1.525 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.488 3.136 10.552 1.00 0.00 H new ATOM 728 N ALA A 46 -8.015 1.410 3.343 1.00 0.00 N ATOM 729 CA ALA A 46 -6.781 1.105 2.631 1.00 0.00 C ATOM 730 C ALA A 46 -5.735 2.192 2.855 1.00 0.00 C ATOM 731 O ALA A 46 -4.684 1.942 3.447 1.00 0.00 O ATOM 732 CB ALA A 46 -7.057 0.935 1.144 1.00 0.00 C ATOM 0 H ALA A 46 -8.866 1.199 2.821 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.385 0.169 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.126 0.708 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.764 0.118 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.479 1.857 0.745 1.00 0.00 H new ATOM 738 N ASP A 47 -6.028 3.396 2.379 1.00 0.00 N ATOM 739 CA ASP A 47 -5.113 4.522 2.528 1.00 0.00 C ATOM 740 C ASP A 47 -4.357 4.435 3.850 1.00 0.00 C ATOM 741 O ASP A 47 -3.190 4.819 3.935 1.00 0.00 O ATOM 742 CB ASP A 47 -5.878 5.843 2.450 1.00 0.00 C ATOM 743 CG ASP A 47 -6.628 6.001 1.142 1.00 0.00 C ATOM 744 OD1 ASP A 47 -6.067 5.635 0.088 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.776 6.492 1.171 1.00 0.00 O ATOM 0 H ASP A 47 -6.893 3.618 1.886 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.391 4.482 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.583 5.901 3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.180 6.672 2.567 1.00 0.00 H new ATOM 750 N GLU A 48 -5.030 3.930 4.880 1.00 0.00 N ATOM 751 CA GLU A 48 -4.421 3.796 6.198 1.00 0.00 C ATOM 752 C GLU A 48 -3.723 2.446 6.339 1.00 0.00 C ATOM 753 O GLU A 48 -2.577 2.371 6.784 1.00 0.00 O ATOM 754 CB GLU A 48 -5.479 3.952 7.291 1.00 0.00 C ATOM 755 CG GLU A 48 -6.226 5.274 7.232 1.00 0.00 C ATOM 756 CD GLU A 48 -6.719 5.728 8.592 1.00 0.00 C ATOM 757 OE1 GLU A 48 -5.954 5.604 9.571 1.00 0.00 O ATOM 758 OE2 GLU A 48 -7.870 6.205 8.677 1.00 0.00 O ATOM 0 H GLU A 48 -5.996 3.607 4.827 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.676 4.584 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.196 3.135 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.999 3.859 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.571 6.038 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.075 5.177 6.556 1.00 0.00 H new ATOM 765 N HIS A 49 -4.422 1.382 5.959 1.00 0.00 N ATOM 766 CA HIS A 49 -3.870 0.034 6.043 1.00 0.00 C ATOM 767 C HIS A 49 -2.518 -0.044 5.340 1.00 0.00 C ATOM 768 O HIS A 49 -1.533 -0.502 5.918 1.00 0.00 O ATOM 769 CB HIS A 49 -4.838 -0.976 5.427 1.00 0.00 C ATOM 770 CG HIS A 49 -4.190 -2.270 5.043 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.215 -3.391 5.844 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.497 -2.617 3.933 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.564 -4.373 5.245 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.118 -3.929 4.084 1.00 0.00 N ATOM 0 H HIS A 49 -5.372 1.426 5.590 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.727 -0.208 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.640 -1.178 6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.298 -0.533 4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.282 -1.981 3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.421 -5.369 5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.580 -4.472 3.409 1.00 0.00 H new ATOM 782 N ARG A 50 -2.481 0.405 4.090 1.00 0.00 N ATOM 783 CA ARG A 50 -1.251 0.383 3.307 1.00 0.00 C ATOM 784 C ARG A 50 -0.047 0.732 4.177 1.00 0.00 C ATOM 785 O ARG A 50 1.015 0.119 4.061 1.00 0.00 O ATOM 786 CB ARG A 50 -1.349 1.363 2.136 1.00 0.00 C ATOM 787 CG ARG A 50 -1.160 2.816 2.540 1.00 0.00 C ATOM 788 CD ARG A 50 -1.113 3.730 1.326 1.00 0.00 C ATOM 789 NE ARG A 50 0.247 3.907 0.826 1.00 0.00 N ATOM 790 CZ ARG A 50 0.620 4.920 0.051 1.00 0.00 C ATOM 791 NH1 ARG A 50 -0.262 5.842 -0.309 1.00 0.00 N ATOM 792 NH2 ARG A 50 1.877 5.012 -0.364 1.00 0.00 N ATOM 0 H ARG A 50 -3.288 0.788 3.598 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.116 -0.626 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.598 1.101 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.323 1.251 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.976 3.122 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.237 2.919 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.739 3.315 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.532 4.702 1.587 1.00 0.00 H new ATOM 0 HE ARG A 50 0.950 3.215 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.229 5.775 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.026 6.619 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.558 4.305 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.162 