USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=25 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 -137:sc= -0.788! USER MOD Set 1.2: A 62 ASN : amide:sc= -4.07! C(o=-5.7!,f=-11!) USER MOD Set 1.3: A 67 CYS SG : rot 145:sc= 0.36 USER MOD Set 1.4: A 79 HIS : no HD1:sc= -1.25 K(o=-5.7,f=-7.2) USER MOD Set 1.5: A 83 CYS SG : rot 143:sc= -0.0591 USER MOD Set 1.6: A 86 SER OG : rot 166:sc= 0.0841 USER MOD Set 2.1: A 74 ASN : amide:sc= -0.654 K(o=-0.65,f=-1.7!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Set 3.1: A 33 CYS SG : rot 170:sc= -1.54 USER MOD Set 3.2: A 37 CYS SG : rot 52:sc= 0.151 USER MOD Set 3.3: A 49 HIS : no HE2:sc= -11.4! C(o=-13!,f=-14!) USER MOD Set 3.4: A 53 CYS SG : rot 85:sc= -0.717 USER MOD Set 4.1: A 7 HIS : no HD1:sc= -2.99! K(o=-9.9!,f=-6.3) USER MOD Set 4.2: A 9 HIS : no HE2:sc= -3.64! C(o=-9.9!,f=-6.3!) USER MOD Set 4.3: A 10 CYS SG : rot 138:sc= -1.27 USER MOD Set 4.4: A 13 CYS SG : rot -158:sc= 0.00582 USER MOD Set 4.5: A 18 CYS SG : rot 145:sc= 0.408 USER MOD Set 4.6: A 20 THR OG1 : rot 94:sc= -0.16 USER MOD Set 4.7: A 27 SER OG : rot 180:sc= -0.506 USER MOD Set 4.8: A 28 CYS SG : rot -65:sc= -0.298 USER MOD Set 4.9: A 42 HIS : no HE2:sc= -1.03 K(o=-9.9,f=-11) USER MOD Set 4.10: A 43 SER OG : rot -49:sc= 0.015 USER MOD Set 4.11: A 44 CYS SG : rot -156:sc= -0.581 USER MOD Set 4.12: A 45 LYS NZ :NH3+ 180:sc= 0.109 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -6.92! C(o=-6.9!,f=-10!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 163:sc=-0.00845 (180deg=-0.194) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 44:sc= 0.0148 USER MOD Single : A 71 MET CE :methyl -159:sc= -2.78 (180deg=-4.04) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -14.250 10.214 6.193 1.00 0.00 N ATOM 148 CA GLN A 6 -14.309 8.913 6.849 1.00 0.00 C ATOM 149 C GLN A 6 -15.715 8.329 6.774 1.00 0.00 C ATOM 150 O GLN A 6 -16.657 9.002 6.355 1.00 0.00 O ATOM 151 CB GLN A 6 -13.871 9.035 8.310 1.00 0.00 C ATOM 152 CG GLN A 6 -14.897 9.722 9.197 1.00 0.00 C ATOM 153 CD GLN A 6 -14.374 9.990 10.594 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.310 9.501 10.976 1.00 0.00 O ATOM 155 NE2 GLN A 6 -15.120 10.771 11.367 1.00 0.00 N ATOM 0 HA GLN A 6 -13.628 8.240 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.670 8.039 8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.934 9.590 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.196 10.664 8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.791 9.101 9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.995 11.155 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.818 10.986 12.317 1.00 0.00 H new ATOM 164 N HIS A 7 -15.851 7.071 7.183 1.00 0.00 N ATOM 165 CA HIS A 7 -17.144 6.395 7.162 1.00 0.00 C ATOM 166 C HIS A 7 -17.521 5.902 8.556 1.00 0.00 C ATOM 167 O HIS A 7 -16.885 4.999 9.099 1.00 0.00 O ATOM 168 CB HIS A 7 -17.113 5.221 6.184 1.00 0.00 C ATOM 169 CG HIS A 7 -17.110 5.640 4.746 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.416 4.962 3.766 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.723 6.673 4.123 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.601 5.561 2.603 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.391 6.603 2.793 1.00 0.00 N ATOM 0 H HIS A 7 -15.082 6.499 7.533 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.897 7.112 6.833 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.226 4.618 6.380 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.978 4.584 6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.356 7.415 4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.179 5.252 1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.703 7.250 2.069 1.00 0.00 H new ATOM 181 N SER A 8 -18.560 6.501 9.129 1.00 0.00 N ATOM 182 CA SER A 8 -19.019 6.126 10.461 1.00 0.00 C ATOM 183 C SER A 8 -18.840 4.629 10.696 1.00 0.00 C ATOM 184 O SER A 8 -18.378 4.206 11.756 1.00 0.00 O ATOM 185 CB SER A 8 -20.489 6.511 10.644 1.00 0.00 C ATOM 186 OG SER A 8 -20.935 6.211 11.955 1.00 0.00 O ATOM 0 H SER A 8 -19.100 7.248 8.692 1.00 0.00 H new ATOM 0 HA SER A 8 -18.416 6.665 11.192 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.617 7.576 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.101 5.977 9.917 1.00 0.00 H new ATOM 0 HG SER A 8 -21.876 6.468 12.047 1.00 0.00 H new ATOM 192 N HIS A 9 -19.211 3.832 9.699 1.00 0.00 N ATOM 193 CA HIS A 9 -19.091 2.381 9.795 1.00 0.00 C ATOM 194 C HIS A 9 -17.627 1.954 9.769 1.00 0.00 C ATOM 195 O HIS A 9 -17.094 1.466 10.767 1.00 0.00 O ATOM 196 CB HIS A 9 -19.851 1.709 8.651 1.00 0.00 C ATOM 197 CG HIS A 9 -19.525 0.256 8.488 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.279 -0.752 9.051 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.520 -0.356 7.819 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.751 -1.921 8.737 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.683 -1.709 7.989 1.00 0.00 N ATOM 0 H HIS A 9 -19.597 4.166 8.816 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.526 2.067 10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.922 1.815 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.626 2.230 7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.114 -0.616 9.621 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.736 0.129 7.256 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.128 -2.886 9.040 1.00 0.00 H new ATOM 209 N CYS A 10 -16.981 2.140 8.623 1.00 0.00 N ATOM 210 CA CYS A 10 -15.579 1.773 8.466 1.00 0.00 C ATOM 211 C CYS A 10 -14.763 2.211 9.679 1.00 0.00 C ATOM 212 O CYS A 10 -14.086 1.400 10.311 1.00 0.00 O ATOM 213 CB CYS A 10 -15.004 2.403 7.196 1.00 0.00 C ATOM 214 SG CYS A 10 -15.989 2.086 5.697 1.00 0.00 S ATOM 0 H CYS A 10 -17.407 2.543 7.788 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.521 0.688 8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.922 3.480 7.343 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.994 2.024 7.041 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.063 3.173 4.988 1.00 0.00 H new ATOM 219 N VAL A 11 -14.834 3.499 9.999 1.00 0.00 N ATOM 220 CA VAL A 11 -14.103 4.046 11.136 1.00 0.00 C ATOM 221 C VAL A 11 -14.261 3.160 12.367 1.00 0.00 C ATOM 222 O VAL A 11 -13.391 3.128 13.236 1.00 0.00 O ATOM 223 CB VAL A 11 -14.580 5.470 11.477 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.497 6.369 10.253 1.00 0.00 C ATOM 225 CG2 VAL A 11 -15.997 5.439 12.031 1.00 0.00 C ATOM 0 H VAL A 11 -15.390 4.183 9.487 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.052 4.082 10.850 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.923 5.880 12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.838 7.371 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.465 6.416 9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.128 5.965 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.318 6.454 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.669 5.009 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.021 4.832 12.936 1.00 0.00 H new ATOM 235 N ASN A 12 -15.377 2.442 12.434 1.00 0.00 N ATOM 236 CA ASN A 12 -15.649 1.555 13.559 1.00 0.00 C ATOM 237 C ASN A 12 -15.823 0.115 13.087 1.00 0.00 C ATOM 238 O ASN A 12 -16.645 -0.630 13.621 1.00 0.00 O ATOM 239 CB ASN A 12 -16.904 2.014 14.305 1.00 0.00 C ATOM 240 CG ASN A 12 -18.166 1.827 13.484 1.00 0.00 C ATOM 241 OD1 ASN A 12 -18.295 0.858 12.736 1.00 0.00 O ATOM 242 ND2 ASN A 12 -19.104 2.757 13.622 1.00 0.00 N ATOM 0 H ASN A 12 -16.108 2.457 11.723 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.796 1.596 14.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.994 1.456 15.237 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.800 3.066 14.572 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.975 2.685 13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.953 3.543 14.254 1.00 0.00 H new ATOM 249 N CYS A 13 -15.044 -0.271 12.082 1.00 0.00 N ATOM 250 CA CYS A 13 -15.110 -1.621 11.537 1.00 0.00 C ATOM 251 C CYS A 13 -13.722 -2.253 11.479 1.00 0.00 C ATOM 252 O CYS A 13 -12.812 -1.721 10.843 1.00 0.00 O ATOM 253 CB CYS A 13 -15.731 -1.599 10.139 1.00 0.00 C ATOM 254 SG CYS A 13 -15.851 -3.238 9.353 1.00 0.00 S ATOM 0 H CYS A 13 -14.359 0.333 11.628 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.736 -2.222 12.196 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.729 -1.165 10.203 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.139 -0.944 9.500 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.939 -3.096 8.064 1.00 0.00 H new ATOM 259 N VAL A 14 -13.568 -3.392 12.147 1.00 0.00 N ATOM 260 CA VAL A 14 -12.292 -4.098 12.170 1.00 0.00 C ATOM 261 C VAL A 14 -12.405 -5.459 11.493 1.00 0.00 C ATOM 262 O VAL A 14 -11.417 -6.001 10.998 1.00 0.00 O ATOM 263 CB VAL A 14 -11.786 -4.294 13.612 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.469 -2.952 14.254 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.811 -5.059 14.436 1.00 0.00 C ATOM 0 H VAL A 14 -14.311 -3.845 12.679 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.579 -3.482 11.623 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.868 -4.880 13.580 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.113 -3.111 15.272 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.697 -2.445 13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.369 -2.338 14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.438 -5.189 15.452 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.747 -4.501 14.462 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.984 -6.036 13.985 1.00 0.00 H new ATOM 275 N SER A 15 -13.616 -6.006 11.475 1.00 0.00 N ATOM 276 CA SER A 15 -13.858 -7.307 10.861 1.00 0.00 C ATOM 277 C SER A 15 -13.375 -7.322 9.414 1.00 0.00 C ATOM 278 O SER A 15 -13.791 -6.496 8.601 1.00 0.00 O ATOM 279 CB SER A 15 -15.347 -7.652 10.918 1.00 0.00 C ATOM 280 OG SER A 15 -15.684 -8.256 12.155 1.00 0.00 O ATOM 0 H SER A 15 -14.445 -5.569 11.878 1.00 0.00 H new ATOM 0 HA SER A 15 -13.298 -8.056 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.939 -6.747 10.778 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.599 -8.327 10.100 1.00 0.00 H new ATOM 0 HG SER A 15 -16.641 -8.465 12.167 1.00 0.00 H new ATOM 286 N ARG A 16 -12.496 -8.268 9.100 1.00 0.00 N ATOM 287 CA ARG A 16 -11.955 -8.391 7.752 1.00 0.00 C ATOM 288 C ARG A 16 -13.048 -8.783 6.761 1.00 0.00 C ATOM 289 O ARG A 16 -13.282 -8.087 5.773 1.00 0.00 O ATOM 290 CB ARG A 16 -10.831 -9.428 7.723 1.00 0.00 C ATOM 291 CG ARG A 16 -10.340 -9.756 6.322 1.00 0.00 C ATOM 292 CD ARG A 16 -9.337 -10.899 6.337 1.00 0.00 C ATOM 293 NE ARG A 16 -9.899 -12.113 6.923 1.00 0.00 N ATOM 294 CZ ARG A 16 -9.895 -12.369 8.227 1.00 0.00 C ATOM 295 NH1 ARG A 16 -9.362 -11.501 9.075 1.00 0.00 N ATOM 296 NH2 ARG A 16 -10.426 -13.496 8.684 1.00 0.00 N ATOM 0 H ARG A 16 -12.143 -8.960 9.761 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.553 -7.421 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.993 -9.060 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.181 -10.344 8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.188 -10.023 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.880 -8.872 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.009 -11.107 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.454 -10.599 6.902 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.317 -12.802 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.953 -10.634 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.361 -11.700 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.837 -14.166 8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.423 -13.692 9.685 1.00 0.00 H new ATOM 310 N ARG A 17 -13.713 -9.901 7.033 1.00 0.00 N ATOM 311 CA ARG A 17 -14.779 -10.386 6.166 1.00 0.00 C ATOM 312 C ARG A 17 -16.079 -9.630 6.426 1.00 0.00 C ATOM 313 O ARG A 17 -17.153 -10.226 6.500 1.00 0.00 O ATOM 314 CB ARG A 17 -14.998 -11.885 6.380 1.00 0.00 C ATOM 315 CG ARG A 17 -15.645 -12.581 5.193 1.00 0.00 C ATOM 316 CD ARG A 17 -14.605 -13.063 4.194 1.00 0.00 C ATOM 317 NE ARG A 17 -15.179 -13.958 3.194 1.00 0.00 N ATOM 318 CZ ARG A 17 -14.479 -14.499 2.203 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.186 -14.237 2.081 1.00 0.00 N ATOM 320 NH2 ARG A 17 -15.074 -15.305 1.332 1.00 0.00 N ATOM 0 H ARG A 17 -13.532 -10.488 7.847 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.478 -10.213 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.038 -12.358 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.623 -12.030 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.234 -13.428 5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.334 -11.896 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.156 -12.204 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.804 -13.578 4.725 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.172 -14.180 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.726 -13.619 2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.651 -14.654 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.069 -15.509 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.536 -15.720 0.571 1.00 0.00 H new ATOM 334 N CYS A 18 -15.973 -8.312 6.566 1.00 0.00 N ATOM 335 CA CYS A 18 -17.138 -7.473 6.819 1.00 0.00 C ATOM 336 C CYS A 18 -18.138 -7.571 5.671 1.00 0.00 C ATOM 337 O CYS A 18 -17.831 -7.213 4.535 1.00 0.00 O ATOM 338 CB CYS A 18 -16.711 -6.017 7.016 1.00 0.00 C ATOM 339 SG CYS A 18 -17.978 -4.800 6.537 1.00 0.00 S ATOM 0 H CYS A 18 -15.091 -7.802 6.508 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.621 -7.829 7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.453 -5.864 8.064 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.807 -5.833 6.435 1.00 0.00 H new ATOM 0 HG CYS A 18 -17.918 -3.775 7.334 1.00 0.00 H new ATOM 344 N MET A 19 -19.336 -8.058 5.978 1.00 0.00 N ATOM 345 CA MET A 19 -20.383 -8.201 4.972 1.00 0.00 C ATOM 346 C MET A 19 -21.502 -7.192 5.205 1.00 0.00 C ATOM 347 O MET A 19 -22.683 -7.518 5.079 1.00 0.00 O ATOM 348 CB MET A 19 -20.949 -9.622 4.993 1.00 0.00 C ATOM 349 CG MET A 19 -21.798 -9.920 6.219 1.00 0.00 C ATOM 350 SD MET A 19 -21.832 -11.675 6.630 1.00 0.00 S ATOM 351 CE MET A 19 -20.195 -11.891 7.325 1.00 0.00 C ATOM 0 H MET A 19 -19.606 -8.360 6.914 1.00 0.00 H new ATOM 0 HA MET A 19 -19.942 -8.008 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.551 -9.778 4.098 1.00 0.00 H new ATOM 0 HB3 MET A 19 -20.124 -10.333 4.951 1.00 0.00 H new ATOM 0 HG2 MET A 19 -21.411 -9.359 7.070 1.00 0.00 H new ATOM 0 HG3 MET A 19 -22.816 -9.572 6.045 1.00 0.00 H new ATOM 0 HE1 MET A 19 -20.161 -12.820 7.894 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.461 -11.931 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.966 -11.054 7.984 1.00 0.00 H new ATOM 361 N THR A 20 -21.124 -5.963 5.546 1.00 0.00 N ATOM 362 CA THR A 20 -22.096 -4.907 5.798 1.00 0.00 C ATOM 363 C THR A 20 -22.459 -4.176 4.511 1.00 0.00 C ATOM 364 O THR A 20 -21.589 -3.857 3.700 1.00 0.00 O ATOM 365 CB THR A 20 -21.564 -3.887 6.822 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.362 -4.524 8.089 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.534 -2.726 6.983 1.00 0.00 C ATOM 0 H THR A 20 -20.151 -5.675 5.654 1.00 0.00 H new ATOM 0 HA THR A 20 -22.987 -5.387 6.204 1.00 0.00 H new ATOM 0 HB THR A 20 -20.614 -3.499 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.433 -4.828 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.137 -2.019 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.664 -2.225 6.024 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.497 -3.102 7.330 1.00 0.00 H new ATOM 375 N ARG A 21 -23.749 -3.911 4.329 1.00 0.00 N ATOM 376 CA ARG A 21 -24.227 -3.217 3.140 1.00 0.00 C ATOM 377 C ARG A 21 -23.566 -1.848 3.007 1.00 0.00 C ATOM 378 O ARG A 21 -23.690 -0.985 3.875 1.00 0.00 O ATOM 379 CB ARG A 21 -25.747 -3.058 3.192 1.00 0.00 C ATOM 380 CG ARG A 21 -26.368 -2.689 1.854 1.00 0.00 C ATOM 381 CD ARG A 21 -27.887 -2.723 1.916 1.00 0.00 C ATOM 382 NE ARG A 21 -28.404 -4.089 1.901 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.611 -4.808 2.999 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.346 -4.295 4.192 1.00 0.00 N ATOM 385 NH2 ARG A 21 -29.085 -6.044 2.903 1.00 0.00 N ATOM 0 H ARG A 21 -24.482 -4.167 4.991 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.961 -3.816 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.189 -3.990 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.999 -2.290 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.037 -1.693 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.019 -3.380 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.224 -2.217 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.297 -2.171 1.070 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.618 -4.514 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -27.982 -3.345 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -28.506 -4.850 5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.290 -6.442 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.244 -6.596 3.746 1.00 0.00 H new ATOM 399 N PRO A 22 -22.846 -1.644 1.894 1.00 0.00 N ATOM 400 CA PRO A 22 -22.151 -0.383 1.620 1.00 0.00 C ATOM 401 C PRO A 22 -23.117 0.758 1.322 1.00 0.00 C ATOM 402 O PRO A 22 -23.897 0.691 0.373 1.00 0.00 O ATOM 403 CB PRO A 22 -21.305 -0.704 0.385 1.00 0.00 C ATOM 404 CG PRO A 22 -22.025 -1.823 -0.286 1.00 0.00 C ATOM 405 CD PRO A 22 -22.655 -2.629 0.816 1.00 0.00 C ATOM 0 HA PRO A 22 -21.568 -0.045 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.219 0.162 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.292 -0.995 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.781 -1.444 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.338 -2.433 -0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.601 -3.069 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.011 -3.450 1.132 1.00 0.00 H new ATOM 413 N GLU A 23 -23.059 1.806 2.139 1.00 0.00 N ATOM 414 CA GLU A 23 -23.931 2.961 1.961 1.00 0.00 C ATOM 415 C GLU A 23 -23.164 4.133 1.355 1.00 0.00 C ATOM 416 O GLU A 23 -21.933 4.172 1.361 1.00 0.00 O ATOM 417 CB GLU A 23 -24.543 3.377 3.301 1.00 0.00 C ATOM 418 CG GLU A 23 -25.898 2.746 3.572 1.00 0.00 C ATOM 419 CD GLU A 23 -26.790 2.729 2.346 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.698 1.763 1.560 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.578 3.682 2.171 1.00 0.00 O ATOM 0 H GLU A 23 -22.418 1.878 2.929 