USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=24 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 -150:sc= 0.95 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 K(o=-6.8,f=-5.6) USER MOD Set 1.3: A 67 CYS SG : rot 154:sc= -0.176 USER MOD Set 1.4: A 79 HIS : no HD1:sc= -7.16! C(o=-6.8!,f=-5.6!) USER MOD Set 1.5: A 83 CYS SG : rot 143:sc= -0.456 USER MOD Set 2.1: A 33 CYS SG : rot 116:sc= -1.21 USER MOD Set 2.2: A 37 CYS SG : rot -119:sc= 0.438 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -8.5! C(o=-10!,f=-11!) USER MOD Set 2.4: A 53 CYS SG : rot 97:sc= -1.1 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -2.57! K(o=-11!,f=-10) USER MOD Set 3.2: A 9 HIS : no HD1:sc= -4! C(o=-11!,f=-10!) USER MOD Set 3.3: A 10 CYS SG : rot 139:sc= -0.903 USER MOD Set 3.4: A 13 CYS SG : rot -164:sc= 0.0628 USER MOD Set 3.5: A 18 CYS SG : rot -150:sc= -0.0435 USER MOD Set 3.6: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 3.7: A 28 CYS SG : rot -61:sc= -0.337 USER MOD Set 3.8: A 42 HIS : no HE2:sc= -1 K(o=-11,f=-13) USER MOD Set 3.9: A 43 SER OG : rot -54:sc= 0.07 USER MOD Set 3.10: A 44 CYS SG : rot -119:sc= -1.78! USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.81) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 19 MET CE :methyl -144:sc= 0 (180deg=-0.376) USER MOD Single : A 27 SER OG : rot -81:sc= 0.00688 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.0519 (180deg=-0.28) USER MOD Single : A 63 SER OG : rot 180:sc= -0.121 USER MOD Single : A 70 THR OG1 : rot -140:sc= 0.119 USER MOD Single : A 71 MET CE :methyl -171:sc= -3.71 (180deg=-3.82) USER MOD Single : A 74 ASN : amide:sc= -0.873 X(o=-0.87,f=-0.87) 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 Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -14.802 10.103 6.899 1.00 0.00 N ATOM 148 CA GLN A 6 -14.823 8.692 7.267 1.00 0.00 C ATOM 149 C GLN A 6 -16.233 8.121 7.151 1.00 0.00 C ATOM 150 O GLN A 6 -17.176 8.833 6.807 1.00 0.00 O ATOM 151 CB GLN A 6 -14.302 8.508 8.693 1.00 0.00 C ATOM 152 CG GLN A 6 -12.795 8.671 8.816 1.00 0.00 C ATOM 153 CD GLN A 6 -12.297 8.448 10.230 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.062 8.535 11.191 1.00 0.00 O ATOM 155 NE2 GLN A 6 -11.008 8.158 10.365 1.00 0.00 N ATOM 0 HA GLN A 6 -14.174 8.152 6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.792 9.230 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.582 7.516 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.301 7.967 8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.514 9.672 8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.410 8.096 9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.616 7.997 11.293 1.00 0.00 H new ATOM 164 N HIS A 7 -16.368 6.830 7.440 1.00 0.00 N ATOM 165 CA HIS A 7 -17.663 6.163 7.367 1.00 0.00 C ATOM 166 C HIS A 7 -18.070 5.617 8.733 1.00 0.00 C ATOM 167 O HIS A 7 -17.345 4.826 9.337 1.00 0.00 O ATOM 168 CB HIS A 7 -17.619 5.028 6.344 1.00 0.00 C ATOM 169 CG HIS A 7 -17.436 5.500 4.934 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.539 4.925 4.058 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.043 6.497 4.248 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.601 5.549 2.896 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.506 6.507 2.984 1.00 0.00 N ATOM 0 H HIS A 7 -15.598 6.226 7.726 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.405 6.897 7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.805 4.350 6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.544 4.455 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.807 7.161 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.012 5.316 2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.764 7.150 2.235 1.00 0.00 H new ATOM 181 N SER A 8 -19.233 6.044 9.213 1.00 0.00 N ATOM 182 CA SER A 8 -19.733 5.602 10.509 1.00 0.00 C ATOM 183 C SER A 8 -19.546 4.097 10.679 1.00 0.00 C ATOM 184 O SER A 8 -19.071 3.632 11.716 1.00 0.00 O ATOM 185 CB SER A 8 -21.212 5.963 10.659 1.00 0.00 C ATOM 186 OG SER A 8 -21.553 6.166 12.020 1.00 0.00 O ATOM 0 H SER A 8 -19.847 6.696 8.724 1.00 0.00 H new ATOM 0 HA SER A 8 -19.161 6.112 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.429 6.866 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.828 5.166 10.242 1.00 0.00 H new ATOM 0 HG SER A 8 -22.503 6.397 12.088 1.00 0.00 H new ATOM 192 N HIS A 9 -19.924 3.341 9.653 1.00 0.00 N ATOM 193 CA HIS A 9 -19.797 1.888 9.687 1.00 0.00 C ATOM 194 C HIS A 9 -18.331 1.471 9.738 1.00 0.00 C ATOM 195 O HIS A 9 -17.875 0.885 10.720 1.00 0.00 O ATOM 196 CB HIS A 9 -20.474 1.267 8.464 1.00 0.00 C ATOM 197 CG HIS A 9 -20.098 -0.164 8.233 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.818 -1.223 8.745 1.00 0.00 N ATOM 199 CD2 HIS A 9 -19.071 -0.709 7.540 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.249 -2.357 8.377 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.187 -2.073 7.645 1.00 0.00 N ATOM 0 H HIS A 9 -20.320 3.710 8.789 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.290 1.526 10.589 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.555 1.335 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.214 1.850 7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.303 -0.171 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.594 -3.348 8.632 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.556 -2.756 7.226 1.00 0.00 H new ATOM 209 N CYS A 10 -17.596 1.776 8.673 1.00 0.00 N ATOM 210 CA CYS A 10 -16.182 1.433 8.596 1.00 0.00 C ATOM 211 C CYS A 10 -15.469 1.764 9.903 1.00 0.00 C ATOM 212 O CYS A 10 -14.854 0.897 10.525 1.00 0.00 O ATOM 213 CB CYS A 10 -15.517 2.179 7.437 1.00 0.00 C ATOM 214 SG CYS A 10 -16.327 1.921 5.825 1.00 0.00 S ATOM 0 H CYS A 10 -17.957 2.260 7.851 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.104 0.360 8.422 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.510 3.246 7.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.477 1.862 7.364 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.376 3.048 5.179 1.00 0.00 H new ATOM 219 N VAL A 11 -15.556 3.024 10.316 1.00 0.00 N ATOM 220 CA VAL A 11 -14.921 3.470 11.551 1.00 0.00 C ATOM 221 C VAL A 11 -15.217 2.512 12.698 1.00 0.00 C ATOM 222 O VAL A 11 -14.454 2.424 13.659 1.00 0.00 O ATOM 223 CB VAL A 11 -15.390 4.884 11.943 1.00 0.00 C ATOM 224 CG1 VAL A 11 -15.168 5.858 10.796 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.852 4.864 12.362 1.00 0.00 C ATOM 0 H VAL A 11 -16.060 3.755 9.814 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.847 3.489 11.366 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.797 5.221 12.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.505 6.851 11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.107 5.894 10.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.732 5.528 9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.166 5.871 12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.463 4.506 11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.976 4.200 13.218 1.00 0.00 H new ATOM 235 N ASN A 12 -16.331 1.794 12.591 1.00 0.00 N ATOM 236 CA ASN A 12 -16.729 0.841 13.620 1.00 0.00 C ATOM 237 C ASN A 12 -16.873 -0.561 13.037 1.00 0.00 C ATOM 238 O ASN A 12 -17.745 -1.329 13.445 1.00 0.00 O ATOM 239 CB ASN A 12 -18.046 1.275 14.266 1.00 0.00 C ATOM 240 CG ASN A 12 -17.913 2.576 15.034 1.00 0.00 C ATOM 241 OD1 ASN A 12 -16.989 2.748 15.830 1.00 0.00 O ATOM 242 ND2 ASN A 12 -18.837 3.500 14.798 1.00 0.00 N ATOM 0 H ASN A 12 -16.974 1.855 11.801 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.949 0.820 14.381 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.806 1.389 13.493 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.392 0.492 14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.799 4.396 15.285 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.585 3.314 14.130 1.00 0.00 H new ATOM 249 N CYS A 13 -16.012 -0.890 12.080 1.00 0.00 N ATOM 250 CA CYS A 13 -16.042 -2.199 11.439 1.00 0.00 C ATOM 251 C CYS A 13 -14.681 -2.883 11.535 1.00 0.00 C ATOM 252 O CYS A 13 -13.754 -2.552 10.795 1.00 0.00 O ATOM 253 CB CYS A 13 -16.454 -2.063 9.972 1.00 0.00 C ATOM 254 SG CYS A 13 -16.347 -3.613 9.023 1.00 0.00 S ATOM 0 H CYS A 13 -15.284 -0.267 11.731 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.776 -2.814 11.960 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -17.478 -1.691 9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.821 -1.314 9.496 1.00 0.00 H new ATOM 0 HG CYS A 13 -16.375 -3.346 7.751 1.00 0.00 H new ATOM 259 N VAL A 14 -14.568 -3.839 12.452 1.00 0.00 N ATOM 260 CA VAL A 14 -13.322 -4.571 12.644 1.00 0.00 C ATOM 261 C VAL A 14 -13.411 -5.972 12.050 1.00 0.00 C ATOM 262 O VAL A 14 -12.758 -6.901 12.525 1.00 0.00 O ATOM 263 CB VAL A 14 -12.960 -4.679 14.137 1.00 0.00 C ATOM 264 CG1 VAL A 14 -12.866 -3.298 14.766 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.977 -5.541 14.870 1.00 0.00 C ATOM 0 H VAL A 14 -15.325 -4.124 13.074 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.542 -4.011 12.129 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.984 -5.157 14.223 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.609 -3.395 15.821 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.096 -2.718 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.825 -2.789 14.