5.790 -0.959 1.00 0.00 H new ATOM 806 N LEU A 51 -0.219 1.722 5.046 1.00 0.00 N ATOM 807 CA LEU A 51 0.854 2.154 5.936 1.00 0.00 C ATOM 808 C LEU A 51 1.365 0.989 6.778 1.00 0.00 C ATOM 809 O LEU A 51 2.572 0.826 6.964 1.00 0.00 O ATOM 810 CB LEU A 51 0.364 3.281 6.847 1.00 0.00 C ATOM 811 CG LEU A 51 -0.166 4.530 6.144 1.00 0.00 C ATOM 812 CD1 LEU A 51 -0.841 5.458 7.142 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.960 5.252 5.418 1.00 0.00 C ATOM 0 H LEU A 51 -1.091 2.241 5.154 1.00 0.00 H new ATOM 0 HA LEU A 51 1.676 2.522 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.425 2.886 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.186 3.577 7.499 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.907 4.222 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.212 6.342 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.674 4.939 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.121 5.759 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.564 6.139 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.725 5.548 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.399 4.587 4.674 1.00 0.00 H new ATOM 825 N LEU A 52 0.440 0.180 7.283 1.00 0.00 N ATOM 826 CA LEU A 52 0.797 -0.972 8.104 1.00 0.00 C ATOM 827 C LEU A 52 1.182 -2.163 7.232 1.00 0.00 C ATOM 828 O LEU A 52 2.158 -2.860 7.510 1.00 0.00 O ATOM 829 CB LEU A 52 -0.368 -1.351 9.020 1.00 0.00 C ATOM 830 CG LEU A 52 -1.150 -0.186 9.627 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.301 -0.702 10.478 1.00 0.00 C ATOM 832 CD2 LEU A 52 -0.230 0.701 10.454 1.00 0.00 C ATOM 0 H LEU A 52 -0.563 0.300 7.138 1.00 0.00 H new ATOM 0 HA LEU A 52 1.657 -0.699 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.062 -1.973 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.020 -1.965 9.833 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.564 0.411 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.846 0.141 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.974 -1.295 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.908 -1.322 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.804 1.525 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.213 0.115 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.560 1.099 9.818 1.00 0.00 H new ATOM 844 N CYS A 53 0.409 -2.390 6.175 1.00 0.00 N ATOM 845 CA CYS A 53 0.669 -3.496 5.261 1.00 0.00 C ATOM 846 C CYS A 53 2.163 -3.797 5.183 1.00 0.00 C ATOM 847 O CYS A 53 2.989 -2.915 4.948 1.00 0.00 O ATOM 848 CB CYS A 53 0.131 -3.169 3.866 1.00 0.00 C ATOM 849 SG CYS A 53 0.250 -4.548 2.682 1.00 0.00 S ATOM 0 H CYS A 53 -0.403 -1.823 5.930 1.00 0.00 H new ATOM 0 HA CYS A 53 0.157 -4.379 5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.913 -2.867 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.678 -2.314 3.468 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.794 -4.546 1.907 1.00 0.00 H new ATOM 854 N PRO A 54 2.520 -5.075 5.385 1.00 0.00 N ATOM 855 CA PRO A 54 3.915 -5.523 5.343 1.00 0.00 C ATOM 856 C PRO A 54 4.494 -5.482 3.933 1.00 0.00 C ATOM 857 O PRO A 54 5.710 -5.535 3.748 1.00 0.00 O ATOM 858 CB PRO A 54 3.839 -6.966 5.848 1.00 0.00 C ATOM 859 CG PRO A 54 2.450 -7.404 5.536 1.00 0.00 C ATOM 860 CD PRO A 54 1.589 -6.179 5.671 1.00 0.00 C ATOM 0 HA PRO A 54 4.567 -4.883 5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.575 -7.599 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.041 -7.022 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.388 -7.816 4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.125 -8.187 6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.756 -6.194 4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.162 -6.096 6.670 1.00 0.00 H new ATOM 868 N PHE A 55 3.616 -5.387 2.940 1.00 0.00 N ATOM 869 CA PHE A 55 4.040 -5.340 1.545 1.00 0.00 C ATOM 870 C PHE A 55 4.321 -3.904 1.111 1.00 0.00 C ATOM 871 O PHE A 55 5.302 -3.635 0.418 1.00 0.00 O ATOM 872 CB PHE A 55 2.970 -5.957 0.643 1.00 0.00 C ATOM 873 CG PHE A 55 3.040 -7.456 0.569 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.304 -8.207 1.703 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.841 -8.113 -0.634 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.369 -9.586 1.638 1.00 0.00 C ATOM 877 CE2 PHE A 55 2.905 -9.492 -0.705 1.00 0.00 C ATOM 878 CZ PHE A 55 3.169 -10.229 0.433 1.00 0.00 C ATOM 0 H PHE A 55 2.606 -5.341 3.075 1.00 0.00 H new ATOM 0 HA PHE A 55 4.960 -5.917 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.986 -5.665 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.072 -5.546 