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.730 2.679 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.858 3.105 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.646 4.462 3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.755 1.725 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.396 3.294 4.372 1.00 0.00 H new ATOM 428 N PRO A 24 -23.907 5.111 0.817 1.00 0.00 N ATOM 429 CA PRO A 24 -23.319 6.302 0.196 1.00 0.00 C ATOM 430 C PRO A 24 -22.666 7.226 1.218 1.00 0.00 C ATOM 431 O PRO A 24 -22.360 8.380 0.920 1.00 0.00 O ATOM 432 CB PRO A 24 -24.520 6.991 -0.458 1.00 0.00 C ATOM 433 CG PRO A 24 -25.696 6.533 0.334 1.00 0.00 C ATOM 434 CD PRO A 24 -25.379 5.131 0.774 1.00 0.00 C ATOM 0 HA PRO A 24 -22.524 6.046 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.420 8.076 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.615 6.710 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.865 7.183 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.605 6.557 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.812 4.908 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.771 4.392 0.075 1.00 0.00 H new ATOM 442 N GLY A 25 -22.455 6.711 2.425 1.00 0.00 N ATOM 443 CA GLY A 25 -21.839 7.504 3.473 1.00 0.00 C ATOM 444 C GLY A 25 -21.487 6.678 4.694 1.00 0.00 C ATOM 445 O GLY A 25 -20.342 6.687 5.149 1.00 0.00 O ATOM 0 H GLY A 25 -22.700 5.759 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.936 7.975 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.517 8.306 3.764 1.00 0.00 H new ATOM 449 N ILE A 26 -22.472 5.965 5.228 1.00 0.00 N ATOM 450 CA ILE A 26 -22.261 5.131 6.405 1.00 0.00 C ATOM 451 C ILE A 26 -21.094 4.171 6.195 1.00 0.00 C ATOM 452 O ILE A 26 -20.063 4.276 6.860 1.00 0.00 O ATOM 453 CB ILE A 26 -23.522 4.319 6.754 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.558 5.215 7.436 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.164 3.141 7.647 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.139 6.271 6.522 1.00 0.00 C ATOM 0 H ILE A 26 -23.425 5.948 4.864 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.032 5.804 7.232 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.954 3.932 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.367 4.594 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.096 5.703 8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.066 2.577 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.457 2.493 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.712 3.507 8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.866 6.869 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.340 6.916 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.631 5.790 5.677 1.00 0.00 H new ATOM 468 N SER A 27 -21.264 3.235 5.266 1.00 0.00 N ATOM 469 CA SER A 27 -20.227 2.255 4.970 1.00 0.00 C ATOM 470 C SER A 27 -19.954 2.188 3.470 1.00 0.00 C ATOM 471 O SER A 27 -20.798 2.565 2.656 1.00 0.00 O ATOM 472 CB SER A 27 -20.637 0.875 5.487 1.00 0.00 C ATOM 473 OG SER A 27 -19.658 -0.100 5.171 1.00 0.00 O ATOM 0 H SER A 27 -22.111 3.135 4.706 1.00 0.00 H new ATOM 0 HA SER A 27 -19.313 2.567 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.779 0.915 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.594 0.589 5.050 1.00 0.00 H new ATOM 0 HG SER A 27 -19.943 -0.973 5.514 1.00 0.00 H new ATOM 479 N CYS A 28 -18.769 1.707 3.111 1.00 0.00 N ATOM 480 CA CYS A 28 -18.382 1.590 1.711 1.00 0.00 C ATOM 481 C CYS A 28 -18.023 0.149 1.363 1.00 0.00 C ATOM 482 O CYS A 28 -17.947 -0.712 2.241 1.00 0.00 O ATOM 483 CB CYS A 28 -17.197 2.509 1.409 1.00 0.00 C ATOM 484 SG CYS A 28 -15.609 1.919 2.079 1.00 0.00 S ATOM 0 H CYS A 28 -18.059 1.391 3.772 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.233 1.891 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.104 2.621 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.406 3.499 1.816 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.657 1.925 3.378 1.00 0.00 H new ATOM 489 N ASP A 29 -17.804 -0.107 0.078 1.00 0.00 N ATOM 490 CA ASP A 29 -17.452 -1.444 -0.386 1.00 0.00 C ATOM 491 C ASP A 29 -16.062 -1.841 0.103 1.00 0.00 C ATOM 492 O ASP A 29 -15.198 -0.987 0.307 1.00 0.00 O ATOM 493 CB ASP A 29 -17.507 -1.508 -1.913 1.00 0.00 C ATOM 494 CG ASP A 29 -18.779 -0.902 -2.472 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.821 -1.590 -2.456 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.733 0.260 -2.928 1.00 0.00 O ATOM 0 H ASP A 29 -17.864 0.594 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.176 -2.147 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.646 -0.984 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.432 -2.547 -2.233 1.00 0.00 H new ATOM 501 N LEU A 30 -15.854 -3.139 0.288 1.00 0.00 N ATOM 502 CA LEU A 30 -14.569 -3.649 0.754 1.00 0.00 C ATOM 503 C LEU A 30 -13.701 -4.090 -0.420 1.00 0.00 C ATOM 504 O LEU A 30 -14.195 -4.669 -1.388 1.00 0.00 O ATOM 505 CB LEU A 30 -14.781 -4.821 1.715 1.00 0.00 C ATOM 506 CG LEU A 30 -14.926 -4.458 3.193 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.575 -5.599 3.961 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.571 -4.113 3.793 1.00 0.00 C ATOM 0 H LEU A 30 -16.558 -3.858 0.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.055 -2.844 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.675 -5.362 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.941 -5.507 1.611 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.569 -3.582 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.670 -5.323 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.563 -5.800 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.957 -6.493 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.694 -3.857 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.904 -4.971 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.143 -3.264 3.261 1.00 0.00 H new ATOM 520 N ILE A 31 -12.404 -3.815 -0.326 1.00 0.00 N ATOM 521 CA ILE A 31 -11.467 -4.186 -1.379 1.00 0.00 C ATOM 522 C ILE A 31 -10.198 -4.799 -0.794 1.00 0.00 C ATOM 523 O ILE A 31 -9.686 -4.337 0.224 1.00 0.00 O ATOM 524 CB ILE A 31 -11.085 -2.972 -2.246 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.468 -1.872 -1.380 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.304 -2.447 -2.989 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.986 -2.055 -1.136 1.00 0.00 C ATOM 0 H ILE A 31 -11.979 -3.337 0.468 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.970 -4.924 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.344 -3.288 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.633 -0.907 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.985 -1.843 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.018 -1.589 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.703 -3.231 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.066 -2.144 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.616 -1.239 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.815 -3.004 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.457 -2.054 -2.089 1.00 0.00 H new ATOM 539 N GLY A 32 -9.695 -5.841 -1.449 1.00 0.00 N ATOM 540 CA GLY A 32 -8.490 -6.499 -0.980 1.00 0.00 C ATOM 541 C GLY A 32 -7.235 -5.717 -1.314 1.00 0.00 C ATOM 542 O GLY A 32 -7.153 -5.080 -2.365 1.00 0.00 O ATOM 0 H GLY A 32 -10.100 -6.241 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.552 -6.637 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.425 -7.492 -1.425 1.00 0.00 H new ATOM 546 N CYS A 33 -6.255 -5.762 -0.418 1.00 0.00 N ATOM 547 CA CYS A 33 -4.999 -5.051 -0.621 1.00 0.00 C ATOM 548 C CYS A 33 -4.473 -5.268 -2.036 1.00 0.00 C ATOM 549 O CYS A 33 -4.443 -6.387 -2.549 1.00 0.00 O ATOM 550 CB CYS A 33 -3.956 -5.513 0.399 1.00 0.00 C ATOM 551 SG CYS A 33 -2.540 -4.382 0.580 1.00 0.00 S ATOM 0 H CYS A 33 -6.307 -6.284 0.457 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.187 -3.986 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.439 -5.631 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.587 -6.496 0.105 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.825 -4.743 1.604 1.00 0.00 H new ATOM 556 N PRO A 34 -4.048 -4.174 -2.684 1.00 0.00 N ATOM 557 CA PRO A 34 -3.515 -4.218 -4.049 1.00 0.00 C ATOM 558 C PRO A 34 -2.156 -4.907 -4.118 1.00 0.00 C ATOM 559 O PRO A 34 -1.607 -5.112 -5.201 1.00 0.00 O ATOM 560 CB PRO A 34 -3.385 -2.741 -4.428 1.00 0.00 C ATOM 561 CG PRO A 34 -3.239 -2.028 -3.128 1.00 0.00 C ATOM 562 CD PRO A 34 -4.054 -2.808 -2.134 1.00 0.00 C ATOM 0 HA PRO A 34 -4.158 -4.789 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.522 -2.572 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.262 -2.394 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.193 -1.981 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.595 -1.001 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.613 -2.774 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.067 -2.414 -2.048 1.00 0.00 H new ATOM 570 N LEU A 35 -1.618 -5.262 -2.956 1.00 0.00 N ATOM 571 CA LEU A 35 -0.322 -5.928 -2.885 1.00 0.00 C ATOM 572 C LEU A 35 -0.478 -7.373 -2.420 1.00 0.00 C ATOM 573 O LEU A 35 0.486 -8.004 -1.987 1.00 0.00 O ATOM 574 CB LEU A 35 0.611 -5.173 -1.937 1.00 0.00 