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.706 -5.607 15.924 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.967 -5.094 14.777 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.988 -6.540 14.435 1.00 0.00 H new ATOM 275 N SER A 15 -14.223 -6.117 11.008 1.00 0.00 N ATOM 276 CA SER A 15 -14.400 -7.407 10.351 1.00 0.00 C ATOM 277 C SER A 15 -13.644 -7.449 9.026 1.00 0.00 C ATOM 278 O SER A 15 -13.396 -6.415 8.406 1.00 0.00 O ATOM 279 CB SER A 15 -15.886 -7.681 10.112 1.00 0.00 C ATOM 280 OG SER A 15 -16.067 -8.797 9.257 1.00 0.00 O ATOM 0 H SER A 15 -14.769 -5.358 10.601 1.00 0.00 H new ATOM 0 HA SER A 15 -13.996 -8.180 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.383 -7.864 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.355 -6.801 9.671 1.00 0.00 H new ATOM 0 HG SER A 15 -17.025 -8.953 9.121 1.00 0.00 H new ATOM 286 N ARG A 16 -13.280 -8.654 8.599 1.00 0.00 N ATOM 287 CA ARG A 16 -12.550 -8.833 7.349 1.00 0.00 C ATOM 288 C ARG A 16 -13.501 -9.199 6.213 1.00 0.00 C ATOM 289 O ARG A 16 -13.515 -8.548 5.168 1.00 0.00 O ATOM 290 CB ARG A 16 -11.485 -9.919 7.507 1.00 0.00 C ATOM 291 CG ARG A 16 -10.615 -10.102 6.274 1.00 0.00 C ATOM 292 CD ARG A 16 -9.377 -10.929 6.583 1.00 0.00 C ATOM 293 NE ARG A 16 -9.687 -12.350 6.720 1.00 0.00 N ATOM 294 CZ ARG A 16 -8.844 -13.241 7.229 1.00 0.00 C ATOM 295 NH1 ARG A 16 -7.645 -12.860 7.648 1.00 0.00 N ATOM 296 NH2 ARG A 16 -9.199 -14.516 7.320 1.00 0.00 N ATOM 0 H ARG A 16 -13.478 -9.520 9.100 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.063 -7.890 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.849 -9.671 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.974 -10.865 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.193 -10.590 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.316 -9.127 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.643 -10.793 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.920 -10.567 7.504 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.602 -12.676 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.368 -11.881 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.999 -13.546 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.120 -14.813 6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.551 -15.199 7.711 1.00 0.00 H new ATOM 310 N ARG A 17 -14.293 -10.245 6.424 1.00 0.00 N ATOM 311 CA ARG A 17 -15.245 -10.699 5.418 1.00 0.00 C ATOM 312 C ARG A 17 -16.548 -9.911 5.508 1.00 0.00 C ATOM 313 O ARG A 17 -17.619 -10.421 5.177 1.00 0.00 O ATOM 314 CB ARG A 17 -15.527 -12.193 5.588 1.00 0.00 C ATOM 315 CG ARG A 17 -14.428 -13.087 5.038 1.00 0.00 C ATOM 316 CD ARG A 17 -13.356 -13.359 6.081 1.00 0.00 C ATOM 317 NE ARG A 17 -12.645 -14.608 5.822 1.00 0.00 N ATOM 318 CZ ARG A 17 -11.708 -14.742 4.890 1.00 0.00 C ATOM 319 NH1 ARG A 17 -11.370 -13.707 4.133 1.00 0.00 N ATOM 320 NH2 ARG A 17 -11.107 -15.911 4.715 1.00 0.00 N ATOM 0 H ARG A 17 -14.294 -10.794 7.283 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.805 -10.529 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.664 -12.410 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.465 -12.436 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.859 -14.031 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.976 -12.615 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.645 -12.533 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.814 -13.401 7.069 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.881 -15.423 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.830 -12.806 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.650 -13.812 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.364 -16.709 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.388 -16.013 3.999 1.00 0.00 H new ATOM 334 N CYS A 18 -16.450 -8.664 5.958 1.00 0.00 N ATOM 335 CA CYS A 18 -17.620 -7.805 6.093 1.00 0.00 C ATOM 336 C CYS A 18 -18.370 -7.695 4.769 1.00 0.00 C ATOM 337 O CYS A 18 -17.830 -7.204 3.777 1.00 0.00 O ATOM 338 CB CYS A 18 -17.204 -6.413 6.574 1.00 0.00 C ATOM 339 SG CYS A 18 -18.344 -5.083 6.075 1.00 0.00 S ATOM 0 H CYS A 18 -15.572 -8.226 6.235 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.286 -8.253 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -17.129 -6.423 7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.210 -6.189 6.188 1.00 0.00 H new ATOM 0 HG CYS A 18 -17.681 -3.974 5.930 1.00 0.00 H new ATOM 344 N MET A 19 -19.617 -8.153 4.761 1.00 0.00 N ATOM 345 CA MET A 19 -20.441 -8.105 3.559 1.00 0.00 C ATOM 346 C MET A 19 -21.644 -7.190 3.762 1.00 0.00 C ATOM 347 O MET A 19 -22.792 -7.622 3.652 1.00 0.00 O ATOM 348 CB MET A 19 -20.912 -9.510 3.181 1.00 0.00 C ATOM 349 CG MET A 19 -19.787 -10.429 2.733 1.00 0.00 C ATOM 350 SD MET A 19 -20.230 -12.173 2.841 1.00 0.00 S ATOM 351 CE MET A 19 -18.610 -12.937 2.800 1.00 0.00 C ATOM 0 H MET A 19 -20.079 -8.562 5.573 1.00 0.00 H new ATOM 0 HA MET A 19 -19.834 -7.703 2.748 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.416 -9.958 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.648 -9.434 2.381 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.516 -10.190 1.705 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.905 -10.243 3.347 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.663 -13.873 2.243 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.903 -12.265 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.277 -13.139 3.818 1.00 0.00 H new ATOM 361 N THR A 20 -21.375 -5.922 4.059 1.00 0.00 N ATOM 362 CA THR A 20 -22.436 -4.947 4.278 1.00 0.00 C ATOM 363 C THR A 20 -22.629 -4.060 3.053 1.00 0.00 C ATOM 364 O THR A 20 -21.666 -3.710 2.371 1.00 0.00 O ATOM 365 CB THR A 20 -22.137 -4.057 5.500 1.00 0.00 C ATOM 366 OG1 THR A 20 -22.318 -4.806 6.707 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.042 -2.835 5.514 1.00 0.00 C ATOM 0 H THR A 20 -20.431 -5.547 4.153 1.00 0.00 H new ATOM 0 HA THR A 20 -23.350 -5.511 4.463 1.00 0.00 H new ATOM 0 HB THR A 20 -21.102 -3.721 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.124 -4.234 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.812 -2.222 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.880 -2.252 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.083 -3.154 5.559 1.00 0.00 H new ATOM 375 N ARG A 21 -23.879 -3.699 2.781 1.00 0.00 N ATOM 376 CA ARG A 21 -24.198 -2.853 1.638 1.00 0.00 C ATOM 377 C ARG A 21 -23.472 -1.514 1.733 1.00 0.00 C ATOM 378 O ARG A 21 -23.637 -0.758 2.690 1.00 0.00 O ATOM 379 CB ARG A 21 -25.708 -2.622 1.553 1.00 0.00 C ATOM 380 CG ARG A 21 -26.201 -2.329 0.146 1.00 0.00 C ATOM 381 CD ARG A 21 -27.668 -2.693 -0.018 1.00 0.00 C ATOM 382 NE ARG A 21 -27.853 -4.118 -0.279 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.102 -5.013 0.670 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.197 -4.632 1.936 1.00 0.00 N ATOM 385 NH2 ARG A 21 -28.258 -6.292 0.353 1.00 0.00 N ATOM 0 H ARG A 21 -24.687 -3.979 3.337 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.864 -3.364 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.224 -3.504 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.977 -1.790 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.060 -1.271 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.604 -2.889 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.213 -2.416 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.095 -2.116 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 21 -27.787 -4.444 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.079 -3.649 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -28.388 -5.321 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -28.187 -6.589 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -28.449 -6.979 1.083 1.00 0.00 H new ATOM 399 N PRO A 22 -22.650 -1.213 0.717 1.00 0.00 N ATOM 400 CA PRO A 22 -21.883 0.035 0.663 1.00 0.00 C ATOM 401 C PRO A 22 -22.772 1.252 0.433 1.00 0.00 C ATOM 402 O PRO A 22 -23.332 1.426 -0.649 1.00 0.00 O ATOM 403 CB PRO A 22 -20.945 -0.176 -0.529 1.00 0.00 C ATOM 404 CG PRO A 22 -21.648 -1.166 -1.392 1.00 0.00 C ATOM 405 CD PRO A 22 -22.405 -2.068 -0.457 1.00 0.00 C ATOM 0 HA PRO A 22 -21.364 0.236 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.766 0.758 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.973 -0.551 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.325 -0.667 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -20.937 -1.734 -1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.337 -2.417 -0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.826 -2.953 -0.196 1.00 0.00 H new ATOM 413 N GLU A 23 -22.895 2.092 1.456 1.00 0.00 N ATOM 414 CA GLU A 23 -23.717 3.293 1.364 1.00 0.00 C ATOM 415 C GLU A 23 -22.859 4.516 1.056 1.00 0.00 C ATOM 416 O GLU A 23 -21.641 4.513 1.235 1.00 0.00 O ATOM 417 CB GLU A 23 -24.488 3.512 2.667 1.00 0.00 C ATOM 418 CG GLU A 23 -25.867 2.873 2.673 1.00 0.00 C ATOM 419 CD GLU A 23 -26.597 3.051 1.356 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.306 4.068 1.202 1.00 0.00 O ATOM 421 OE2 GLU A 23 -26.460 2.173 0.478 1.00 