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.461 -7.709 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.633 -7.541 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.576 -10.160 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.749 -9.993 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.219 -11.307 0.380 1.00 0.00 H new ATOM 888 N GLU A 56 3.452 -2.986 1.524 1.00 0.00 N ATOM 889 CA GLU A 56 3.606 -1.579 1.176 1.00 0.00 C ATOM 890 C GLU A 56 5.074 -1.165 1.221 1.00 0.00 C ATOM 891 O GLU A 56 5.799 -1.508 2.155 1.00 0.00 O ATOM 892 CB GLU A 56 2.789 -0.703 2.129 1.00 0.00 C ATOM 893 CG GLU A 56 2.556 0.706 1.611 1.00 0.00 C ATOM 894 CD GLU A 56 1.952 0.724 0.220 1.00 0.00 C ATOM 895 OE1 GLU A 56 0.944 0.019 0.002 1.00 0.00 O ATOM 896 OE2 GLU A 56 2.487 1.442 -0.651 1.00 0.00 O ATOM 0 H GLU A 56 2.635 -3.192 2.099 1.00 0.00 H new ATOM 0 HA GLU A 56 3.238 -1.440 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.825 -1.179 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.303 -0.648 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.895 1.237 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.503 1.246 1.599 1.00 0.00 H new ATOM 903 N ARG A 57 5.505 -0.425 0.204 1.00 0.00 N ATOM 904 CA ARG A 57 6.887 0.034 0.125 1.00 0.00 C ATOM 905 C ARG A 57 7.221 0.954 1.296 1.00 0.00 C ATOM 906 O ARG A 57 6.552 1.964 1.517 1.00 0.00 O ATOM 907 CB ARG A 57 7.129 0.765 -1.197 1.00 0.00 C ATOM 908 CG ARG A 57 8.500 1.415 -1.291 1.00 0.00 C ATOM 909 CD ARG A 57 8.525 2.512 -2.344 1.00 0.00 C ATOM 910 NE ARG A 57 8.168 3.814 -1.786 1.00 0.00 N ATOM 911 CZ ARG A 57 8.185 4.943 -2.485 1.00 0.00 C ATOM 912 NH1 ARG A 57 8.539 4.930 -3.763 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.847 6.088 -1.907 1.00 0.00 N ATOM 0 H ARG A 57 4.917 -0.131 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 57 7.538 -0.839 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.014 0.059 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.364 1.531 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.773 1.833 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.247 0.659 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.520 2.567 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.833 2.260 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 57 7.890 3.858 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.799 4.051 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.551 5.799 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.574 6.102 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.861 6.954 -2.445 1.00 0.00 H new ATOM 927 N VAL A 58 8.261 0.598 2.044 1.00 0.00 N ATOM 928 CA VAL A 58 8.685 1.391 3.191 1.00 0.00 C ATOM 929 C VAL A 58 10.194 1.607 3.182 1.00 0.00 C ATOM 930 O VAL A 58 10.967 0.745 2.763 1.00 0.00 O ATOM 931 CB VAL A 58 8.282 0.719 4.517 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.791 0.418 4.531 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.093 -0.548 4.741 1.00 0.00 C ATOM 0 H VAL A 58 8.825 -0.235 1.876 1.00 0.00 H new ATOM 0 HA VAL A 58 8.182 2.355 3.113 1.00 0.00 H new ATOM 0 HB VAL A 58 8.497 1.408 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.524 -0.057 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.231 1.347 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.547 -0.252 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.795 -1.009 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.913 -1.245 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.154 -0.299 4.779 1.00 0.00 H new ATOM 943 N PRO A 59 10.626 2.785 3.656 1.00 0.00 N ATOM 944 CA PRO A 59 12.047 3.142 3.715 1.00 0.00 C ATOM 945 C PRO A 59 12.805 2.332 4.761 1.00 0.00 C ATOM 946 O PRO A 59 12.268 2.009 5.821 1.00 0.00 O ATOM 947 CB PRO A 59 12.024 4.624 4.099 1.00 0.00 C ATOM 948 CG PRO A 59 10.732 4.810 4.816 1.00 0.00 C ATOM 949 CD PRO A 59 9.761 3.859 4.172 1.00 0.00 C ATOM 0 HA PRO A 59 12.558 2.939 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.871 4.881 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.083 5.262 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.841 4.596 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.384 5.840 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.034 3.479 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.198 4.340 3.373 1.00 0.00 H new ATOM 957 N CYS A 60 14.057 2.007 4.456 1.00 0.00 N ATOM 958 CA CYS A 60 14.891 1.235 5.370 1.00 0.00 C ATOM 959 C CYS A 60 14.724 1.725 6.805 1.00 0.00 C ATOM 960 O CYS A 60 14.710 2.930 7.064 1.00 0.00 O ATOM 961 CB CYS A 60 16.360 1.329 4.955 1.00 