C ATOM 575 CG LEU A 35 0.943 -3.733 -2.329 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.569 -2.992 -1.157 1.00 0.00 C ATOM 577 CD2 LEU A 35 1.871 -3.709 -3.534 1.00 0.00 C ATOM 0 H LEU A 35 -2.059 -5.100 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 35 0.112 -5.932 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.159 -5.163 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.544 -5.731 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 35 0.016 -3.227 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.799 -1.969 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.871 -2.979 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.487 -3.497 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.097 -2.676 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.796 -4.232 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.386 -4.202 -4.377 1.00 0.00 H new ATOM 589 N VAL A 36 -1.698 -7.891 -2.514 1.00 0.00 N ATOM 590 CA VAL A 36 -1.980 -9.262 -2.106 1.00 0.00 C ATOM 591 C VAL A 36 -1.327 -9.582 -0.766 1.00 0.00 C ATOM 592 O VAL A 36 -0.882 -10.706 -0.533 1.00 0.00 O ATOM 593 CB VAL A 36 -1.489 -10.273 -3.159 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.115 -9.980 -4.514 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.030 -10.253 -3.248 1.00 0.00 C ATOM 0 H VAL A 36 -2.507 -7.382 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.062 -9.347 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.799 -11.272 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.756 -10.705 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.200 -10.050 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.838 -8.975 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.360 -10.973 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.365 -9.255 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.455 -10.516 -2.279 1.00 0.00 H new ATOM 605 N CYS A 37 -1.273 -8.587 0.112 1.00 0.00 N ATOM 606 CA CYS A 37 -0.674 -8.760 1.430 1.00 0.00 C ATOM 607 C CYS A 37 -1.434 -9.807 2.240 1.00 0.00 C ATOM 608 O CYS A 37 -0.877 -10.442 3.134 1.00 0.00 O ATOM 609 CB CYS A 37 -0.656 -7.430 2.185 1.00 0.00 C ATOM 610 SG CYS A 37 -2.210 -7.047 3.054 1.00 0.00 S ATOM 0 H CYS A 37 -1.637 -7.651 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 37 0.351 -9.105 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.158 -7.447 2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.439 -6.627 1.480 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.553 -8.058 3.796 1.00 0.00 H new ATOM 615 N GLY A 38 -2.713 -9.980 1.919 1.00 0.00 N ATOM 616 CA GLY A 38 -3.530 -10.950 2.625 1.00 0.00 C ATOM 617 C GLY A 38 -4.408 -10.309 3.681 1.00 0.00 C ATOM 618 O GLY A 38 -4.480 -10.788 4.812 1.00 0.00 O ATOM 0 H GLY A 38 -3.197 -9.466 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.157 -11.482 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.884 -11.691 3.095 1.00 0.00 H new ATOM 622 N ALA A 39 -5.077 -9.221 3.312 1.00 0.00 N ATOM 623 CA ALA A 39 -5.954 -8.514 4.236 1.00 0.00 C ATOM 624 C ALA A 39 -7.053 -7.768 3.486 1.00 0.00 C ATOM 625 O ALA A 39 -6.813 -7.189 2.427 1.00 0.00 O ATOM 626 CB ALA A 39 -5.150 -7.549 5.094 1.00 0.00 C ATOM 0 H ALA A 39 -5.028 -8.811 2.379 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.427 -9.251 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.818 -7.028 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.405 -8.104 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.649 -6.823 4.453 1.00 0.00 H new ATOM 632 N VAL A 40 -8.260 -7.785 4.044 1.00 0.00 N ATOM 633 CA VAL A 40 -9.396 -7.110 3.428 1.00 0.00 C ATOM 634 C VAL A 40 -9.813 -5.887 4.238 1.00 0.00 C ATOM 635 O VAL A 40 -10.224 -6.004 5.393 1.00 0.00 O ATOM 636 CB VAL A 40 -10.604 -8.056 3.289 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.771 -7.339 2.627 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.217 -9.300 2.504 1.00 0.00 C ATOM 0 H VAL A 40 -8.476 -8.259 4.921 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.076 -6.794 2.435 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.918 -8.366 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.615 -8.023 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.062 -6.481 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.473 -6.998 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.082 -9.958 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.877 -9.011 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.415 -9.824 3.024 1.00 0.00 H new ATOM 648 N PHE A 41 -9.706 -4.713 3.624 1.00 0.00 N ATOM 649 CA PHE A 41 -10.072 -3.468 4.288 1.00 0.00 C ATOM 650 C PHE A 41 -10.913 -2.588 3.368 1.00 0.00 C ATOM 651 O PHE A 41 -10.835 -2.697 2.144 1.00 0.00 O ATOM 652 CB PHE A 41 -8.816 -2.711 4.727 1.00 0.00 C ATOM 653 CG PHE A 41 -7.670 -2.844 3.766 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.547 -1.979 2.690 1.00 0.00 C ATOM 655 CD2 PHE A 41 -6.714 -3.832 3.939 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.494 -2.099 1.804 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.658 -3.957 3.056 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.547 -3.088 1.988 1.00 0.00 C ATOM 0 H PHE A 41 -9.369 -4.598 2.668 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.665 -3.716 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.060 -1.655 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.504 -3.077 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.283 -1.202 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.795 -4.512 4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.411 -1.420 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.921 -4.733 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.721 -3.182 1.298 1.00 0.00 H new ATOM 668 N HIS A 42 -11.719 -1.716 3.966 1.00 0.00 N ATOM 669 CA HIS A 42 -12.575 -0.816 3.202 1.00 0.00 C ATOM 670 C HIS A 42 -11.747 0.051 2.258 1.00 0.00 C ATOM 671 O HIS A 42 -10.726 0.613 2.652 1.00 0.00 O ATOM 672 CB HIS A 42 -13.391 0.069 4.144 1.00 0.00 C ATOM 673 CG HIS A 42 -14.577 -0.623 4.740 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.776 -0.771 4.075 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.744 -1.212 5.948 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.629 -1.419 4.847 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.028 -1.698 5.990 1.00 0.00 N ATOM 0 H HIS A 42 -11.797 -1.614 4.978 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.257 -1.422 2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.745 0.422 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.731 0.949 3.598 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -15.973 -0.433 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.005 -1.286 6.732 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.645 -1.677 4.588 1.00 0.00 H new ATOM 685 N SER A 43 -12.195 0.154 1.011 1.00 0.00 N ATOM 686 CA SER A 43 -11.493 0.949 0.010 1.00 0.00 C ATOM 687 C SER A 43 -10.972 2.248 0.616 1.00 0.00 C ATOM 688 O SER A 43 -9.845 2.665 0.346 1.00 0.00 O ATOM 689 CB SER A 43 -12.420 1.258 -1.168 1.00 0.00 C ATOM 690 OG SER A 43 -13.544 2.011 -0.748 1.00 0.00 O ATOM 0 H SER A 43 -13.041 -0.303 0.670 1.00 0.00 H new ATOM 0 HA SER A 43 -10.643 0.369 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.872 1.811 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.753 0.327 -1.627 1.00 0.00 H new ATOM 0 HG SER A 43 -13.942 1.591 0.043 1.00 0.00 H new ATOM 696 N CYS A 44 -11.800 2.884 1.438 1.00 0.00 N ATOM 697 CA CYS A 44 -11.425 4.137 2.083 1.00 0.00 C ATOM 698 C CYS A 44 -10.289 3.917 3.079 1.00 0.00 C ATOM 699 O CYS A 44 -9.403 4.759 3.224 1.00 0.00 O ATOM 700 CB CYS A 44 -12.632 4.748 2.797 1.00 0.00 C ATOM 701 SG CYS A 44 -13.133 3.859 4.306 1.00 0.00 S ATOM 0 H CYS A 44 -12.735 2.552 1.673 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.081 4.825 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.402 5.781 3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.475 4.773 2.106 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.389 4.089 4.548 1.00 0.00 H new ATOM 706 N LYS A 45 -10.322 2.778 3.763 1.00 0.00 N ATOM 707 CA LYS A 45 -9.296 2.445 4.744 1.00 0.00 C ATOM 708 C LYS A 45 -7.975 2.110 4.057 1.00 0.00 C ATOM 709 O LYS A 45 -6.902 2.434 4.565 1.00 0.00 O ATOM 710 CB LYS A 45 -9.749 1.263 5.604 1.00 0.00 C ATOM 711 CG LYS A 45 -10.928 1.584 6.506 1.00 0.00 C ATOM 712 CD LYS A 45 -10.514 2.460 7.676 1.00 0.00 C ATOM 713 CE LYS A 45 -11.723 3.008 8.418 1.00 0.00 C ATOM 714 NZ LYS A 45 -12.201 4.290 7.829 1.00 0.00 N ATOM 0 H LYS A 45 -11.048 2.070 3.656 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.143 3.315 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.017 0.432 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.913 0.930 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.702 2.089 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.363 0.658 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.895 1.883 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.902 3.287 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.528 2.274 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.466 3.163 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.026 4.631 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.441 4.998 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.470 4.137 6.836 1.00 0.00 H new ATOM 728 N ALA A 46 -8.062 1.462 2.901 1.00 0.00 N ATOM 729 CA ALA A 46 -6.874 1.087 2.143 1.00 0.00 C ATOM 730 C ALA A 46 -5.766 2.120 2.315 1.00 0.00 C ATOM 731 O ALA A 46 -4.714 1.828 2.885 1.00 0.00 O ATOM 732 CB ALA A 46 -7.218 0.919 0.671 1.00 0.00 C ATOM 0 H ALA A 46 -8.943 1.185 2.