0.00 O ATOM 0 H GLU A 23 -22.436 1.963 2.358 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.428 3.154 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.906 3.109 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.592 4.583 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.770 1.809 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.462 3.309 3.476 1.00 0.00 H new ATOM 428 N PRO A 24 -23.508 5.589 0.580 1.00 0.00 N ATOM 429 CA PRO A 24 -22.825 6.840 0.237 1.00 0.00 C ATOM 430 C PRO A 24 -22.310 7.576 1.469 1.00 0.00 C ATOM 431 O PRO A 24 -21.802 8.693 1.371 1.00 0.00 O ATOM 432 CB PRO A 24 -23.915 7.660 -0.459 1.00 0.00 C ATOM 433 CG PRO A 24 -25.195 7.127 0.085 1.00 0.00 C ATOM 434 CD PRO A 24 -24.959 5.664 0.341 1.00 0.00 C ATOM 0 HA PRO A 24 -21.943 6.667 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.807 8.724 -0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -23.866 7.545 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.474 7.644 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.011 7.273 -0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.527 5.310 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.258 5.054 -0.511 1.00 0.00 H new ATOM 442 N GLY A 25 -22.444 6.943 2.631 1.00 0.00 N ATOM 443 CA GLY A 25 -21.986 7.553 3.866 1.00 0.00 C ATOM 444 C GLY A 25 -21.770 6.536 4.969 1.00 0.00 C ATOM 445 O GLY A 25 -20.671 6.426 5.513 1.00 0.00 O ATOM 0 H GLY A 25 -22.862 6.019 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.054 8.087 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.716 8.292 4.195 1.00 0.00 H new ATOM 449 N ILE A 26 -22.821 5.794 5.302 1.00 0.00 N ATOM 450 CA ILE A 26 -22.740 4.782 6.348 1.00 0.00 C ATOM 451 C ILE A 26 -21.496 3.916 6.181 1.00 0.00 C ATOM 452 O ILE A 26 -20.584 3.956 7.007 1.00 0.00 O ATOM 453 CB ILE A 26 -23.986 3.877 6.352 1.00 0.00 C ATOM 454 CG1 ILE A 26 -25.177 4.614 6.968 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.702 2.590 7.113 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.615 5.824 6.173 1.00 0.00 C ATOM 0 H ILE A 26 -23.738 5.875 4.863 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.684 5.314 7.298 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.235 3.621 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -26.016 3.923 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.916 4.928 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.592 1.960 7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.879 2.059 6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.432 2.828 8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.463 6.297 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.791 6.534 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.907 5.514 5.170 1.00 0.00 H new ATOM 468 N SER A 27 -21.465 3.136 5.105 1.00 0.00 N ATOM 469 CA SER A 27 -20.334 2.258 4.830 1.00 0.00 C ATOM 470 C SER A 27 -19.993 2.262 3.343 1.00 0.00 C ATOM 471 O SER A 27 -20.786 2.707 2.513 1.00 0.00 O ATOM 472 CB SER A 27 -20.644 0.832 5.290 1.00 0.00 C ATOM 473 OG SER A 27 -21.292 0.096 4.267 1.00 0.00 O ATOM 0 H SER A 27 -22.210 3.094 4.410 1.00 0.00 H new ATOM 0 HA SER A 27 -19.473 2.631 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.720 0.329 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.277 0.862 6.177 1.00 0.00 H new ATOM 0 HG SER A 27 -22.248 0.312 4.264 1.00 0.00 H new ATOM 479 N CYS A 28 -18.806 1.763 3.013 1.00 0.00 N ATOM 480 CA CYS A 28 -18.357 1.708 1.627 1.00 0.00 C ATOM 481 C CYS A 28 -17.989 0.281 1.231 1.00 0.00 C ATOM 482 O CYS A 28 -17.979 -0.623 2.066 1.00 0.00 O ATOM 483 CB CYS A 28 -17.156 2.633 1.422 1.00 0.00 C ATOM 484 SG CYS A 28 -15.632 2.067 2.245 1.00 0.00 S ATOM 0 H CYS A 28 -18.137 1.391 3.687 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.177 2.042 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -16.964 2.731 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.409 3.626 1.792 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.831 2.000 3.528 1.00 0.00 H new ATOM 489 N ASP A 29 -17.686 0.088 -0.048 1.00 0.00 N ATOM 490 CA ASP A 29 -17.315 -1.228 -0.556 1.00 0.00 C ATOM 491 C ASP A 29 -15.969 -1.669 0.011 1.00 0.00 C ATOM 492 O ASP A 29 -15.158 -0.842 0.428 1.00 0.00 O ATOM 493 CB ASP A 29 -17.259 -1.211 -2.084 1.00 0.00 C ATOM 494 CG ASP A 29 -18.509 -0.617 -2.703 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.736 0.599 -2.533 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.260 -1.369 -3.359 1.00 0.00 O ATOM 0 H ASP A 29 -17.690 0.826 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.075 -1.942 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.390 -0.638 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.124 -2.228 -2.451 1.00 0.00 H new ATOM 501 N LEU A 30 -15.739 -2.978 0.023 1.00 0.00 N ATOM 502 CA LEU A 30 -14.492 -3.530 0.540 1.00 0.00 C ATOM 503 C LEU A 30 -13.568 -3.948 -0.600 1.00 0.00 C ATOM 504 O LEU A 30 -14.020 -4.479 -1.615 1.00 0.00 O ATOM 505 CB LEU A 30 -14.779 -4.730 1.445 1.00 0.00 C ATOM 506 CG LEU A 30 -15.014 -4.414 2.922 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.790 -5.538 3.591 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.690 -4.181 3.635 1.00 0.00 C ATOM 0 H LEU A 30 -16.399 -3.676 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.994 -2.755 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.658 -5.248 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.942 -5.424 1.371 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.606 -3.501 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.948 -5.296 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.754 -5.658 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.225 -6.467 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.877 -3.957 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.073 -5.076 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.170 -3.342 3.172 1.00 0.00 H new ATOM 520 N ILE A 31 -12.274 -3.707 -0.425 1.00 0.00 N ATOM 521 CA ILE A 31 -11.287 -4.061 -1.437 1.00 0.00 C ATOM 522 C ILE A 31 -10.079 -4.750 -0.810 1.00 0.00 C ATOM 523 O ILE A 31 -9.785 -4.559 0.369 1.00 0.00 O ATOM 524 CB ILE A 31 -10.809 -2.821 -2.216 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.312 -1.745 -1.249 1.00 0.00 C ATOM 526 CG2 ILE A 31 -11.931 -2.279 -3.089 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.840 -1.861 -0.921 1.00 0.00 C ATOM 0 H ILE A 31 -11.884 -3.268 0.409 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.776 -4.748 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.981 -3.113 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.503 -0.763 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.888 -1.804 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.578 -1.403 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.243 -3.046 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.777 -2.000 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.557 -1.066 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.645 -2.829 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.255 -1.771 -1.836 1.00 0.00 H new ATOM 539 N GLY A 32 -9.382 -5.552 -1.609 1.00 0.00 N ATOM 540 CA GLY A 32 -8.213 -6.257 -1.116 1.00 0.00 C ATOM 541 C GLY A 32 -6.939 -5.450 -1.277 1.00 0.00 C ATOM 542 O GLY A 32 -6.733 -4.799 -2.301 1.00 0.00 O ATOM 0 H GLY A 32 -9.606 -5.726 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.356 -6.499 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.111 -7.202 -1.649 1.00 0.00 H new ATOM 546 N CYS A 33 -6.083 -5.492 -0.262 1.00 0.00 N ATOM 547 CA CYS A 33 -4.823 -4.758 -0.293 1.00 0.00 C ATOM 548 C CYS A 33 -4.190 -4.824 -1.680 1.00 0.00 C ATOM 549 O CYS A 33 -4.104 -5.884 -2.300 1.00 0.00 O ATOM 550 CB CYS A 33 -3.855 -5.320 0.750 1.00 0.00 C ATOM 551 SG CYS A 33 -2.445 -4.228 1.120 1.00 0.00 S ATOM 0 H CYS A 33 -6.239 -6.027 0.593 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.033 -3.715 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.403 -5.513 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.475 -6.279 0.398 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.503 -3.850 2.362 1.00 0.00 H new ATOM 556 N PRO A 34 -3.734 -3.665 -2.178 1.00 0.00 N ATOM 557 CA PRO A 34 -3.100 -3.565 -3.496 1.00 0.00 C ATOM 558 C PRO A 34 -1.729 -4.232 -3.531 1.00 0.00 C ATOM 559 O PRO A 34 -1.056 -4.237 -4.563 1.00 0.00 O ATOM 560 CB PRO A 34 -2.966 -2.056 -3.711 1.00 0.00 C ATOM 561 CG PRO A 34 -2.929 -1.479 -2.338 1.00 0.00 C ATOM 562 CD PRO A 34 -3.804 -2.363 -1.494 1.00 0.00 C ATOM 0 HA PRO A 34 -3.681 -4.069 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.060 -1.814 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.806 -1.662 -4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.910 -1.455 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.294 -0.452 -2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.440 -2.428 -0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.827 -1.989 -1.446 1.00 0.00 H new ATOM 570 N LEU A 35 -1.320 -4.793 -2.399 1.00 0.00 N ATOM 571 CA LEU A 35 -0.028 -5.464 -2.300 1.00 0.00 C ATOM 572 C LEU A 35 -0.205 -6.936 -1.941 1.00 0.00 C ATOM 573 O LEU A 35 0.737 -7.596 -1.502 1.00 0.00 O