0.00 C ATOM 962 SG CYS A 60 17.531 0.763 6.232 1.00 0.00 S ATOM 0 H CYS A 60 14.516 2.266 3.583 1.00 0.00 H new ATOM 0 HA CYS A 60 14.572 0.194 5.321 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.510 0.737 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.589 2.364 4.700 1.00 0.00 H new ATOM 0 HG CYS A 60 18.635 1.444 6.141 1.00 0.00 H new ATOM 967 N LEU A 61 14.597 0.785 7.735 1.00 0.00 N ATOM 968 CA LEU A 61 14.431 1.120 9.145 1.00 0.00 C ATOM 969 C LEU A 61 15.348 2.273 9.542 1.00 0.00 C ATOM 970 O LEU A 61 14.910 3.242 10.161 1.00 0.00 O ATOM 971 CB LEU A 61 14.723 -0.102 10.017 1.00 0.00 C ATOM 972 CG LEU A 61 13.568 -1.087 10.200 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.065 -2.383 10.823 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.470 -0.470 11.053 1.00 0.00 C ATOM 0 H LEU A 61 14.606 -0.216 7.538 1.00 0.00 H new ATOM 0 HA LEU A 61 13.398 1.431 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.567 -0.639 9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.037 0.246 11.001 1.00 0.00 H new ATOM 0 HG LEU A 61 13.152 -1.315 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.229 -3.072 10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.815 -2.835 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.507 -2.172 11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.657 -1.186 11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.872 -0.211 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.093 0.430 10.566 1.00 0.00 H new ATOM 986 N ASN A 62 16.621 2.162 9.179 1.00 0.00 N ATOM 987 CA ASN A 62 17.600 3.196 9.496 1.00 0.00 C ATOM 988 C ASN A 62 17.543 4.329 8.476 1.00 0.00 C ATOM 989 O ASN A 62 18.576 4.813 8.012 1.00 0.00 O ATOM 990 CB ASN A 62 19.008 2.600 9.535 1.00 0.00 C ATOM 991 CG ASN A 62 19.086 1.355 10.398 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.036 1.434 11.625 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.208 0.198 9.758 1.00 0.00 N ATOM 0 H ASN A 62 16.999 1.366 8.665 1.00 0.00 H new ATOM 0 HA ASN A 62 17.358 3.602 10.478 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.324 2.356 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.705 3.347 9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.264 -0.673 10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.245 0.180 8.739 1.00 0.00 H new ATOM 1000 N SER A 63 16.329 4.748 8.132 1.00 0.00 N ATOM 1001 CA SER A 63 16.137 5.822 7.164 1.00 0.00 C ATOM 1002 C SER A 63 16.843 7.096 7.620 1.00 0.00 C ATOM 1003 O SER A 63 17.509 7.766 6.830 1.00 0.00 O ATOM 1004 CB SER A 63 14.645 6.096 6.964 1.00 0.00 C ATOM 1005 OG SER A 63 14.060 6.617 8.145 1.00 0.00 O ATOM 0 H SER A 63 15.464 4.360 8.509 1.00 0.00 H new ATOM 0 HA SER A 63 16.571 5.506 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.508 6.802 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.138 5.174 6.679 1.00 0.00 H new ATOM 0 HG SER A 63 13.107 6.785 7.991 1.00 0.00 H new ATOM 1011 N ASP A 64 16.692 7.424 8.898 1.00 0.00 N ATOM 1012 CA ASP A 64 17.315 8.616 9.461 1.00 0.00 C ATOM 1013 C ASP A 64 18.731 8.795 8.922 1.00 0.00 C ATOM 1014 O ASP A 64 19.072 9.847 8.382 1.00 0.00 O ATOM 1015 CB ASP A 64 17.344 8.530 10.988 1.00 0.00 C ATOM 1016 CG ASP A 64 16.056 9.021 11.619 1.00 0.00 C ATOM 1017 OD1 ASP A 64 15.505 10.033 11.136 1.00 0.00 O ATOM 1018 OD2 ASP A 64 15.598 8.393 12.597 1.00 0.00 O ATOM 0 H ASP A 64 16.143 6.881 9.564 1.00 0.00 H new ATOM 0 HA ASP A 64 16.721 9.481 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.522 7.497 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.179 9.120 11.367 1.00 0.00 H new ATOM 1023 N PHE A 65 19.551 7.761 9.074 1.00 0.00 N ATOM 1024 CA PHE A 65 20.931 7.804 8.605 1.00 0.00 C ATOM 1025 C PHE A 65 21.004 8.338 7.177 1.00 0.00 C ATOM 1026 O PHE A 65 21.860 9.159 6.853 1.00 0.00 O ATOM 1027 CB PHE A 65 21.560 6.411 8.674 1.00 0.00 C ATOM 1028 CG PHE A 65 22.023 6.029 10.050 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.117 5.599 11.006 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.365 6.100 10.389 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.540 5.247 12.274 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.793 5.749 11.655 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.880 5.323 12.599 1.00 0.00 C ATOM 0 H PHE A 65 19.284 6.883 9.518 1.00 0.00 H new ATOM 0 HA PHE A 65 21.488 8.478 9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 65 20.834 5.676 8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.408 6.370 7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.068 5.538 