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.511 0.135 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.322 0.639 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.971 0.139 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.608 1.858 0.279 1.00 0.00 H new ATOM 738 N ASP A 47 -6.007 3.328 1.817 1.00 0.00 N ATOM 739 CA ASP A 47 -5.028 4.405 1.916 1.00 0.00 C ATOM 740 C ASP A 47 -4.294 4.351 3.252 1.00 0.00 C ATOM 741 O ASP A 47 -3.067 4.431 3.300 1.00 0.00 O ATOM 742 CB ASP A 47 -5.714 5.762 1.751 1.00 0.00 C ATOM 743 CG ASP A 47 -7.085 5.801 2.398 1.00 0.00 C ATOM 744 OD1 ASP A 47 -7.164 5.624 3.631 1.00 0.00 O ATOM 745 OD2 ASP A 47 -8.078 6.009 1.670 1.00 0.00 O ATOM 0 H ASP A 47 -6.871 3.586 1.341 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.299 4.275 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.087 6.538 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.810 5.991 0.690 1.00 0.00 H new ATOM 750 N GLU A 48 -5.054 4.216 4.334 1.00 0.00 N ATOM 751 CA GLU A 48 -4.474 4.154 5.671 1.00 0.00 C ATOM 752 C GLU A 48 -3.779 2.815 5.901 1.00 0.00 C ATOM 753 O GLU A 48 -2.593 2.767 6.227 1.00 0.00 O ATOM 754 CB GLU A 48 -5.557 4.368 6.731 1.00 0.00 C ATOM 755 CG GLU A 48 -5.923 5.827 6.941 1.00 0.00 C ATOM 756 CD GLU A 48 -5.014 6.519 7.939 1.00 0.00 C ATOM 757 OE1 GLU A 48 -5.209 6.321 9.156 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.108 7.259 7.501 1.00 0.00 O ATOM 0 H GLU A 48 -6.071 4.148 4.311 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.732 4.948 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.451 3.816 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.216 3.948 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.874 6.351 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.954 5.893 7.288 1.00 0.00 H new ATOM 765 N HIS A 49 -4.527 1.730 5.730 1.00 0.00 N ATOM 766 CA HIS A 49 -3.984 0.389 5.918 1.00 0.00 C ATOM 767 C HIS A 49 -2.585 0.281 5.319 1.00 0.00 C ATOM 768 O HIS A 49 -1.633 -0.091 6.005 1.00 0.00 O ATOM 769 CB HIS A 49 -4.906 -0.652 5.282 1.00 0.00 C ATOM 770 CG HIS A 49 -4.228 -1.956 4.994 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.243 -3.021 5.869 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.513 -2.364 3.919 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.565 -4.028 5.346 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.113 -3.655 4.162 1.00 0.00 N ATOM 0 H HIS A 49 -5.511 1.753 5.462 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.918 0.198 6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.752 -0.830 5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.310 -0.249 4.353 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.705 -3.031 6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.297 -1.782 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.407 -4.991 5.808 1.00 0.00 H new ATOM 782 N ARG A 50 -2.469 0.608 4.036 1.00 0.00 N ATOM 783 CA ARG A 50 -1.187 0.545 3.345 1.00 0.00 C ATOM 784 C ARG A 50 -0.047 0.950 4.275 1.00 0.00 C ATOM 785 O ARG A 50 1.001 0.303 4.309 1.00 0.00 O ATOM 786 CB ARG A 50 -1.202 1.453 2.114 1.00 0.00 C ATOM 787 CG ARG A 50 -2.153 0.986 1.024 1.00 0.00 C ATOM 788 CD ARG A 50 -2.355 2.057 -0.036 1.00 0.00 C ATOM 789 NE ARG A 50 -1.312 2.020 -1.058 1.00 0.00 N ATOM 790 CZ ARG A 50 -0.994 3.059 -1.822 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.635 4.211 -1.680 1.00 0.00 N ATOM 792 NH2 ARG A 50 -0.033 2.947 -2.730 1.00 0.00 N ATOM 0 H ARG A 50 -3.247 0.919 3.454 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.025 -0.485 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.481 2.461 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.194 1.512 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.759 0.082 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.114 0.724 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.329 1.922 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.364 3.039 0.438 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.800 1.148 -1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.374 4.301 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.389 5.007 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.462 2.062 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.210 3.745 -3.316 1.00 0.00 H new ATOM 806 N LEU A 51 -0.258 2.025 5.028 1.00 0.00 N ATOM 807 CA LEU A 51 0.751 2.517 5.958 1.00 0.00 C ATOM 808 C LEU A 51 1.275 1.389 6.841 1.00 0.00 C ATOM 809 O LEU A 51 2.485 1.184 6.953 1.00 0.00 O ATOM 810 CB LEU A 51 0.170 3.633 6.829 1.00 0.00 C ATOM 811 CG LEU A 51 -0.397 4.840 6.082 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.161 5.747 7.034 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.718 5.611 5.389 1.00 0.00 C ATOM 0 H LEU A 51 -1.119 2.572 5.012 1.00 0.00 H new ATOM 0 HA LEU A 51 1.582 2.914 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.621 3.209 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.950 3.983 7.505 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.090 4.479 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.557 6.601 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.984 5.192 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.490 6.100 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.296 6.467 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.435 5.960 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.222 4.959 4.676 1.00 0.00 H new ATOM 825 N LEU A 52 0.358 0.658 7.464 1.00 0.00 N ATOM 826 CA LEU A 52 0.726 -0.453 8.336 1.00 0.00 C ATOM 827 C LEU A 52 1.125 -1.677 7.518 1.00 0.00 C ATOM 828 O LEU A 52 2.102 -2.356 7.834 1.00 0.00 O ATOM 829 CB LEU A 52 -0.435 -0.803 9.267 1.00 0.00 C ATOM 830 CG LEU A 52 -1.078 0.369 10.009 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.168 1.005 9.160 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.641 -0.090 11.346 1.00 0.00 C ATOM 0 H LEU A 52 -0.647 0.814 7.382 1.00 0.00 H new ATOM 0 HA LEU A 52 1.583 -0.144 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.206 -1.303 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.079 -1.522 10.004 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.310 1.119 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.614 1.837 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.737 1.371 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.935 0.264 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.095 0.757 11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.395 -0.859 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.837 -0.498 11.959 1.00 0.00 H new ATOM 844 N CYS A 53 0.363 -1.952 6.465 1.00 0.00 N ATOM 845 CA CYS A 53 0.637 -3.094 5.600 1.00 0.00 C ATOM 846 C CYS A 53 2.138 -3.348 5.494 1.00 0.00 C ATOM 847 O CYS A 53 2.928 -2.446 5.215 1.00 0.00 O ATOM 848 CB CYS A 53 0.049 -2.857 4.207 1.00 0.00 C ATOM 849 SG CYS A 53 0.189 -4.288 3.089 1.00 0.00 S ATOM 0 H CYS A 53 -0.449 -1.400 6.190 1.00 0.00 H new ATOM 0 HA CYS A 53 0.168 -3.974 6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.003 -2.590 4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.552 -2.003 3.752 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.811 -5.094 3.289 1.00 0.00 H new ATOM 854 N PRO A 54 2.542 -4.607 5.721 1.00 0.00 N ATOM 855 CA PRO A 54 3.950 -5.010 5.656 1.00 0.00 C ATOM 856 C PRO A 54 4.494 -4.988 4.231 1.00 0.00 C ATOM 857 O PRO A 54 5.707 -4.968 4.020 1.00 0.00 O ATOM 858 CB PRO A 54 3.935 -6.440 6.201 1.00 0.00 C ATOM 859 CG PRO A 54 2.554 -6.933 5.934 1.00 0.00 C ATOM 860 CD PRO A 54 1.656 -5.733 6.058 1.00 0.00 C ATOM 0 HA PRO A 54 4.594 -4.333 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.680 -7.061 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.163 -6.460 7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.482 -7.373 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.271 -7.708 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.807 -5.794 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.250 -5.637 7.065 1.00 0.00 H new ATOM 868 N PHE A 55 3.590 -4.993 3.258 1.00 0.00 N ATOM 869 CA PHE A 55 3.980 -4.974 1.852 1.00 0.00 C ATOM 870 C PHE A 55 4.277 -3.551 1.389 1.00 0.00 C ATOM 871 O PHE A 55 5.311 -3.291 0.775 1.00 0.00 O ATOM 872 CB PHE A 55 2.875 -5.584 0.987 1.00 0.00 C ATOM 873 CG PHE A 55 2.967 -7.078 0.863 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.059 -7.876 1.992 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.960 -7.685 -0.383 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.145 -9.251 1.880 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.045 -9.059 -0.501 1.00 0.00 C ATOM 878 CZ PHE A 55 3.136 -9.843 0.632 1.00 0.00 C ATOM 0 H PHE A 55 2.582 -5.010 3.416 1.00 0.00 H new ATOM 0 HA PHE A 55 4.887 -5.569 