ATOM 574 CB LEU A 35 0.849 -4.774 -1.254 1.00 0.00 C ATOM 575 CG LEU A 35 1.254 -3.332 -1.564 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.066 -2.748 -0.418 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.041 -3.268 -2.864 1.00 0.00 C ATOM 0 H LEU A 35 -1.864 -4.797 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 35 0.461 -5.402 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.320 -4.785 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.756 -5.365 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 35 0.348 -2.737 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.345 -1.722 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.469 -2.759 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.966 -3.344 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.321 -2.235 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.941 -3.877 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.426 -3.646 -3.681 1.00 0.00 H new ATOM 589 N VAL A 36 -1.418 -7.445 -2.134 1.00 0.00 N ATOM 590 CA VAL A 36 -1.717 -8.840 -1.833 1.00 0.00 C ATOM 591 C VAL A 36 -1.140 -9.248 -0.482 1.00 0.00 C ATOM 592 O VAL A 36 -0.700 -10.383 -0.300 1.00 0.00 O ATOM 593 CB VAL A 36 -1.163 -9.780 -2.921 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.711 -9.398 -4.287 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.358 -9.755 -2.921 1.00 0.00 C ATOM 0 H VAL A 36 -2.209 -6.913 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.803 -8.931 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.487 -10.797 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.308 -10.073 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.798 -9.472 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.419 -8.375 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.733 -10.424 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.705 -8.741 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.727 -10.082 -1.949 1.00 0.00 H new ATOM 605 N CYS A 37 -1.145 -8.314 0.463 1.00 0.00 N ATOM 606 CA CYS A 37 -0.622 -8.575 1.799 1.00 0.00 C ATOM 607 C CYS A 37 -1.431 -9.665 2.496 1.00 0.00 C ATOM 608 O CYS A 37 -0.919 -10.376 3.360 1.00 0.00 O ATOM 609 CB CYS A 37 -0.643 -7.294 2.636 1.00 0.00 C ATOM 610 SG CYS A 37 -2.218 -6.996 3.500 1.00 0.00 S ATOM 0 H CYS A 37 -1.505 -7.369 0.328 1.00 0.00 H new ATOM 0 HA CYS A 37 0.407 -8.919 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.160 -7.341 3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.431 -6.445 1.986 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.738 -5.880 3.082 1.00 0.00 H new ATOM 615 N GLY A 38 -2.699 -9.789 2.115 1.00 0.00 N ATOM 616 CA GLY A 38 -3.559 -10.794 2.713 1.00 0.00 C ATOM 617 C GLY A 38 -4.486 -10.213 3.763 1.00 0.00 C ATOM 618 O GLY A 38 -4.589 -10.740 4.870 1.00 0.00 O ATOM 0 H GLY A 38 -3.146 -9.211 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.152 -11.271 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.944 -11.571 3.166 1.00 0.00 H new ATOM 622 N ALA A 39 -5.161 -9.122 3.415 1.00 0.00 N ATOM 623 CA ALA A 39 -6.084 -8.470 4.335 1.00 0.00 C ATOM 624 C ALA A 39 -7.166 -7.706 3.578 1.00 0.00 C ATOM 625 O ALA A 39 -6.879 -6.995 2.615 1.00 0.00 O ATOM 626 CB ALA A 39 -5.328 -7.533 5.266 1.00 0.00 C ATOM 0 H ALA A 39 -5.086 -8.672 2.503 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.570 -9.243 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.030 -7.053 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.597 -8.102 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.815 -6.772 4.678 1.00 0.00 H new ATOM 632 N VAL A 40 -8.410 -7.860 4.019 1.00 0.00 N ATOM 633 CA VAL A 40 -9.535 -7.185 3.382 1.00 0.00 C ATOM 634 C VAL A 40 -10.043 -6.033 4.243 1.00 0.00 C ATOM 635 O VAL A 40 -10.508 -6.240 5.364 1.00 0.00 O ATOM 636 CB VAL A 40 -10.696 -8.160 3.113 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.888 -7.423 2.521 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.244 -9.285 2.194 1.00 0.00 C ATOM 0 H VAL A 40 -8.665 -8.446 4.814 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.172 -6.793 2.432 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.006 -8.598 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.698 -8.129 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.225 -6.657 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.596 -6.954 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.077 -9.965 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.906 -8.867 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.425 -9.831 2.662 1.00 0.00 H new ATOM 648 N PHE A 41 -9.951 -4.819 3.711 1.00 0.00 N ATOM 649 CA PHE A 41 -10.401 -3.633 4.430 1.00 0.00 C ATOM 650 C PHE A 41 -11.239 -2.734 3.526 1.00 0.00 C ATOM 651 O PHE A 41 -11.273 -2.916 2.309 1.00 0.00 O ATOM 652 CB PHE A 41 -9.201 -2.854 4.972 1.00 0.00 C ATOM 653 CG PHE A 41 -7.977 -2.961 4.108 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.097 -4.020 4.258 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.706 -2.001 3.146 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.970 -4.122 3.464 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.581 -2.097 2.349 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.711 -3.158 2.509 1.00 0.00 C ATOM 0 H PHE A 41 -9.569 -4.631 2.784 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.022 -3.958 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.475 -1.804 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.963 -3.218 5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.294 -4.775 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.382 -1.168 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.293 -4.954 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.382 -1.343 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.830 -3.234 1.889 1.00 0.00 H new ATOM 668 N HIS A 42 -11.916 -1.762 4.131 1.00 0.00 N ATOM 669 CA HIS A 42 -12.754 -0.834 3.381 1.00 0.00 C ATOM 670 C HIS A 42 -11.901 0.114 2.543 1.00 0.00 C ATOM 671 O HIS A 42 -10.964 0.731 3.047 1.00 0.00 O ATOM 672 CB HIS A 42 -13.641 -0.032 4.334 1.00 0.00 C ATOM 673 CG HIS A 42 -14.873 -0.766 4.766 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.008 -0.856 3.987 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.144 -1.449 5.903 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.924 -1.560 4.627 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.424 -1.932 5.792 1.00 0.00 N ATOM 0 H HIS A 42 -11.900 -1.597 5.137 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.386 -1.415 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.061 0.238 5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.934 0.899 3.848 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.122 -0.443 3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.477 -1.588 6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.913 -1.792 4.261 1.00 0.00 H new ATOM 685 N SER A 43 -12.233 0.223 1.260 1.00 0.00 N ATOM 686 CA SER A 43 -11.494 1.091 0.351 1.00 0.00 C ATOM 687 C SER A 43 -11.016 2.349 1.070 1.00 0.00 C ATOM 688 O SER A 43 -9.891 2.806 0.863 1.00 0.00 O ATOM 689 CB SER A 43 -12.369 1.475 -0.844 1.00 0.00 C ATOM 690 OG SER A 43 -13.350 2.427 -0.474 1.00 0.00 O ATOM 0 H SER A 43 -13.008 -0.279 0.827 1.00 0.00 H new ATOM 0 HA SER A 43 -10.622 0.544 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.745 1.882 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.855 0.585 -1.244 1.00 0.00 H new ATOM 0 HG SER A 43 -13.861 2.090 0.291 1.00 0.00 H new ATOM 696 N CYS A 44 -11.878 2.904 1.915 1.00 0.00 N ATOM 697 CA CYS A 44 -11.545 4.109 2.665 1.00 0.00 C ATOM 698 C CYS A 44 -10.444 3.829 3.684 1.00 0.00 C ATOM 699 O CYS A 44 -9.489 4.597 3.809 1.00 0.00 O ATOM 700 CB CYS A 44 -12.787 4.650 3.377 1.00 0.00 C ATOM 701 SG CYS A 44 -13.288 3.683 4.837 1.00 0.00 S ATOM 0 H CYS A 44 -12.813 2.538 2.098 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.182 4.857 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.598 5.679 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.616 4.676 2.670 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.486 3.211 4.655 1.00 0.00 H new ATOM 706 N LYS A 45 -10.583 2.725 4.409 1.00 0.00 N ATOM 707 CA LYS A 45 -9.600 2.341 5.416 1.00 0.00 C ATOM 708 C LYS A 45 -8.237 2.091 4.778 1.00 0.00 C ATOM 709 O LYS A 45 -7.200 2.350 5.387 1.00 0.00 O ATOM 710 CB LYS A 45 -10.064 1.087 6.159 1.00 0.00 C ATOM 711 CG LYS A 45 -11.371 1.274 6.911 1.00 0.00 C ATOM 712 CD LYS A 45 -11.172 2.079 8.184 1.00 0.00 C ATOM 713 CE LYS A 45 -12.425 2.860 8.551 1.00 0.00 C ATOM 714 NZ LYS A 45 -12.108 4.064 9.368 1.00 0.00 N ATOM 0 H LYS A 45 -11.367 2.079 4.318 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.504 3.162 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.179 0.273 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.289 0.785 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.092 1.780 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.792 0.300 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.907 1.409 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.338 2.768 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.943 3.164 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.106 