10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.084 6.433 9.655 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.823 4.913 13.010 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.842 5.808 11.906 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.213 5.050 13.589 1.00 0.00 H new ATOM 1043 N GLY A 66 20.098 7.863 6.328 1.00 0.00 N ATOM 1044 CA GLY A 66 20.076 8.302 4.945 1.00 0.00 C ATOM 1045 C GLY A 66 20.190 7.149 3.968 1.00 0.00 C ATOM 1046 O GLY A 66 20.874 7.253 2.949 1.00 0.00 O ATOM 0 H GLY A 66 19.379 7.182 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.150 8.845 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.896 9.000 4.776 1.00 0.00 H new ATOM 1050 N CYS A 67 19.521 6.043 4.280 1.00 0.00 N ATOM 1051 CA CYS A 67 19.552 4.864 3.424 1.00 0.00 C ATOM 1052 C CYS A 67 18.538 4.988 2.290 1.00 0.00 C ATOM 1053 O CYS A 67 17.326 4.949 2.501 1.00 0.00 O ATOM 1054 CB CYS A 67 19.265 3.605 4.245 1.00 0.00 C ATOM 1055 SG CYS A 67 19.922 2.073 3.511 1.00 0.00 S ATOM 0 H CYS A 67 18.951 5.940 5.120 1.00 0.00 H new ATOM 0 HA CYS A 67 20.549 4.787 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.690 3.729 5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.187 3.503 4.369 1.00 0.00 H new ATOM 0 HG CYS A 67 20.243 1.241 4.457 1.00 0.00 H new ATOM 1060 N PRO A 68 19.045 5.140 1.058 1.00 0.00 N ATOM 1061 CA PRO A 68 18.201 5.272 -0.134 1.00 0.00 C ATOM 1062 C PRO A 68 17.484 3.972 -0.483 1.00 0.00 C ATOM 1063 O PRO A 68 16.670 3.929 -1.406 1.00 0.00 O ATOM 1064 CB PRO A 68 19.198 5.645 -1.234 1.00 0.00 C ATOM 1065 CG PRO A 68 20.501 5.094 -0.768 1.00 0.00 C ATOM 1066 CD PRO A 68 20.480 5.195 0.733 1.00 0.00 C ATOM 0 HA PRO A 68 17.407 6.005 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.908 5.217 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.251 6.725 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.624 4.059 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.335 5.658 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.029 4.377 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.935 6.123 1.080 1.00 0.00 H new ATOM 1074 N PHE A 69 17.791 2.914 0.260 1.00 0.00 N ATOM 1075 CA PHE A 69 17.175 1.613 0.028 1.00 0.00 C ATOM 1076 C PHE A 69 15.717 1.613 0.476 1.00 0.00 C ATOM 1077 O PHE A 69 15.396 2.033 1.589 1.00 0.00 O ATOM 1078 CB PHE A 69 17.948 0.520 0.771 1.00 0.00 C ATOM 1079 CG PHE A 69 19.228 0.124 0.092 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.381 0.871 0.269 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.277 -0.995 -0.724 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.561 0.508 -0.355 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.453 -1.362 -1.349 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.596 -0.609 -1.165 1.00 0.00 C ATOM 0 H PHE A 69 18.462 2.932 1.028 1.00 0.00 H new ATOM 0 HA PHE A 69 17.208 1.409 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.173 0.867 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.312 -0.360 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.358 1.746 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.386 -1.587 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.454 1.098 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.479 -2.237 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.516 -0.894 -1.654 1.00 0.00 H new ATOM 1094 N THR A 70 14.835 1.141 -0.400 1.00 0.00 N ATOM 1095 CA THR A 70 13.410 1.088 -0.098 1.00 0.00 C ATOM 1096 C THR A 70 12.808 -0.248 -0.518 1.00 0.00 C ATOM 1097 O THR A 70 13.018 -0.708 -1.639 1.00 0.00 O ATOM 1098 CB THR A 70 12.645 2.226 -0.799 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.011 2.284 -2.182 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.937 3.564 -0.135 1.00 0.00 C ATOM 0 H THR A 70 15.083 0.790 -1.325 1.00 0.00 H new ATOM 0 HA THR A 70 13.311 1.204 0.981 1.00 0.00 H new ATOM 0 HB THR A 70 11.578 2.022 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.056 1.376 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.386 4.352 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.629 3.526 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.005 3.773 -0.192 1.00 0.00 H new ATOM 1108 N MET A 71 12.059 -0.865 0.390 1.00 0.00 N ATOM 1109 CA MET A 71 11.425 -2.149 0.112 1.00 0.00 C ATOM 1110 C MET A 71 10.316 -2.437 1.119 1.00 0.00 C ATOM 1111 O MET A 71 10.085 -1.656 2.041 1.00 0.00 O ATOM 1112 CB MET A 71 12.463 -3.272 0.144 1.00 0.00 C ATOM 1113 CG MET A 71 13.329 -3.264 1.392 1.00 0.00 C ATOM 1114 SD MET A 71 14.802 -2.240 1.210 1.00 0.00 S ATOM 1115 CE MET A 71 14.499 -0.987 2.453 1.00 0.00 C ATOM 0 H