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.906 -5.322 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.918 -5.141 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.064 -7.419 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.887 -7.077 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.219 -9.862 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.040 -9.519 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.200 -10.917 0.543 1.00 0.00 H new ATOM 888 N GLU A 56 3.362 -2.634 1.689 1.00 0.00 N ATOM 889 CA GLU A 56 3.525 -1.238 1.302 1.00 0.00 C ATOM 890 C GLU A 56 4.994 -0.827 1.353 1.00 0.00 C ATOM 891 O GLU A 56 5.731 -1.229 2.254 1.00 0.00 O ATOM 892 CB GLU A 56 2.700 -0.332 2.218 1.00 0.00 C ATOM 893 CG GLU A 56 2.496 1.069 1.665 1.00 0.00 C ATOM 894 CD GLU A 56 2.073 1.066 0.209 1.00 0.00 C ATOM 895 OE1 GLU A 56 0.937 0.634 -0.077 1.00 0.00 O ATOM 896 OE2 GLU A 56 2.878 1.495 -0.644 1.00 0.00 O ATOM 0 H GLU A 56 2.501 -2.833 2.198 1.00 0.00 H new ATOM 0 HA GLU A 56 3.170 -1.128 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.726 -0.792 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.194 -0.263 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.740 1.583 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.422 1.635 1.769 1.00 0.00 H new ATOM 903 N ARG A 57 5.413 -0.026 0.379 1.00 0.00 N ATOM 904 CA ARG A 57 6.794 0.438 0.311 1.00 0.00 C ATOM 905 C ARG A 57 7.168 1.217 1.569 1.00 0.00 C ATOM 906 O ARG A 57 6.486 2.169 1.948 1.00 0.00 O ATOM 907 CB ARG A 57 6.999 1.314 -0.925 1.00 0.00 C ATOM 908 CG ARG A 57 8.386 1.931 -1.010 1.00 0.00 C ATOM 909 CD ARG A 57 8.703 2.396 -2.423 1.00 0.00 C ATOM 910 NE ARG A 57 8.898 1.275 -3.338 1.00 0.00 N ATOM 911 CZ ARG A 57 9.579 1.364 -4.475 1.00 0.00 C ATOM 912 NH1 ARG A 57 10.126 2.516 -4.835 1.00 0.00 N ATOM 913 NH2 ARG A 57 9.713 0.298 -5.255 1.00 0.00 N ATOM 0 H ARG A 57 4.816 0.315 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 57 7.442 -0.436 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.822 0.715 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.255 2.111 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.452 2.776 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.130 1.202 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.891 3.025 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.602 3.012 -2.409 1.00 0.00 H new ATOM 0 HE ARG A 57 8.489 0.374 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.025 3.337 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.648 2.582 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.293 -0.590 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.236 0.367 -6.128 1.00 0.00 H new ATOM 927 N VAL A 58 8.256 0.806 2.212 1.00 0.00 N ATOM 928 CA VAL A 58 8.722 1.465 3.426 1.00 0.00 C ATOM 929 C VAL A 58 10.233 1.664 3.398 1.00 0.00 C ATOM 930 O VAL A 58 10.987 0.817 2.919 1.00 0.00 O ATOM 931 CB VAL A 58 8.344 0.659 4.683 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.840 0.442 4.746 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.084 -0.670 4.705 1.00 0.00 C ATOM 0 H VAL A 58 8.832 0.019 1.912 1.00 0.00 H new ATOM 0 HA VAL A 58 8.231 2.437 3.466 1.00 0.00 H new ATOM 0 HB VAL A 58 8.642 1.230 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.592 -0.129 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.334 1.407 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.514 -0.108 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.805 -1.227 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.819 -1.249 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.159 -0.488 4.711 1.00 0.00 H new ATOM 943 N PRO A 59 10.689 2.810 3.924 1.00 0.00 N ATOM 944 CA PRO A 59 12.115 3.147 3.973 1.00 0.00 C ATOM 945 C PRO A 59 12.883 2.275 4.960 1.00 0.00 C ATOM 946 O PRO A 59 12.348 1.865 5.990 1.00 0.00 O ATOM 947 CB PRO A 59 12.119 4.607 4.434 1.00 0.00 C ATOM 948 CG PRO A 59 10.843 4.770 5.186 1.00 0.00 C ATOM 949 CD PRO A 59 9.847 3.866 4.513 1.00 0.00 C ATOM 0 HA PRO A 59 12.605 2.988 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.981 4.820 5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.169 5.290 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.970 4.499 6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.507 5.807 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.130 3.458 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.274 4.395 3.751 1.00 0.00 H new ATOM 957 N CYS A 60 14.142 1.994 4.638 1.00 0.00 N ATOM 958 CA CYS A 60 14.985 1.170 5.496 1.00 0.00 C ATOM 959 C CYS A 60 14.865 1.603 6.954 1.00 0.00 C ATOM 960 O CYS A 60 14.973 2.789 7.272 1.00 0.00 O ATOM 961 CB CYS A 60 16.444 1.255 5.045 1.00 0.00 C ATOM 962 SG CYS A 60 17.559 0.104 5.912 1.00 0.00 S ATOM 0 H CYS A 60 14.600 2.325 3.789 1.00 0.00 H new ATOM 0 HA CYS A 60 14.646 0.137 5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.494 1.056 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.801 2.274 5.197 1.00 0.00 H new ATOM 0 HG CYS A 60 18.665 0.716 6.215 1.00 0.00 H new ATOM 967 N LEU A 61 14.643 0.636 7.837 1.00 0.00 N ATOM 968 CA LEU A 61 14.509 0.916 9.262 1.00 0.00 C ATOM 969 C LEU A 61 15.495 1.994 9.700 1.00 0.00 C ATOM 970 O LEU A 61 15.156 2.876 10.488 1.00 0.00 O ATOM 971 CB LEU A 61 14.735 -0.360 10.076 1.00 0.00 C ATOM 972 CG LEU A 61 13.500 -1.226 10.323 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.907 -2.617 10.785 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.583 -0.569 11.344 1.00 0.00 C ATOM 0 H LEU A 61 14.552 -0.350 7.591 1.00 0.00 H new ATOM 0 HA LEU A 61 13.498 1.280 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.482 -0.966 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.157 -0.081 11.041 1.00 0.00 H new ATOM 0 HG LEU A 61 12.954 -1.323 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.015 -3.219 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.522 -3.089 10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.476 -2.541 11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.709 -1.200 11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.119 -0.441 12.285 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.263 0.405 10.973 1.00 0.00 H new ATOM 986 N ASN A 62 16.717 1.917 9.182 1.00 0.00 N ATOM 987 CA ASN A 62 17.752 2.887 9.518 1.00 0.00 C ATOM 988 C ASN A 62 17.706 4.082 8.571 1.00 0.00 C ATOM 989 O ASN A 62 18.742 4.562 8.110 1.00 0.00 O ATOM 990 CB ASN A 62 19.133 2.231 9.463 1.00 0.00 C ATOM 991 CG ASN A 62 19.293 1.322 8.260 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.433 1.789 7.129 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.273 0.016 8.498 1.00 0.00 N ATOM 0 H ASN A 62 17.014 1.193 8.528 1.00 0.00 H new ATOM 0 HA ASN A 62 17.566 3.242 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.899 3.006 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.295 1.655 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.376 -0.644 7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.155 -0.327 9.451 1.00 0.00 H new ATOM 1000 N SER A 63 16.499 4.558 8.285 1.00 0.00 N ATOM 1001 CA SER A 63 16.317 5.695 7.390 1.00 0.00 C ATOM 1002 C SER A 63 16.992 6.942 7.952 1.00 0.00 C ATOM 1003 O SER A 63 17.245 7.905 7.228 1.00 0.00 O ATOM 1004 CB SER A 63 14.827 5.964 7.169 1.00 0.00 C ATOM 1005 OG SER A 63 14.194 6.351 8.376 1.00 0.00 O ATOM 0 H SER A 63 15.632 4.174 8.660 1.00 0.00 H new ATOM 0 HA SER A 63 16.781 5.451 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.703 6.748 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.347 5.068 6.774 1.00 0.00 H new ATOM 0 HG SER A 63 13.243 6.519 8.208 1.00 0.00 H new ATOM 1011 N ASP A 64 17.282 6.917 9.248 1.00 0.00 N ATOM 1012 CA ASP A 64 17.929 8.044 9.909 1.00 0.00 C ATOM 1013 C ASP A 64 19.389 8.159 9.483 1.00 0.00 C ATOM 1014 O ASP A 64 19.892 9.257 9.242 1.00 0.00 O ATOM 1015 CB ASP A 64 17.840 7.892 11.429 1.00 0.00 C ATOM 1016 CG ASP A 64 17.958 9.220 12.151 1.00 0.00 C ATOM 1017 OD1 ASP A 64 16.937 9.931 12.256 1.00 0.00 O ATOM 1018 OD2 ASP A 64 19.072 9.548 12.611 1.00 0.00 O ATOM 0 H ASP A 64 17.079 6.128 9.862 1.00 0.00 H new ATOM 0 HA ASP A 64 17.409 8.954 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.891 7.423 11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.630 7.224 11.771 1.00 0.00 H new ATOM 1023 N PHE A 65 20.066 7.019 9.392 1.00 0.00 N ATOM 1024 CA PHE A 65 21.469 6.992 8.997 1.00 0.00 C ATOM 1025 C PHE A 65 21.652 7.580 7.601 1.00 0.00 C ATOM 1026 O PHE A 65 22.637 8.264 7.328 1.00 0.00 O ATOM 1027 CB PHE A 65 22.003 5.558 9.032 1.00 0.00 C ATOM 1028 CG PHE A 65 22.190 5.022 10.423 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.099 4.632 11.182 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.458 4.910 10.972 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.267 4.138 12.462 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.632 4.417 12.251 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.536 4.032 12.997 1.00 0.00 C ATOM 0 H PHE A 65 19.665 6.101 9.587 1.00 0.00 H new ATOM 0 HA PHE A 65 22.032 7.600 9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.315 4.909 8.491 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.957 5.521 8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.105 4.715 10.769 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.319 5.211 10.