2.214 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.876 4.759 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.009 3.790 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.218 4.485 9.034 1.00 0.00 H new ATOM 728 N ALA A 46 -8.248 1.589 3.547 1.00 0.00 N ATOM 729 CA ALA A 46 -7.012 1.309 2.826 1.00 0.00 C ATOM 730 C ALA A 46 -5.959 2.375 3.106 1.00 0.00 C ATOM 731 O ALA A 46 -4.852 2.067 3.547 1.00 0.00 O ATOM 732 CB ALA A 46 -7.284 1.211 1.332 1.00 0.00 C ATOM 0 H ALA A 46 -9.098 1.368 3.029 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.624 0.353 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.353 1.002 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.996 0.407 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.699 2.154 0.975 1.00 0.00 H new ATOM 738 N ASP A 47 -6.310 3.630 2.847 1.00 0.00 N ATOM 739 CA ASP A 47 -5.395 4.742 3.071 1.00 0.00 C ATOM 740 C ASP A 47 -4.622 4.556 4.373 1.00 0.00 C ATOM 741 O ASP A 47 -3.394 4.636 4.393 1.00 0.00 O ATOM 742 CB ASP A 47 -6.163 6.064 3.105 1.00 0.00 C ATOM 743 CG ASP A 47 -6.903 6.337 1.810 1.00 0.00 C ATOM 744 OD1 ASP A 47 -6.346 6.035 0.734 1.00 0.00 O ATOM 745 OD2 ASP A 47 -8.039 6.852 1.873 1.00 0.00 O ATOM 0 H ASP A 47 -7.223 3.902 2.481 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.683 4.765 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.875 6.046 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.468 6.880 3.302 1.00 0.00 H new ATOM 750 N GLU A 48 -5.349 4.307 5.457 1.00 0.00 N ATOM 751 CA GLU A 48 -4.731 4.111 6.763 1.00 0.00 C ATOM 752 C GLU A 48 -4.012 2.767 6.829 1.00 0.00 C ATOM 753 O GLU A 48 -2.832 2.697 7.172 1.00 0.00 O ATOM 754 CB GLU A 48 -5.786 4.193 7.869 1.00 0.00 C ATOM 755 CG GLU A 48 -6.434 5.561 7.991 1.00 0.00 C ATOM 756 CD GLU A 48 -5.421 6.690 7.988 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.745 6.884 9.020 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.305 7.378 6.953 1.00 0.00 O ATOM 0 H GLU A 48 -6.367 4.236 5.457 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.997 4.903 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.560 3.450 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.323 3.933 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.132 5.703 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.016 5.602 8.912 1.00 0.00 H new ATOM 765 N HIS A 49 -4.733 1.700 6.497 1.00 0.00 N ATOM 766 CA HIS A 49 -4.165 0.357 6.518 1.00 0.00 C ATOM 767 C HIS A 49 -2.759 0.353 5.928 1.00 0.00 C ATOM 768 O HIS A 49 -1.804 -0.078 6.576 1.00 0.00 O ATOM 769 CB HIS A 49 -5.060 -0.610 5.742 1.00 0.00 C ATOM 770 CG HIS A 49 -4.413 -1.932 5.463 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.461 -2.994 6.341 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.701 -2.361 4.394 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.805 -4.018 5.826 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.335 -3.660 4.645 1.00 0.00 N ATOM 0 H HIS A 49 -5.711 1.740 6.210 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.105 0.030 7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.977 -0.776 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.346 -0.148 4.797 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.930 -2.989 7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.465 -1.788 3.509 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.675 -4.984 6.292 1.00 0.00 H new ATOM 782 N ARG A 50 -2.638 0.833 4.695 1.00 0.00 N ATOM 783 CA ARG A 50 -1.348 0.882 4.017 1.00 0.00 C ATOM 784 C ARG A 50 -0.245 1.316 4.978 1.00 0.00 C ATOM 785 O ARG A 50 0.882 0.824 4.909 1.00 0.00 O ATOM 786 CB ARG A 50 -1.410 1.843 2.828 1.00 0.00 C ATOM 787 CG ARG A 50 -2.112 1.261 1.611 1.00 0.00 C ATOM 788 CD ARG A 50 -1.900 2.127 0.379 1.00 0.00 C ATOM 789 NE ARG A 50 -0.490 2.223 0.013 1.00 0.00 N ATOM 790 CZ ARG A 50 -0.067 2.553 -1.202 1.00 0.00 C ATOM 791 NH1 ARG A 50 -0.941 2.819 -2.163 1.00 0.00 N ATOM 792 NH2 ARG A 50 1.234 2.619 -1.458 1.00 0.00 N ATOM 0 H ARG A 50 -3.418 1.194 4.145 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.117 -0.120 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.926 2.753 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.396 2.129 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.737 0.256 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.179 1.170 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.464 1.713 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.295 3.126 0.566 1.00 0.00 H new ATOM 0 HE ARG A 50 0.209 2.026 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.941 2.771 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.613 3.072 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.910 2.416 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.558 2.872 -2.391 1.00 0.00 H new ATOM 806 N LEU A 51 -0.577 2.241 5.872 1.00 0.00 N ATOM 807 CA LEU A 51 0.386 2.742 6.848 1.00 0.00 C ATOM 808 C LEU A 51 0.895 1.613 7.739 1.00 0.00 C ATOM 809 O LEU A 51 2.093 1.510 8.004 1.00 0.00 O ATOM 810 CB LEU A 51 -0.251 3.837 7.705 1.00 0.00 C ATOM 811 CG LEU A 51 -0.829 5.032 6.947 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.731 5.854 7.854 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.289 5.895 6.379 1.00 0.00 C ATOM 0 H LEU A 51 -1.505 2.659 5.942 1.00 0.00 H new ATOM 0 HA LEU A 51 1.233 3.161 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.048 3.389 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.499 4.205 8.405 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.428 4.656 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.133 6.700 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.552 5.232 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.156 6.220 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.141 6.741 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.915 6.261 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.895 5.301 5.694 1.00 0.00 H new ATOM 825 N LEU A 52 -0.022 0.769 8.198 1.00 0.00 N ATOM 826 CA LEU A 52 0.334 -0.354 9.058 1.00 0.00 C ATOM 827 C LEU A 52 0.855 -1.527 8.235 1.00 0.00 C ATOM 828 O LEU A 52 1.927 -2.067 8.512 1.00 0.00 O ATOM 829 CB LEU A 52 -0.877 -0.793 9.884 1.00 0.00 C ATOM 830 CG LEU A 52 -1.765 0.329 10.422 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.961 -0.247 11.165 1.00 0.00 C ATOM 832 CD2 LEU A 52 -0.966 1.253 11.329 1.00 0.00 C ATOM 0 H LEU A 52 -1.018 0.841 7.989 1.00 0.00 H new ATOM 0 HA LEU A 52 1.126 -0.027 9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.491 -1.452 9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.521 -1.384 10.728 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.134 0.911 9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.582 0.566 11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.547 -0.867 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.612 -0.854 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.614 2.046 11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.568 0.684 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.143 1.693 10.766 1.00 0.00 H new ATOM 844 N CYS A 53 0.091 -1.916 7.219 1.00 0.00 N ATOM 845 CA CYS A 53 0.476 -3.024 6.353 1.00 0.00 C ATOM 846 C CYS A 53 1.993 -3.096 6.204 1.00 0.00 C ATOM 847 O CYS A 53 2.661 -2.106 5.907 1.00 0.00 O ATOM 848 CB CYS A 53 -0.176 -2.872 4.977 1.00 0.00 C ATOM 849 SG CYS A 53 0.163 -4.253 3.838 1.00 0.00 S ATOM 0 H CYS A 53 -0.798 -1.480 6.976 1.00 0.00 H new ATOM 0 HA CYS A 53 0.129 -3.950 6.812 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.254 -2.778 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.173 -1.945 4.522 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.826 -5.096 3.871 1.00 0.00 H new ATOM 854 N PRO A 54 2.551 -4.298 6.415 1.00 0.00 N ATOM 855 CA PRO A 54 3.994 -4.530 6.310 1.00 0.00 C ATOM 856 C PRO A 54 4.492 -4.443 4.871 1.00 0.00 C ATOM 857 O PRO A 54 5.590 -3.951 4.612 1.00 0.00 O ATOM 858 CB PRO A 54 4.166 -5.952 6.849 1.00 0.00 C ATOM 859 CG PRO A 54 2.847 -6.606 6.620 1.00 0.00 C ATOM 860 CD PRO A 54 1.815 -5.522 6.773 1.00 0.00 C ATOM 0 HA PRO A 54 4.567 -3.780 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.965 -6.479 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.426 -5.945 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.800 -7.052 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.679 -7.409 7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.961 -5.684 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.429 -5.475 7.791 1.00 0.00 H new ATOM 868 N PHE A 55 3.676 -4.923 3.938 1.00 0.00 N ATOM 869 CA PHE A 55 4.034 -4.899 2.524 1.00 0.00 C ATOM 870 C PHE A 55 4.352 -3.479 2.067 1.00 0.00 C ATOM 871 O PHE A 55 5.189 -3.272 1.189 1.00 0.00 O ATOM 872 CB PHE A 55 2.897 -5.477 1.679 1.00 0.00 C ATOM 873 CG PHE A 55 2.965 -6.969 1.520 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.994 -7.796 2.631 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.001 -7.544 0.260 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.058 -9.169 2.488 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.064 -8.916 0.110 1.00 0.00 C ATOM 878 CZ PHE A 55 3.092 -9.730 1.226 1.00 0.00 C ATOM 