MET A 71 11.876 -0.497 1.324 1.00 0.00 H new ATOM 0 HA MET A 71 10.984 -2.100 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.950 -4.231 0.074 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.104 -3.188 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.741 -2.901 2.235 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.628 -4.285 1.628 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.260 -0.210 2.379 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.514 -0.547 2.294 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.538 -1.440 3.444 1.00 0.00 H new ATOM 1125 N ALA A 72 9.633 -3.562 0.934 1.00 0.00 N ATOM 1126 CA ALA A 72 8.550 -3.953 1.828 1.00 0.00 C ATOM 1127 C ALA A 72 9.036 -4.053 3.270 1.00 0.00 C ATOM 1128 O ALA A 72 10.234 -4.181 3.523 1.00 0.00 O ATOM 1129 CB ALA A 72 7.947 -5.276 1.379 1.00 0.00 C ATOM 0 H ALA A 72 9.810 -4.218 0.174 1.00 0.00 H new ATOM 0 HA ALA A 72 7.781 -3.182 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.140 -5.556 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.554 -5.172 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.715 -6.049 1.392 1.00 0.00 H new ATOM 1135 N ARG A 73 8.100 -3.993 4.211 1.00 0.00 N ATOM 1136 CA ARG A 73 8.434 -4.076 5.627 1.00 0.00 C ATOM 1137 C ARG A 73 8.855 -5.493 6.005 1.00 0.00 C ATOM 1138 O ARG A 73 9.766 -5.687 6.809 1.00 0.00 O ATOM 1139 CB ARG A 73 7.241 -3.642 6.481 1.00 0.00 C ATOM 1140 CG ARG A 73 7.063 -2.134 6.558 1.00 0.00 C ATOM 1141 CD ARG A 73 5.698 -1.762 7.116 1.00 0.00 C ATOM 1142 NE ARG A 73 5.514 -2.247 8.481 1.00 0.00 N ATOM 1143 CZ ARG A 73 5.930 -1.588 9.557 1.00 0.00 C ATOM 1144 NH1 ARG A 73 6.549 -0.423 9.427 1.00 0.00 N ATOM 1145 NH2 ARG A 73 5.725 -2.095 10.766 1.00 0.00 N ATOM 0 H ARG A 73 7.104 -3.887 4.018 1.00 0.00 H new ATOM 0 HA ARG A 73 9.271 -3.404 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.333 -4.086 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.364 -4.037 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.843 -1.706 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.181 -1.701 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.582 -0.678 7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.919 -2.177 6.476 1.00 0.00 H new ATOM 0 HE ARG A 73 5.040 -3.140 8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.707 -0.030 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.867 0.081 10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.248 -2.991 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.044 -1.589 11.592 1.00 0.00 H new ATOM 1159 N ASN A 74 8.184 -6.480 5.421 1.00 0.00 N ATOM 1160 CA ASN A 74 8.487 -7.879 5.697 1.00 0.00 C ATOM 1161 C ASN A 74 9.747 -8.319 4.956 1.00 0.00 C ATOM 1162 O ASN A 74 10.135 -9.486 5.008 1.00 0.00 O ATOM 1163 CB ASN A 74 7.309 -8.768 5.294 1.00 0.00 C ATOM 1164 CG ASN A 74 7.467 -10.195 5.782 1.00 0.00 C ATOM 1165 OD1 ASN A 74 8.030 -10.439 6.849 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.969 -11.146 5.000 1.00 0.00 N ATOM 0 H ASN A 74 7.426 -6.337 4.753 1.00 0.00 H new ATOM 0 HA ASN A 74 8.661 -7.982 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.387 -8.349 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.212 -8.767 4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.045 -12.125 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.510 -10.897 4.124 1.00 0.00 H new ATOM 1173 N LYS A 75 10.381 -7.376 4.268 1.00 0.00 N ATOM 1174 CA LYS A 75 11.598 -7.664 3.518 1.00 0.00 C ATOM 1175 C LYS A 75 12.768 -6.837 4.041 1.00 0.00 C ATOM 1176 O LYS A 75 13.930 -7.204 3.862 1.00 0.00 O ATOM 1177 CB LYS A 75 11.383 -7.379 2.030 1.00 0.00 C ATOM 1178 CG LYS A 75 11.144 -8.629 1.200 1.00 0.00 C ATOM 1179 CD LYS A 75 9.762 -9.209 1.453 1.00 0.00 C ATOM 1180 CE LYS A 75 8.751 -8.704 0.435 1.00 0.00 C ATOM 1181 NZ LYS A 75 8.741 -9.538 -0.798 1.00 0.00 N ATOM 0 H LYS A 75 10.072 -6.405 4.214 1.00 0.00 H new ATOM 0 HA LYS A 75 11.835 -8.720 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.531 -6.709 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.255 -6.855 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.252 -8.391 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.902 -9.375 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.810 -10.297 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.433 -8.943 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.756 -8.703 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.984 -7.672 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.039 -9.161 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.683 -9.519 