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.408 3.836 13.042 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.625 4.333 12.667 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.671 3.648 13.998 1.00 0.00 H new ATOM 1043 N GLY A 66 20.695 7.307 6.719 1.00 0.00 N ATOM 1044 CA GLY A 66 20.769 7.816 5.362 1.00 0.00 C ATOM 1045 C GLY A 66 20.759 6.708 4.327 1.00 0.00 C ATOM 1046 O GLY A 66 21.574 6.705 3.404 1.00 0.00 O ATOM 0 H GLY A 66 19.870 6.742 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.928 8.485 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.677 8.408 5.248 1.00 0.00 H new ATOM 1050 N CYS A 67 19.837 5.765 4.480 1.00 0.00 N ATOM 1051 CA CYS A 67 19.725 4.645 3.553 1.00 0.00 C ATOM 1052 C CYS A 67 18.642 4.908 2.511 1.00 0.00 C ATOM 1053 O CYS A 67 17.447 4.906 2.808 1.00 0.00 O ATOM 1054 CB CYS A 67 19.415 3.355 4.314 1.00 0.00 C ATOM 1055 SG CYS A 67 19.988 1.842 3.476 1.00 0.00 S ATOM 0 H CYS A 67 19.155 5.754 5.238 1.00 0.00 H new ATOM 0 HA CYS A 67 20.680 4.534 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.876 3.408 5.300 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.338 3.287 4.468 1.00 0.00 H new ATOM 0 HG CYS A 67 20.370 0.973 4.364 1.00 0.00 H new ATOM 1060 N PRO A 68 19.067 5.139 1.260 1.00 0.00 N ATOM 1061 CA PRO A 68 18.150 5.406 0.149 1.00 0.00 C ATOM 1062 C PRO A 68 17.345 4.174 -0.248 1.00 0.00 C ATOM 1063 O PRO A 68 16.375 4.269 -1.000 1.00 0.00 O ATOM 1064 CB PRO A 68 19.084 5.824 -0.990 1.00 0.00 C ATOM 1065 CG PRO A 68 20.387 5.179 -0.666 1.00 0.00 C ATOM 1066 CD PRO A 68 20.477 5.156 0.835 1.00 0.00 C ATOM 0 HA PRO A 68 17.406 6.160 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.706 5.489 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.182 6.908 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.435 4.170 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.217 5.738 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.015 4.278 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.002 6.030 1.220 1.00 0.00 H new ATOM 1074 N PHE A 69 17.753 3.017 0.262 1.00 0.00 N ATOM 1075 CA PHE A 69 17.070 1.764 -0.040 1.00 0.00 C ATOM 1076 C PHE A 69 15.627 1.799 0.455 1.00 0.00 C ATOM 1077 O PHE A 69 15.349 2.256 1.564 1.00 0.00 O ATOM 1078 CB PHE A 69 17.811 0.587 0.598 1.00 0.00 C ATOM 1079 CG PHE A 69 19.086 0.227 -0.110 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.248 0.945 0.119 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.121 -0.829 -1.006 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.423 0.616 -0.530 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.293 -1.163 -1.659 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.445 -0.439 -1.421 1.00 0.00 C ATOM 0 H PHE A 69 18.554 2.921 0.887 1.00 0.00 H new ATOM 0 HA PHE A 69 17.062 1.635 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.037 0.830 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.154 -0.282 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.236 1.772 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.223 -1.398 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.323 1.183 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.308 -1.989 -2.354 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.361 -0.697 -1.931 1.00 0.00 H new ATOM 1094 N THR A 70 14.710 1.312 -0.376 1.00 0.00 N ATOM 1095 CA THR A 70 13.296 1.289 -0.026 1.00 0.00 C ATOM 1096 C THR A 70 12.633 0.001 -0.501 1.00 0.00 C ATOM 1097 O THR A 70 12.788 -0.399 -1.654 1.00 0.00 O ATOM 1098 CB THR A 70 12.547 2.492 -0.630 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.842 2.600 -2.028 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.935 3.781 0.076 1.00 0.00 C ATOM 0 H THR A 70 14.922 0.928 -1.297 1.00 0.00 H new ATOM 0 HA THR A 70 13.239 1.344 1.061 1.00 0.00 H new ATOM 0 HB THR A 70 11.477 2.331 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.807 1.711 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.393 4.616 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.683 3.706 1.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.007 3.946 -0.031 1.00 0.00 H new ATOM 1108 N MET A 71 11.894 -0.644 0.396 1.00 0.00 N ATOM 1109 CA MET A 71 11.205 -1.887 0.066 1.00 0.00 C ATOM 1110 C MET A 71 10.124 -2.199 1.095 1.00 0.00 C ATOM 1111 O MET A 71 9.939 -1.456 2.060 1.00 0.00 O ATOM 1112 CB MET A 71 12.204 -3.044 -0.008 1.00 0.00 C ATOM 1113 CG MET A 71 13.129 -3.126 1.196 1.00 0.00 C ATOM 1114 SD MET A 71 14.638 -2.164 0.979 1.00 0.00 S ATOM 1115 CE MET A 71 14.434 -0.921 2.252 1.00 0.00 C ATOM 0 H MET A 71 11.757 -0.327 1.356 1.00 0.00 H new ATOM 0 HA MET A 71 10.730 -1.763 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.656 -3.982 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.805 -2.937 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.600 -2.771 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.390 -4.168 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.058 -0.058 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.389 -0.613 2.296 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.731 -1.335 3.216 1.00 0.00 H new ATOM 1125 N ALA A 72 9.412 -3.300 0.884 1.00 0.00 N ATOM 1126 CA ALA A 72 8.350 -3.710 1.794 1.00 0.00 C ATOM 1127 C ALA A 72 8.884 -3.904 3.209 1.00 0.00 C ATOM 1128 O ALA A 72 10.054 -4.238 3.401 1.00 0.00 O ATOM 1129 CB ALA A 72 7.692 -4.989 1.297 1.00 0.00 C ATOM 0 H ALA A 72 9.551 -3.925 0.090 1.00 0.00 H new ATOM 0 HA ALA A 72 7.603 -2.917 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.901 -5.283 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.266 -4.819 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.437 -5.783 1.240 1.00 0.00 H new ATOM 1135 N ARG A 73 8.021 -3.692 4.197 1.00 0.00 N ATOM 1136 CA ARG A 73 8.407 -3.842 5.595 1.00 0.00 C ATOM 1137 C ARG A 73 8.862 -5.269 5.883 1.00 0.00 C ATOM 1138 O ARG A 73 9.808 -5.489 6.638 1.00 0.00 O ATOM 1139 CB ARG A 73 7.239 -3.472 6.511 1.00 0.00 C ATOM 1140 CG ARG A 73 7.667 -3.088 7.918 1.00 0.00 C ATOM 1141 CD ARG A 73 8.305 -1.708 7.949 1.00 0.00 C ATOM 1142 NE ARG A 73 8.372 -1.167 9.304 1.00 0.00 N ATOM 1143 CZ ARG A 73 9.071 -0.084 9.629 1.00 0.00 C ATOM 1144 NH1 ARG A 73 9.757 0.569 8.701 1.00 0.00 N ATOM 1145 NH2 ARG A 73 9.083 0.347 10.883 1.00 0.00 N ATOM 0 H ARG A 73 7.049 -3.416 4.055 1.00 0.00 H new ATOM 0 HA ARG A 73 9.240 -3.167 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.690 -2.641 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.551 -4.315 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.801 -3.105 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.374 -3.825 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.310 -1.764 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.733 -1.030 7.316 1.00 0.00 H new ATOM 0 HE ARG A 73 7.854 -1.646 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.749 0.241 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.293 1.400 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.556 -0.153 11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.620 1.178 11.132 1.00 0.00 H new ATOM 1159 N ASN A 74 8.181 -6.236 5.277 1.00 0.00 N ATOM 1160 CA ASN A 74 8.514 -7.643 5.469 1.00 0.00 C ATOM 1161 C ASN A 74 9.710 -8.041 4.610 1.00 0.00 C ATOM 1162 O ASN A 74 10.090 -9.211 4.558 1.00 0.00 O ATOM 1163 CB ASN A 74 7.311 -8.525 5.129 1.00 0.00 C ATOM 1164 CG ASN A 74 7.303 -8.956 3.675 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.286 -8.122 2.769 1.00 0.00 O ATOM 1166 ND2 ASN A 74 7.315 -10.264 3.446 1.00 0.00 N ATOM 0 H ASN A 74 7.395 -6.071 4.648 1.00 0.00 H new ATOM 0 HA ASN A 74 8.777 -7.788 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.320 -9.409 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.392 -7.982 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.310 -10.614 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.329 -10.919 4.228 1.00 0.00 H new ATOM 1173 N LYS A 75 10.301 -7.059 3.937 1.00 0.00 N ATOM 1174 CA LYS A 75 11.456 -7.305 3.081 1.00 0.00 C ATOM 1175 C LYS A 75 12.705 -6.637 3.647 1.00 0.00 C ATOM 1176 O LYS A 75 13.828 -7.038 3.341 1.00 0.00 O ATOM 1177 CB LYS A 75 11.185 -6.789 1.665 1.00 0.00 C ATOM 1178 CG LYS A 75 10.069 -7.530 0.951 1.00 0.00 C ATOM 1179 CD LYS A 75 10.478 -8.952 0.602 1.00 0.00 C ATOM 1180 CE LYS A 75 9.673 -9.491 -0.571 1.00 0.00 C ATOM 1181 NZ LYS A 75 8.218 -9.560 -0.260 1.00 0.00 N ATOM 0 H LYS A 75 9.999 -6.085 3.968 1.00 0.00 H new ATOM 0 HA LYS A 75 11.627 -8.381 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.932 -5.730 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.099 -6.871 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.182 -7.551 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.799 -6.994 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.540 -8.977 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.335 -9.596 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.828 -8.854 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.036 -10.485 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.715 -10.010 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.074 -10.119 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.848 -8.599 -0.117 1.00 0.00 H new ATOM 1195 N VAL A 76 12.502 -5.617 4.474 1.00 0.00 N ATOM 1196 CA VAL A 76 13.612 -4.895 5.085 1.00 0.00 C ATOM 1197 C VAL A 76 14.483 -5.830 5.917 1.00 0.00 C ATOM 1198 O VAL A 76 15.665 -5.564 6.132 1.00 0.00 O ATOM 1199 CB VAL A 76 13.110 -3.747 5.981 1.00 0.00 C ATOM 1200 CG1 VAL A 76 12.385 -2.699 5.150 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.206 -4.285 7.080 1.00 0.00 C ATOM 0 H VAL A 76 11.579 -5.272 4.737 1.00 0.00 H new ATOM 0 HA VAL A 76 14.205 -4.478 4.271 1.00 0.00 H new ATOM 0 HB VAL A 76 13.972 -3.273 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.038 -1.896 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.066 -2.292 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.531 -3.157 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.861 -3.460 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.348 -4.786 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.761 -4.995 7.693 1.00 0.00 H new ATOM 1211 N ALA A 77 13.891 -6.925 6.381 1.00 0.00 N ATOM 1212 CA ALA A 77 14.614 -7.901 7.187 1.00 0.00 C ATOM 1213 C ALA A 77 15.783 -8.498 6.409 1.00 0.00 C ATOM 1214 O ALA A 77 16.857 -8.725 6.964 1.00 0.00 O ATOM 1215 CB ALA A 77 13.673 -9.001 7.655 1.00 0.00 C ATOM 0 H ALA A 77 12.913 -7.159 6.213 1.00 0.00 H new ATOM 0 HA ALA A 77 15.017 -7.387 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.227 -9.722 8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.875 -8.566 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.242 -9.504 6.789 1.00 0.00 H new ATOM 1221 N GLU A 78 15.564 -8.749 5.122 1.00 0.00 N ATOM 1222 CA GLU A 78 16.600 -9.321 4.270 1.00 0.00 C ATOM 1223 C GLU A 78 17.661 -8.278 3.928 1.00 0.00 C ATOM 1224 O GLU A 78 18.860 -8.544 4.016 1.00 0.00 O ATOM 1225 CB GLU A 78 15.984 -9.877 2.985 1.00 0.00 C ATOM 1226 CG GLU A 78 16.979 -10.020 1.845 1.00 0.00 C ATOM 1227 CD GLU A 78 18.326 -10.540 2.308 1.00 0.00 C ATOM 1228 OE1 GLU A 78 18.348 -11.497 3.110 1.00 0.00 O ATOM 1229 OE2 GLU A 78 19.357 -9.990 1.869 1.00 0.00 O ATOM 0 H GLU A 78 14.680 -8.566 4.647 1.00 0.00 H new ATOM 0 HA GLU A 78 17.077 -10.134 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.543 -10.851 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.173 -9.222 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.571 -10.697 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.114 -9.052 1.362 1.00 0.00 H new ATOM 1236 N HIS A 79 17.210 -7.090 3.537 1.00 0.00 N ATOM 1237 CA HIS A 79 18.119 -6.006 3.182 1.00 0.00 C ATOM 1238 C HIS A 79 18.980 -5.606 4.377 1.00 0.00 C ATOM 1239 O HIS A 79 20.197 -5.456 4.256 1.00 0.00 O ATOM 1240 CB HIS A 79 17.332 -4.797 2.677 1.00 0.00 C ATOM 1241 CG HIS A 79 18.108 -3.516 2.723 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.122 -3.218 1.838 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.011 -2.452 3.555 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.617 -2.027 2.124 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.960 -1.541 3.161 1.00 0.00 N ATOM 0 H HIS A 79 16.221 -6.854 3.458 1.00 0.00 H new ATOM 0 HA HIS A 79 18.775 -6.360 2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.014 -4.983 1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.428 -4.686 3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.317 -2.341 4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.422 -1.535 1.599 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.130 -0.635 3.599 1.00 0.00 H new ATOM 1253 N LEU A 80 18.341 -5.433 5.528 1.00 0.00 N ATOM 1254 CA LEU A 80 19.048 -5.049 6.745 1.00 0.00 C ATOM 1255 C LEU A 80 20.338 -5.848 6.901 1.00 0.00 C ATOM 1256 O LEU A 80 21.370 -5.306 7.295 1.00 0.00 O ATOM 1257 CB LEU A 80 18.152 -5.261 7.967 1.00 0.00 C ATOM 1258 CG LEU A 80 17.138 -4.154 8.256 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.188 -4.577 9.366 1.00 0.00 C ATOM 1260 CD2 LEU A 80 17.850 -2.861 8.625 1.00 0.00 C ATOM 0 H LEU A 80 17.335 -5.552 5.645 1.00 0.00 H new ATOM 0 HA LEU A 80 19.304 -3.992 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.610 -6.198 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.789 -5.380 8.843 1.00 0.00 H new ATOM 0 HG LEU A 80 16.554 -3.978 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.473 -3.777 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.652 -5.477 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.756 -4.781 10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.112 -2.084 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.460 -3.022 9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.488 -2.549 7.799 1.00 0.00 H new ATOM 1272 N GLU A 81 20.270 -7.138 6.587 1.00 0.00 N ATOM 1273 CA GLU A 81 21.434 -8.010 6.691 1.00 0.00 C ATOM 1274 C GLU A 81 22.571 -7.509 5.805 1.00 0.00 C ATOM 1275 O GLU A 81 23.732 -7.501 6.213 1.00 0.00 O ATOM 1276 CB GLU A 81 21.062 -9.442 6.300 1.00 0.00 C ATOM 1277 CG GLU A 81 20.043 -10.081 7.228 1.00 0.00 C ATOM 1278 CD GLU A 81 20.689 -10.819 8.385 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.460 -10.186 9.136 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.423 -12.029 8.538 1.00 0.00 O ATOM 0 H GLU A 81 19.423 -7.602 6.259 1.00 0.00 H new ATOM 0 HA GLU A 81 21.772 -7.999 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.666 -9.441 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.965 -10.053 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.380 -9.310 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.424 -10.775 6.659 1.00 0.00 H new ATOM 1287 N MET A 82 22.228 -7.091 4.592 1.00 0.00 N ATOM 1288 CA MET A 82 23.219 -6.587 3.648 1.00 0.00 C ATOM 1289 C MET A 82 23.177 -5.064 3.577 1.00 0.00 C ATOM 1290 O MET A 82 23.675 -4.462 2.625 1.00 0.00 O ATOM 1291 CB MET A 82 22.980 -7.180 2.258 1.00 0.00 C ATOM 1292 CG MET A 82 21.664 -6.748 1.631 1.00 0.00 C ATOM 1293 SD MET A 82 21.825 -5.249 0.643 1.00 0.00 S ATOM 1294 CE MET A 82 21.246 -5.829 -0.950 1.00 0.00 C ATOM 0 H MET A 82 21.271 -7.091 4.239 1.00 0.00 H new ATOM 0 HA MET A 82 24.205 -6.890 4.000 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.799 -6.887 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.000 -8.268 2.328 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.284 -7.553 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 82 20.928 -6.583 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 82 21.286 -5.012 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 82 21.881 -6.647 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.219 -6.181 -0.857 1.00 0.00 H new ATOM 1304 N CYS A 83 22.581 -4.445 4.590 1.00 0.00 N ATOM 1305 CA CYS A 83 22.473 -2.992 4.643 1.00 0.00 C ATOM 1306 C CYS A 83 23.706 -2.379 5.300 1.00 0.00 C ATOM 1307 O CYS A 83 24.213 -2.871 6.308 1.00 0.00 O ATOM 1308 CB CYS A 83 21.215 -2.580 5.410 1.00 0.00 C ATOM 1309 SG CYS A 83 21.133 -0.804 5.807 1.00 0.00 S ATOM 0 H CYS A 83 22.165 -4.928 5.386 1.00 0.00 H new ATOM 0 HA CYS A 83 22.405 -2.620 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.339 -2.850 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.164 -3.151 6.337 1.00 0.00 H new ATOM 0 HG CYS A 83 19.903 -0.394 5.710 1.00 0.00 H new ATOM 1314 N PRO A 84 24.201 -1.277 4.717 1.00 0.00 N ATOM 1315 CA PRO A 84 25.380 -0.572 5.229 1.00 0.00 C ATOM 1316 C PRO A 84 25.104 0.134 6.552 1.00 0.00 C ATOM 1317 O PRO A 84 25.877 0.016 7.502 1.00 0.00 O ATOM 1318 CB PRO A 84 25.686 0.451 4.131 1.00 0.00 C ATOM 1319 CG PRO A 84 24.381 0.677 3.450 1.00 0.00 C ATOM 1320 CD PRO A 84 23.648 -0.634 3.513 1.00 0.00 C ATOM 0 HA PRO A 84 26.204 -1.254 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.079 1.377 4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.435 0.073 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.814 1.465 3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.529 0.992 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.571 -0.489 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.822 -1.235 2.621 1.00 0.00 H new ATOM 1328 N ALA A 85 23.997 0.868 6.607 1.00 0.00 N ATOM 1329 CA ALA A 85 23.618 1.590 7.815 1.00 0.00 C ATOM 1330 C ALA A 85 23.497 0.644 9.005 1.00 0.00 C ATOM 1331 O ALA A 85 23.749 1.032 10.146 1.00 0.00 O ATOM 1332 CB ALA A 85 22.310 2.336 7.595 1.00 0.00 C ATOM 0 H ALA A 85 23.347 0.978 5.829 1.00 0.00 H new ATOM 0 HA ALA A 85 24.403 2.313 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.039 2.871 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.430 3.048 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.523 1.625 7.344 1.00 0.00 H new ATOM 1338 N SER A 86 23.108 -0.597 8.731 1.00 0.00 N ATOM 1339 CA SER A 86 22.949 -1.597 9.780 1.00 0.00 C ATOM 1340 C SER A 86 24.274 -1.855 10.491 1.00 0.00 C ATOM 1341 O SER A 86 24.306 -2.423 11.582 1.00 0.00 O ATOM 1342 CB SER A 86 22.410 -2.903 9.192 1.00 0.00 C ATOM 1343 OG SER A 86 20.993 -2.919 9.199 1.00 0.00 O ATOM 0 H SER A 86 22.897 -0.934 7.792 1.00 0.00 H new ATOM 0 HA SER A 86 22.235 -1.213 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.773 -3.023 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.789 -3.748 9.767 1.00 0.00 H new ATOM 0 HG SER A 86 20.671 -3.644 8.624 1.00 0.00 H new