0 H PHE A 55 2.763 -5.333 4.135 1.00 0.00 H new ATOM 0 HA PHE A 55 4.925 -5.512 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.944 -5.212 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.917 -5.014 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.966 -7.363 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.980 -6.912 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.081 -9.803 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.091 -9.351 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.140 -10.803 1.112 1.00 0.00 H new ATOM 888 N GLU A 56 3.678 -2.505 2.669 1.00 0.00 N ATOM 889 CA GLU A 56 3.888 -1.104 2.323 1.00 0.00 C ATOM 890 C GLU A 56 5.374 -0.801 2.157 1.00 0.00 C ATOM 891 O GLU A 56 6.181 -1.097 3.038 1.00 0.00 O ATOM 892 CB GLU A 56 3.288 -0.194 3.398 1.00 0.00 C ATOM 893 CG GLU A 56 3.079 1.238 2.935 1.00 0.00 C ATOM 894 CD GLU A 56 4.385 1.961 2.669 1.00 0.00 C ATOM 895 OE1 GLU A 56 5.245 1.986 3.573 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.545 2.503 1.555 1.00 0.00 O ATOM 0 H GLU A 56 2.982 -2.660 3.398 1.00 0.00 H new ATOM 0 HA GLU A 56 3.387 -0.912 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.332 -0.607 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.943 -0.193 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.476 1.238 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.514 1.782 3.692 1.00 0.00 H new ATOM 903 N ARG A 57 5.728 -0.210 1.020 1.00 0.00 N ATOM 904 CA ARG A 57 7.117 0.131 0.737 1.00 0.00 C ATOM 905 C ARG A 57 7.647 1.140 1.752 1.00 0.00 C ATOM 906 O ARG A 57 7.200 2.286 1.795 1.00 0.00 O ATOM 907 CB ARG A 57 7.246 0.698 -0.678 1.00 0.00 C ATOM 908 CG ARG A 57 8.527 1.486 -0.903 1.00 0.00 C ATOM 909 CD ARG A 57 8.996 1.386 -2.346 1.00 0.00 C ATOM 910 NE ARG A 57 9.770 2.556 -2.753 1.00 0.00 N ATOM 911 CZ ARG A 57 9.225 3.731 -3.049 1.00 0.00 C ATOM 912 NH1 ARG A 57 7.910 3.891 -2.984 1.00 0.00 N ATOM 913 NH2 ARG A 57 9.996 4.748 -3.411 1.00 0.00 N ATOM 0 H ARG A 57 5.072 0.042 0.280 1.00 0.00 H new ATOM 0 HA ARG A 57 7.712 -0.779 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.203 -0.122 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.392 1.344 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.362 2.532 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.307 1.113 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.603 0.489 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.132 1.277 -3.001 1.00 0.00 H new ATOM 0 HE ARG A 57 10.784 2.466 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.314 3.111 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.494 4.794 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.008 4.628 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.577 5.650 -3.638 1.00 0.00 H new ATOM 927 N VAL A 58 8.602 0.705 2.568 1.00 0.00 N ATOM 928 CA VAL A 58 9.193 1.570 3.582 1.00 0.00 C ATOM 929 C VAL A 58 10.702 1.684 3.394 1.00 0.00 C ATOM 930 O VAL A 58 11.373 0.744 2.969 1.00 0.00 O ATOM 931 CB VAL A 58 8.901 1.051 5.002 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.402 0.957 5.239 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.569 -0.298 5.223 1.00 0.00 C ATOM 0 H VAL A 58 8.983 -0.241 2.547 1.00 0.00 H new ATOM 0 HA VAL A 58 8.739 2.554 3.463 1.00 0.00 H new ATOM 0 HB VAL A 58 9.314 1.759 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.216 0.588 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.953 1.944 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.961 0.272 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.353 -0.650 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.187 -1.016 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.647 -0.195 5.098 1.00 0.00 H new ATOM 943 N PRO A 59 11.251 2.864 3.719 1.00 0.00 N ATOM 944 CA PRO A 59 12.687 3.130 3.596 1.00 0.00 C ATOM 945 C PRO A 59 13.510 2.355 4.620 1.00 0.00 C ATOM 946 O PRO A 59 13.068 2.135 5.748 1.00 0.00 O ATOM 947 CB PRO A 59 12.793 4.635 3.854 1.00 0.00 C ATOM 948 CG PRO A 59 11.601 4.961 4.686 1.00 0.00 C ATOM 949 CD PRO A 59 10.511 4.030 4.232 1.00 0.00 C ATOM 0 HA PRO A 59 13.077 2.822 2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.718 4.883 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.790 5.198 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.815 4.823 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.305 6.002 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.848 3.756 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.890 4.484 3.459 1.00 0.00 H new ATOM 957 N CYS A 60 14.708 1.944 4.220 1.00 0.00 N ATOM 958 CA CYS A 60 15.593 1.193 5.102 1.00 0.00 C ATOM 959 C CYS A 60 15.635 1.819 6.492 1.00 0.00 C ATOM 960 O CYS A 60 15.980 2.992 6.647 1.00 0.00 O ATOM 961 CB CYS A 60 17.005 1.136 4.514 1.00 0.00 C ATOM 962 SG CYS A 60 18.289 0.647 5.710 1.00 0.00 S ATOM 0 H CYS A 60 15.089 2.118 3.290 1.00 0.00 H new ATOM 0 HA CYS A 60 15.202 0.180 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 60 17.012 0.433 3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.257 2.115 4.106 1.00 0.00 H new ATOM 0 HG CYS A 60 19.419 1.201 5.384 1.00 0.00 H new ATOM 967 N LEU A 61 15.281 1.031 7.501 1.00 0.00 N ATOM 968 CA LEU A 61 15.278 1.507 8.880 1.00 0.00 C ATOM 969 C LEU A 61 16.393 2.523 9.108 1.00 0.00 C ATOM 970 O LEU A 61 16.202 3.526 9.793 1.00 0.00 O ATOM 971 CB LEU A 61 15.438 0.332 9.847 1.00 0.00 C ATOM 972 CG LEU A 61 14.147 -0.372 10.265 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.426 -1.819 10.640 1.00 0.00 C ATOM 974 CD2 LEU A 61 13.489 0.364 11.424 1.00 0.00 C ATOM 0 H LEU A 61 14.992 0.059 7.390 1.00 0.00 H new ATOM 0 HA LEU A 61 14.322 1.996 9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.097 -0.404 9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.939 0.692 10.745 1.00 0.00 H new ATOM 0 HG LEU A 61 13.460 -0.363 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.496 -2.304 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.852 -2.341 9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.131 -1.850 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.571 -0.151 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.171 0.387 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.253 1.384 11.120 1.00 0.00 H new ATOM 986 N ASN A 62 17.558 2.255 8.526 1.00 0.00 N ATOM 987 CA ASN A 62 18.704 3.147 8.665 1.00 0.00 C ATOM 988 C ASN A 62 18.672 4.242 7.603 1.00 0.00 C ATOM 989 O ASN A 62 19.690 4.550 6.983 1.00 0.00 O ATOM 990 CB ASN A 62 20.009 2.355 8.558 1.00 0.00 C ATOM 991 CG ASN A 62 20.104 1.255 9.597 1.00 0.00 C ATOM 992 OD1 ASN A 62 20.034 1.513 10.799 1.00 0.00 O ATOM 993 ND2 ASN A 62 20.265 0.019 9.137 1.00 0.00 N ATOM 0 H ASN A 62 17.733 1.429 7.954 1.00 0.00 H new ATOM 0 HA ASN A 62 18.651 3.616 9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.085 1.918 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 20.854 3.034 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 62 20.336 -0.763 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 62 20.318 -0.148 8.132 1.00 0.00 H new ATOM 1000 N SER A 63 17.496 4.827 7.399 1.00 0.00 N ATOM 1001 CA SER A 63 17.331 5.886 6.410 1.00 0.00 C ATOM 1002 C SER A 63 18.197 7.093 6.757 1.00 0.00 C ATOM 1003 O SER A 63 18.833 7.685 5.885 1.00 0.00 O ATOM 1004 CB SER A 63 15.862 6.306 6.323 1.00 0.00 C ATOM 1005 OG SER A 63 15.512 7.164 7.395 1.00 0.00 O ATOM 0 H SER A 63 16.644 4.586 7.905 1.00 0.00 H new ATOM 0 HA SER A 63 17.649 5.499 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.681 6.812 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.226 5.421 6.339 1.00 0.00 H new ATOM 0 HG SER A 63 14.569 7.419 7.315 1.00 0.00 H new ATOM 1011 N ASP A 64 18.215 7.453 8.036 1.00 0.00 N ATOM 1012 CA ASP A 64 19.003 8.589 8.500 1.00 0.00 C ATOM 1013 C ASP A 64 20.370 8.614 7.824 1.00 0.00 C ATOM 1014 O ASP A 64 20.751 9.610 7.208 1.00 0.00 O ATOM 1015 CB ASP A 64 19.172 8.533 10.019 1.00 0.00 C ATOM 1016 CG ASP A 64 20.397 9.289 10.493 1.00 0.00 C ATOM 1017 OD1 ASP A 64 20.394 10.535 10.409 1.00 0.00 O ATOM 1018 OD2 ASP A 64 21.360 8.635 10.948 1.00 0.00 O ATOM 0 H ASP A 64 17.693 6.974 8.770 1.00 0.00 H new ATOM 0 HA ASP A 64 18.470 9.502 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.285 8.949 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 64 19.246 7.493 10.335 1.00 0.00 H new ATOM 1023 N PHE A 65 21.104 7.513 7.943 1.00 0.00 N ATOM 1024 CA PHE A 65 22.430 7.409 7.345 1.00 0.00 C ATOM 1025 C PHE A 65 22.406 7.858 5.887 1.00 0.00 C ATOM 1026 O PHE A 65 23.317 8.541 5.421 1.00 0.00 O ATOM 1027 CB PHE A 65 22.944 5.971 7.439 1.00 0.00 C ATOM 1028 CG PHE A 65 23.362 5.573 8.826 1.00 0.00 C ATOM 1029 CD1 PHE A 65 22.427 5.117 9.741 1.00 0.00 C ATOM 1030 CD2 PHE A 65 24.689 5.656 9.215 1.00 0.00 C ATOM 1031 CE1 PHE A 65 22.807 4.749 11.018 1.00 0.00 C ATOM 1032 CE2 PHE A 65 25.076 5.290 10.490 1.00 0.00 C ATOM 1033 CZ PHE A 65 24.134 4.837 11.393 1.00 0.00 C ATOM 0 H PHE A 65 20.803 6.680 8.448 1.00 0.00 H new ATOM 0 HA PHE A 65 23.103 8.065 7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 65 22.164 5.292 7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.792 5.852 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 