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.494 -10.518 -0.552 1.00 0.00 H new ATOM 1195 N VAL A 76 12.454 -5.720 4.689 1.00 0.00 N ATOM 1196 CA VAL A 76 13.480 -4.843 5.241 1.00 0.00 C ATOM 1197 C VAL A 76 14.550 -5.642 5.975 1.00 0.00 C ATOM 1198 O VAL A 76 15.745 -5.398 5.809 1.00 0.00 O ATOM 1199 CB VAL A 76 12.873 -3.809 6.208 1.00 0.00 C ATOM 1200 CG1 VAL A 76 13.941 -3.258 7.141 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.199 -2.686 5.434 1.00 0.00 C ATOM 0 H VAL A 76 11.498 -5.401 4.845 1.00 0.00 H new ATOM 0 HA VAL A 76 13.935 -4.320 4.400 1.00 0.00 H new ATOM 0 HB VAL A 76 12.116 -4.306 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.493 -2.529 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.373 -4.073 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.723 -2.776 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.776 -1.965 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.934 -2.189 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.404 -3.098 4.813 1.00 0.00 H new ATOM 1211 N ALA A 77 14.113 -6.599 6.787 1.00 0.00 N ATOM 1212 CA ALA A 77 15.034 -7.437 7.546 1.00 0.00 C ATOM 1213 C ALA A 77 16.196 -7.903 6.675 1.00 0.00 C ATOM 1214 O ALA A 77 17.350 -7.561 6.930 1.00 0.00 O ATOM 1215 CB ALA A 77 14.299 -8.633 8.132 1.00 0.00 C ATOM 0 H ALA A 77 13.127 -6.813 6.936 1.00 0.00 H new ATOM 0 HA ALA A 77 15.441 -6.840 8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.999 -9.250 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.507 -8.284 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.864 -9.223 7.326 1.00 0.00 H new ATOM 1221 N GLU A 78 15.883 -8.685 5.647 1.00 0.00 N ATOM 1222 CA GLU A 78 16.903 -9.199 4.740 1.00 0.00 C ATOM 1223 C GLU A 78 17.886 -8.100 4.348 1.00 0.00 C ATOM 1224 O GLU A 78 19.100 -8.307 4.350 1.00 0.00 O ATOM 1225 CB GLU A 78 16.252 -9.787 3.486 1.00 0.00 C ATOM 1226 CG GLU A 78 17.056 -10.911 2.854 1.00 0.00 C ATOM 1227 CD GLU A 78 18.282 -10.408 2.117 1.00 0.00 C ATOM 1228 OE1 GLU A 78 18.143 -9.474 1.301 1.00 0.00 O ATOM 1229 OE2 GLU A 78 19.381 -10.950 2.357 1.00 0.00 O ATOM 0 H GLU A 78 14.932 -8.976 5.421 1.00 0.00 H new ATOM 0 HA GLU A 78 17.452 -9.985 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.261 -10.160 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.114 -8.993 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.365 -11.612 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.420 -11.462 2.161 1.00 0.00 H new ATOM 1236 N HIS A 79 17.352 -6.929 4.012 1.00 0.00 N ATOM 1237 CA HIS A 79 18.182 -5.796 3.617 1.00 0.00 C ATOM 1238 C HIS A 79 19.109 -5.379 4.755 1.00 0.00 C ATOM 1239 O HIS A 79 20.306 -5.176 4.551 1.00 0.00 O ATOM 1240 CB HIS A 79 17.305 -4.616 3.199 1.00 0.00 C ATOM 1241 CG HIS A 79 18.033 -3.308 3.175 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.066 -3.038 2.301 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.872 -2.190 3.921 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.510 -1.811 2.513 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.802 -1.275 3.491 1.00 0.00 N ATOM 0 H HIS A 79 16.350 -6.740 4.005 1.00 0.00 H new ATOM 0 HA HIS A 79 18.793 -6.103 2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.894 -4.812 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.461 -4.540 3.885 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.147 -2.044 4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.315 -1.329 1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.926 -0.335 3.866 1.00 0.00 H new ATOM 1253 N LEU A 80 18.547 -5.253 5.952 1.00 0.00 N ATOM 1254 CA LEU A 80 19.323 -4.859 7.123 1.00 0.00 C ATOM 1255 C LEU A 80 20.619 -5.659 7.212 1.00 0.00 C ATOM 1256 O LEU A 80 21.659 -5.131 7.605 1.00 0.00 O ATOM 1257 CB LEU A 80 18.499 -5.059 8.396 1.00 0.00 C ATOM 1258 CG LEU A 80 17.269 -4.163 8.548 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.429 -4.606 9.735 1.00 0.00 C ATOM 1260 CD2 LEU A 80 17.686 -2.707 8.700 1.00 0.00 C ATOM 0 H LEU A 80 17.558 -5.418 6.137 1.00 0.00 H new ATOM 0 HA LEU A 80 19.575 -3.803 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.173 -6.098 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.150 -4.897 9.255 1.00 0.00 H new ATOM 0 HG LEU A 80 16.663 -4.254 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.558 -3.957 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.100 -5.634 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.025 -4.545 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.798 -2.084 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.314 -2.599 