65 21.388 5.048 9.453 1.00 0.00 H new ATOM 0 HD2 PHE A 65 25.430 6.011 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.068 4.393 11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 65 26.114 5.358 10.780 1.00 0.00 H new ATOM 0 HZ PHE A 65 24.434 4.552 12.391 1.00 0.00 H new ATOM 1043 N GLY A 66 21.355 7.469 5.171 1.00 0.00 N ATOM 1044 CA GLY A 66 21.231 7.839 3.774 1.00 0.00 C ATOM 1045 C GLY A 66 21.101 6.634 2.864 1.00 0.00 C ATOM 1046 O GLY A 66 21.708 6.586 1.793 1.00 0.00 O ATOM 0 H GLY A 66 20.587 6.904 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.360 8.481 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.103 8.422 3.477 1.00 0.00 H new ATOM 1050 N CYS A 67 20.310 5.655 3.290 1.00 0.00 N ATOM 1051 CA CYS A 67 20.104 4.442 2.508 1.00 0.00 C ATOM 1052 C CYS A 67 18.871 4.572 1.617 1.00 0.00 C ATOM 1053 O CYS A 67 17.733 4.575 2.086 1.00 0.00 O ATOM 1054 CB CYS A 67 19.952 3.233 3.433 1.00 0.00 C ATOM 1055 SG CYS A 67 20.432 1.649 2.671 1.00 0.00 S ATOM 0 H CYS A 67 19.801 5.678 4.173 1.00 0.00 H new ATOM 0 HA CYS A 67 20.977 4.297 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.558 3.393 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.914 3.167 3.760 1.00 0.00 H new ATOM 0 HG CYS A 67 20.796 0.814 3.598 1.00 0.00 H new ATOM 1060 N PRO A 68 19.102 4.683 0.300 1.00 0.00 N ATOM 1061 CA PRO A 68 18.024 4.815 -0.684 1.00 0.00 C ATOM 1062 C PRO A 68 17.216 3.530 -0.834 1.00 0.00 C ATOM 1063 O PRO A 68 16.163 3.518 -1.473 1.00 0.00 O ATOM 1064 CB PRO A 68 18.767 5.134 -1.984 1.00 0.00 C ATOM 1065 CG PRO A 68 20.126 4.554 -1.795 1.00 0.00 C ATOM 1066 CD PRO A 68 20.433 4.687 -0.329 1.00 0.00 C ATOM 0 HA PRO A 68 17.299 5.575 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.265 4.694 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.816 6.209 -2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.151 3.510 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.864 5.084 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.049 3.862 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.976 5.607 -0.114 1.00 0.00 H new ATOM 1074 N PHE A 69 17.714 2.450 -0.241 1.00 0.00 N ATOM 1075 CA PHE A 69 17.038 1.160 -0.309 1.00 0.00 C ATOM 1076 C PHE A 69 15.617 1.261 0.236 1.00 0.00 C ATOM 1077 O PHE A 69 15.378 1.884 1.271 1.00 0.00 O ATOM 1078 CB PHE A 69 17.823 0.107 0.476 1.00 0.00 C ATOM 1079 CG PHE A 69 18.904 -0.557 -0.328 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.137 0.053 -0.494 1.00 0.00 C ATOM 1081 CD2 PHE A 69 18.687 -1.792 -0.919 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.134 -0.555 -1.233 1.00 0.00 C ATOM 1083 CE2 PHE A 69 19.681 -2.405 -1.658 1.00 0.00 C ATOM 1084 CZ PHE A 69 20.905 -1.786 -1.816 1.00 0.00 C ATOM 0 H PHE A 69 18.584 2.443 0.292 1.00 0.00 H new ATOM 0 HA PHE A 69 16.987 0.860 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.270 0.577 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.132 -0.654 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.321 1.016 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 69 17.731 -2.280 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.091 -0.068 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 69 19.500 -3.368 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 69 21.682 -2.264 -2.394 1.00 0.00 H new ATOM 1094 N THR A 70 14.673 0.644 -0.470 1.00 0.00 N ATOM 1095 CA THR A 70 13.275 0.665 -0.059 1.00 0.00 C ATOM 1096 C THR A 70 12.626 -0.701 -0.248 1.00 0.00 C ATOM 1097 O THR A 70 12.766 -1.325 -1.299 1.00 0.00 O ATOM 1098 CB THR A 70 12.473 1.715 -0.851 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.722 1.566 -2.254 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.845 3.124 -0.413 1.00 0.00 C ATOM 0 H THR A 70 14.852 0.124 -1.329 1.00 0.00 H new ATOM 0 HA THR A 70 13.260 0.928 0.999 1.00 0.00 H new ATOM 0 HB THR A 70 11.413 1.557 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.796 2.451 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.266 3.848 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.628 3.244 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.908 3.290 -0.587 1.00 0.00 H new ATOM 1108 N MET A 71 11.916 -1.160 0.778 1.00 0.00 N ATOM 1109 CA MET A 71 11.243 -2.453 0.724 1.00 0.00 C ATOM 1110 C MET A 71 10.164 -2.550 1.797 1.00 0.00 C ATOM 1111 O MET A 71 10.004 -1.642 2.613 1.00 0.00 O ATOM 1112 CB MET A 71 12.256 -3.586 0.898 1.00 0.00 C ATOM 1113 CG MET A 71 13.220 -3.367 2.052 1.00 0.00 C ATOM 1114 SD MET A 71 14.711 -2.484 1.553 1.00 0.00 S ATOM 1115 CE MET A 71 14.560 -0.988 2.526 1.00 0.00 C ATOM 0 H MET A 71 11.792 -0.656 1.656 1.00 0.00 H new ATOM 0 HA MET A 71 10.768 -2.547 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.719 -4.521 1.056 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.826 -3.698 -0.024 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.717 -2.806 2.839 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.498 -4.332 2.476 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.319 -0.271 2.212 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.570 -0.556 2.378 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.699 -1.224 3.581 1.00 0.00 H new ATOM 1125 N ALA A 72 9.427 -3.655 1.791 1.00 0.00 N ATOM 1126 CA ALA A 72 8.365 -3.871 2.766 1.00 0.00 C ATOM 1127 C ALA A 72 8.935 -4.043 4.170 1.00 0.00 C ATOM 1128 O ALA A 72 10.051 -4.532 4.341 1.00 0.00 O ATOM 1129 CB ALA A 72 7.533 -5.085 2.379 1.00 0.00 C ATOM 0 H ALA A 72 9.546 -4.415 1.121 1.00 0.00 H new ATOM 0 HA ALA A 72 7.723 -2.990 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.744 -5.235 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.088 -4.923 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.171 -5.968 2.346 1.00 0.00 H new ATOM 1135 N ARG A 73 8.161 -3.637 5.171 1.00 0.00 N ATOM 1136 CA ARG A 73 8.590 -3.744 6.560 1.00 0.00 C ATOM 1137 C ARG A 73 8.992 -5.177 6.896 1.00 0.00 C ATOM 1138 O ARG A 73 9.954 -5.407 7.627 1.00 0.00 O ATOM 1139 CB ARG A 73 7.473 -3.283 7.498 1.00 0.00 C ATOM 1140 CG ARG A 73 7.409 -1.775 7.675 1.00 0.00 C ATOM 1141 CD ARG A 73 6.974 -1.397 9.082 1.00 0.00 C ATOM 1142 NE ARG A 73 8.115 -1.151 9.960 1.00 0.00 N ATOM 1143 CZ ARG A 73 8.660 0.047 10.139 1.00 0.00 C ATOM 1144 NH1 ARG A 73 8.170 1.103 9.503 1.00 0.00 N ATOM 1145 NH2 ARG A 73 9.696 0.191 10.954 1.00 0.00 N ATOM 0 H ARG A 73 7.234 -3.231 5.046 1.00 0.00 H new ATOM 0 HA ARG A 73 9.459 -3.100 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.517 -3.636 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.614 -3.749 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.387 -1.341 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.712 -1.352 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.349 -0.505 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.361 -2.196 9.499 1.00 0.00 H new ATOM 0 HE ARG A 73 8.515 -1.943 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.373 0.996 8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.590 2.022 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.075 -0.619 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.113 1.112 11.090 1.00 0.00 H new ATOM 1159 N ASN A 74 8.248 -6.137 6.356 1.00 0.00 N ATOM 1160 CA ASN A 74 8.526 -7.548 6.599 1.00 0.00 C ATOM 1161 C ASN A 74 9.615 -8.057 5.660 1.00 0.00 C ATOM 1162 O ASN A 74 9.865 -9.260 5.574 1.00 0.00 O ATOM 1163 CB ASN A 74 7.253 -8.378 6.419 1.00 0.00 C ATOM 1164 CG ASN A 74 7.509 -9.866 6.561 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.928 -10.337 7.619 1.00 0.00 O ATOM 1166 ND2 ASN A 74 7.258 -10.614 5.493 1.00 0.00 N ATOM 0 H ASN A 74 7.448 -5.964 5.747 1.00 0.00 H new ATOM 0 HA ASN A 74 8.878 -7.652 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.513 -8.067 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.828 -8.177 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.412 -11.622 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.912 -10.181 4.637 1.00 0.00 H new ATOM 1173 N LYS A 75 10.263 -7.134 4.957 1.00 0.00 N ATOM 1174 CA LYS A 75 11.327 -7.487 4.026 1.00 0.00 C ATOM 1175 C LYS A 75 12.623 -6.764 4.380 1.00 0.00 C ATOM 1176 O LYS A 75 13.716 -7.253 4.097 1.00 0.00 O ATOM 1177 CB LYS A 75 10.914 -7.142 2.593 1.00 0.00 C ATOM 1178 CG LYS A 75 10.124 -8.242 1.906 1.00 0.00 C ATOM 1179 CD LYS A 75 8.788 -8.479 2.591 1.00 0.00 C ATOM 1180 CE LYS A 75 7.787 -9.130 1.649 1.00 0.00 C ATOM 1181 NZ LYS A 75 8.111 -10.562 1.399 1.00 0.00 N ATOM 0 H LYS A 75 10.069 -6.134 5.015 1.00 0.00 H new ATOM 0 HA LYS A 75 11.499 -8.561 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.316 -6.231 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.808 -6.929 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.957 -7.974 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.704 -9.165 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.933 -9.114 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.388 -7.530 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.786 -9.053 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.775 -8.590 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.406 -10.970 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.056 -10.634 