9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.245 -2.395 7.818 1.00 0.00 H new ATOM 1272 N GLU A 81 20.548 -6.934 6.842 1.00 0.00 N ATOM 1273 CA GLU A 81 21.717 -7.805 6.879 1.00 0.00 C ATOM 1274 C GLU A 81 22.853 -7.227 6.041 1.00 0.00 C ATOM 1275 O GLU A 81 24.016 -7.261 6.444 1.00 0.00 O ATOM 1276 CB GLU A 81 21.355 -9.203 6.373 1.00 0.00 C ATOM 1277 CG GLU A 81 20.383 -9.944 7.275 1.00 0.00 C ATOM 1278 CD GLU A 81 20.541 -11.450 7.191 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.491 -11.983 7.801 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.714 -12.096 6.514 1.00 0.00 O ATOM 0 H GLU A 81 19.695 -7.386 6.514 1.00 0.00 H new ATOM 0 HA GLU A 81 22.052 -7.877 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.921 -9.118 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.267 -9.792 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.534 -9.624 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.363 -9.674 7.003 1.00 0.00 H new ATOM 1287 N MET A 82 22.508 -6.698 4.872 1.00 0.00 N ATOM 1288 CA MET A 82 23.499 -6.111 3.976 1.00 0.00 C ATOM 1289 C MET A 82 23.286 -4.607 3.841 1.00 0.00 C ATOM 1290 O MET A 82 23.701 -3.998 2.854 1.00 0.00 O ATOM 1291 CB MET A 82 23.428 -6.774 2.599 1.00 0.00 C ATOM 1292 CG MET A 82 22.138 -6.484 1.851 1.00 0.00 C ATOM 1293 SD MET A 82 22.344 -6.546 0.060 1.00 0.00 S ATOM 1294 CE MET A 82 21.882 -4.876 -0.392 1.00 0.00 C ATOM 0 H MET A 82 21.550 -6.663 4.523 1.00 0.00 H new ATOM 0 HA MET A 82 24.487 -6.283 4.404 1.00 0.00 H new ATOM 0 HB2 MET A 82 24.271 -6.435 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.535 -7.852 2.718 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.379 -7.206 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.771 -5.498 2.137 1.00 0.00 H new ATOM 0 HE1 MET A 82 21.959 -4.757 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.856 -4.685 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 82 22.550 -4.168 0.099 1.00 0.00 H new ATOM 1304 N CYS A 83 22.639 -4.013 4.838 1.00 0.00 N ATOM 1305 CA CYS A 83 22.370 -2.580 4.830 1.00 0.00 C ATOM 1306 C CYS A 83 23.587 -1.797 5.315 1.00 0.00 C ATOM 1307 O CYS A 83 24.271 -2.187 6.261 1.00 0.00 O ATOM 1308 CB CYS A 83 21.161 -2.262 5.711 1.00 0.00 C ATOM 1309 SG CYS A 83 20.983 -0.496 6.120 1.00 0.00 S ATOM 0 H CYS A 83 22.291 -4.502 5.662 1.00 0.00 H new ATOM 0 HA CYS A 83 22.152 -2.281 3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.257 -2.600 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.239 -2.832 6.637 1.00 0.00 H new ATOM 0 HG CYS A 83 19.722 -0.182 6.146 1.00 0.00 H new ATOM 1314 N PRO A 84 23.863 -0.664 4.652 1.00 0.00 N ATOM 1315 CA PRO A 84 24.997 0.199 4.998 1.00 0.00 C ATOM 1316 C PRO A 84 24.797 0.912 6.331 1.00 0.00 C ATOM 1317 O PRO A 84 25.718 1.000 7.142 1.00 0.00 O ATOM 1318 CB PRO A 84 25.035 1.211 3.850 1.00 0.00 C ATOM 1319 CG PRO A 84 23.638 1.251 3.333 1.00 0.00 C ATOM 1320 CD PRO A 84 23.090 -0.138 3.514 1.00 0.00 C ATOM 0 HA PRO A 84 25.920 -0.368 5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 84 25.356 2.193 4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 84 25.736 0.903 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.040 1.981 3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 84 23.618 1.545 2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.021 -0.124 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.229 -0.745 2.619 1.00 0.00 H new ATOM 1328 N ALA A 85 23.588 1.420 6.549 1.00 0.00 N ATOM 1329 CA ALA A 85 23.268 2.123 7.785 1.00 0.00 C ATOM 1330 C ALA A 85 23.371 1.193 8.989 1.00 0.00 C ATOM 1331 O ALA A 85 23.629 1.636 10.108 1.00 0.00 O ATOM 1332 CB ALA A 85 21.874 2.728 7.702 1.00 0.00 C ATOM 0 H ALA A 85 22.815 1.358 5.886 1.00 0.00 H new ATOM 0 HA ALA A 85 23.994 2.925 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.648 3.250 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 85 21.832 3.432 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.142 1.936 7.544 1.00 0.00 H new ATOM 1338 N SER A 86 23.168 -0.099 8.752 1.00 0.00 N ATOM 1339 CA SER A 86 23.235 -1.092 9.818 1.00 0.00 C ATOM 1340 C SER A 86 24.669 -1.270 10.306 1.00 0.00 C ATOM 1341 O SER A 86 24.910 -1.863 11.357 1.00 0.00 O ATOM 1342 CB SER A 86 22.679 -2.431 9.332 1.00 0.00 C ATOM 1343 OG SER A 86 21.267 -2.472 9.451 1.00 0.00 O ATOM 0 H SER A 86 22.956 -0.483 7.831 1.00 0.00 H new ATOM 0 HA SER A 86 22.629 -0.736 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.964 -2.590 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.119 -3.243 9.911 1.00 0.00 H new ATOM 0 HG SER A 86 20.937 -3.338 9.132 1.00 0.00 H new