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.098 -11.083 2.299 1.00 0.00 H new ATOM 1195 N VAL A 76 12.493 -5.597 5.004 1.00 0.00 N ATOM 1196 CA VAL A 76 13.653 -4.808 5.400 1.00 0.00 C ATOM 1197 C VAL A 76 14.731 -5.690 6.020 1.00 0.00 C ATOM 1198 O VAL A 76 15.908 -5.584 5.676 1.00 0.00 O ATOM 1199 CB VAL A 76 13.266 -3.706 6.404 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.511 -3.055 6.988 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.375 -2.668 5.738 1.00 0.00 C ATOM 0 H VAL A 76 11.595 -5.177 5.246 1.00 0.00 H new ATOM 0 HA VAL A 76 14.044 -4.343 4.495 1.00 0.00 H new ATOM 0 HB VAL A 76 12.706 -4.162 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.218 -2.279 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.108 -3.808 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.100 -2.611 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.111 -1.897 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.907 -2.214 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.467 -3.148 5.372 1.00 0.00 H new ATOM 1211 N ALA A 77 14.321 -6.560 6.937 1.00 0.00 N ATOM 1212 CA ALA A 77 15.251 -7.462 7.604 1.00 0.00 C ATOM 1213 C ALA A 77 16.290 -8.001 6.626 1.00 0.00 C ATOM 1214 O ALA A 77 17.483 -7.738 6.767 1.00 0.00 O ATOM 1215 CB ALA A 77 14.496 -8.609 8.259 1.00 0.00 C ATOM 0 H ALA A 77 13.350 -6.659 7.235 1.00 0.00 H new ATOM 0 HA ALA A 77 15.775 -6.898 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.203 -9.275 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.797 -8.211 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.946 -9.164 7.499 1.00 0.00 H new ATOM 1221 N GLU A 78 15.827 -8.758 5.635 1.00 0.00 N ATOM 1222 CA GLU A 78 16.718 -9.334 4.635 1.00 0.00 C ATOM 1223 C GLU A 78 17.723 -8.298 4.140 1.00 0.00 C ATOM 1224 O GLU A 78 18.921 -8.570 4.056 1.00 0.00 O ATOM 1225 CB GLU A 78 15.911 -9.883 3.457 1.00 0.00 C ATOM 1226 CG GLU A 78 15.204 -11.193 3.760 1.00 0.00 C ATOM 1227 CD GLU A 78 14.064 -11.027 4.746 1.00 0.00 C ATOM 1228 OE1 GLU A 78 13.108 -10.290 4.427 1.00 0.00 O ATOM 1229 OE2 GLU A 78 14.129 -11.633 5.836 1.00 0.00 O ATOM 0 H GLU A 78 14.841 -8.986 5.504 1.00 0.00 H new ATOM 0 HA GLU A 78 17.267 -10.152 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.170 -9.141 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.578 -10.028 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.818 -11.616 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.925 -11.906 4.160 1.00 0.00 H new ATOM 1236 N HIS A 79 17.226 -7.110 3.812 1.00 0.00 N ATOM 1237 CA HIS A 79 18.079 -6.032 3.324 1.00 0.00 C ATOM 1238 C HIS A 79 19.139 -5.667 4.359 1.00 0.00 C ATOM 1239 O HIS A 79 20.327 -5.588 4.045 1.00 0.00 O ATOM 1240 CB HIS A 79 17.238 -4.802 2.982 1.00 0.00 C ATOM 1241 CG HIS A 79 18.046 -3.552 2.812 1.00 0.00 C ATOM 1242 ND1 HIS A 79 18.973 -3.387 1.805 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.061 -2.403 3.527 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.524 -2.191 1.909 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.988 -1.574 2.946 1.00 0.00 N ATOM 0 H HIS A 79 16.237 -6.869 3.875 1.00 0.00 H new ATOM 0 HA HIS A 79 18.582 -6.380 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.684 -4.995 2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.502 -4.645 3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.456 -2.180 4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.284 -1.787 1.257 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.224 -0.634 3.264 1.00 0.00 H new ATOM 1253 N LEU A 80 18.701 -5.446 5.594 1.00 0.00 N ATOM 1254 CA LEU A 80 19.611 -5.089 6.676 1.00 0.00 C ATOM 1255 C LEU A 80 20.853 -5.975 6.657 1.00 0.00 C ATOM 1256 O LEU A 80 21.952 -5.525 6.979 1.00 0.00 O ATOM 1257 CB LEU A 80 18.904 -5.212 8.026 1.00 0.00 C ATOM 1258 CG LEU A 80 17.940 -4.080 8.385 1.00 0.00 C ATOM 1259 CD1 LEU A 80 17.144 -4.432 9.632 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.698 -2.776 8.583 1.00 0.00 C ATOM 0 H LEU A 80 17.721 -5.508 5.870 1.00 0.00 H new ATOM 0 HA LEU A 80 19.922 -4.055 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.351 -6.151 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.662 -5.277 8.806 1.00 0.00 H new ATOM 0 HG LEU A 80 17.241 -3.948 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.464 -3.615 9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.570 -5.341 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.827 -4.592 10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.996 -1.982 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.421 -2.894 9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.221 -2.516 7.663 1.00 0.00 H new ATOM 1272 N GLU A 81 20.669 -7.235 6.277 1.00 0.00 N ATOM 1273 CA GLU A 81 21.776 -8.183 6.216 1.00 0.00 C ATOM 1274 C GLU A 81 22.850 -7.702 5.244 1.00 0.00 C ATOM 1275 O GLU A 81 24.039 -7.714 5.563 1.00 0.00 O ATOM 1276 CB GLU A 81 21.271 -9.564 5.792 1.00 0.00 C ATOM 1277 CG GLU A 81 20.310 -10.192 6.787 1.00 0.00 C ATOM 1278 CD GLU A 81 21.025 -10.908 7.916 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.881 -11.770 7.624 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.730 -10.607 9.092 1.00 0.00 O ATOM 0 H GLU A 81 19.765 -7.623 6.007 1.00 0.00 H new ATOM 0 HA GLU A 81 22.215 -8.254 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.775 -9.479 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.125 -10.228 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.666 -9.417 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.663 -10.898 6.266 1.00 0.00 H new ATOM 1287 N MET A 82 22.422 -7.281 4.059 1.00 0.00 N ATOM 1288 CA MET A 82 23.347 -6.796 3.041 1.00 0.00 C ATOM 1289 C MET A 82 23.213 -5.287 2.859 1.00 0.00 C ATOM 1290 O MET A 82 23.494 -4.754 1.785 1.00 0.00 O ATOM 1291 CB MET A 82 23.094 -7.507 1.711 1.00 0.00 C ATOM 1292 CG MET A 82 21.753 -7.162 1.083 1.00 0.00 C ATOM 1293 SD MET A 82 21.776 -7.286 -0.716 1.00 0.00 S ATOM 1294 CE MET A 82 21.439 -5.589 -1.177 1.00 0.00 C ATOM 0 H MET A 82 21.441 -7.266 3.780 1.00 0.00 H new ATOM 0 HA MET A 82 24.362 -7.015 3.374 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.890 -7.248 1.013 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.146 -8.584 1.869 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.988 -7.830 1.480 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.472 -6.149 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 82 21.421 -5.504 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.472 -5.287 -0.773 1.00 0.00 H new ATOM 0 HE3 MET A 82 22.218 -4.941 -0.775 1.00 0.00 H new ATOM 1304 N CYS A 83 22.780 -4.604 3.914 1.00 0.00 N ATOM 1305 CA CYS A 83 22.607 -3.157 3.870 1.00 0.00 C ATOM 1306 C CYS A 83 23.908 -2.443 4.226 1.00 0.00 C ATOM 1307 O CYS A 83 24.573 -2.766 5.210 1.00 0.00 O ATOM 1308 CB CYS A 83 21.497 -2.727 4.830 1.00 0.00 C ATOM 1309 SG CYS A 83 21.540 -0.960 5.272 1.00 0.00 S ATOM 0 H CYS A 83 22.543 -5.030 4.810 1.00 0.00 H new ATOM 0 HA CYS A 83 22.327 -2.879 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.532 -2.954 4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.569 -3.320 5.741 1.00 0.00 H new ATOM 0 HG CYS A 83 20.325 -0.509 5.374 1.00 0.00 H new ATOM 1314 N PRO A 84 24.280 -1.448 3.407 1.00 0.00 N ATOM 1315 CA PRO A 84 25.502 -0.667 3.615 1.00 0.00 C ATOM 1316 C PRO A 84 25.409 0.242 4.836 1.00 0.00 C ATOM 1317 O PRO A 84 26.343 0.325 5.633 1.00 0.00 O ATOM 1318 CB PRO A 84 25.612 0.167 2.335 1.00 0.00 C ATOM 1319 CG PRO A 84 24.214 0.277 1.833 1.00 0.00 C ATOM 1320 CD PRO A 84 23.535 -1.009 2.215 1.00 0.00 C ATOM 0 HA PRO A 84 26.366 -1.305 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.038 1.149 2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.259 -0.316 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.706 1.133 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.197 0.421 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.479 -0.855 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.589 -1.746 1.413 1.00 0.00 H new ATOM 1328 N ALA A 85 24.275 0.922 4.976 1.00 0.00 N ATOM 1329 CA ALA A 85 24.059 1.823 6.102 1.00 0.00 C ATOM 1330 C ALA A 85 24.457 1.162 7.417 1.00 0.00 C ATOM 1331 O ALA A 85 24.886 1.834 8.355 1.00 0.00 O ATOM 1332 CB ALA A 85 22.605 2.267 6.150 1.00 0.00 C ATOM 0 H ALA A 85 23.492 0.866 4.324 1.00 0.00 H new ATOM 0 HA ALA A 85 24.690 2.700 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.458 2.939 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.352 2.786 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.962 1.394 6.264 1.00 0.00 H new ATOM 1338 N SER A 86 24.311 -0.157 7.480 1.00 0.00 N ATOM 1339 CA SER A 86 24.651 -0.908 8.683 1.00 0.00 C ATOM 1340 C SER A 86 26.146 -1.211 8.730 1.00 0.00 C ATOM 1341 O SER A 86 26.560 -2.285 9.167 1.00 0.00 O ATOM 1342 CB SER A 86 23.853 -2.212 8.739 1.00 0.00 C ATOM 1343 OG SER A 86 23.618 -2.609 10.079 1.00 0.00 O ATOM 0 H SER A 86 23.959 -0.728 6.712 1.00 0.00 H new ATOM 0 HA SER A 86 24.394 -0.296 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.902 -2.082 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 86 24.396 -2.997 8.214 1.00 0.00 H new ATOM 0 HG SER A 86 23.105 -3.444 10.088 1.00 0.00 H new