USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=23 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= 0.642 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.305 K(o=-0.9,f=-0.2) USER MOD Set 1.3: A 67 CYS SG : rot 152:sc= 0.118 USER MOD Set 1.4: A 79 HIS : no HD1:sc= -1.99 K(o=-0.9,f=-0.2) USER MOD Set 1.5: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.6: A 83 CYS SG : rot 152:sc= 0.636 USER MOD Set 2.1: A 33 CYS SG : rot 112:sc= -0.726 USER MOD Set 2.2: A 37 CYS SG : rot -113:sc= -0.408 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -12.7! C(o=-14!,f=-13!) USER MOD Set 2.4: A 53 CYS SG : rot 151:sc= 0.0402 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -2.72! X(o=-13!,f=-13) USER MOD Set 3.2: A 9 HIS : no HD1:sc= -4.72! C(o=-13!,f=-13!) USER MOD Set 3.3: A 10 CYS SG : rot 134:sc= -1.54 USER MOD Set 3.4: A 13 CYS SG : rot -164:sc= 0.235 USER MOD Set 3.5: A 18 CYS SG : rot -146:sc= -0.11 USER MOD Set 3.6: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 3.7: A 28 CYS SG : rot -65:sc= -0.536 USER MOD Set 3.8: A 42 HIS : no HE2:sc= -2.55! C(o=-13!,f=-18!) USER MOD Set 3.9: A 43 SER OG : rot 180:sc= -0.173 USER MOD Set 3.10: A 44 CYS SG : rot -157:sc= -1.24! USER MOD Single : A 6 GLN : amide:sc= -0.9 K(o=-0.9,f=-1.9!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.046 USER MOD Single : A 12 ASN : amide:sc= -5.81! C(o=-5.8!,f=-9.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -79:sc= -0.0119 USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.437) USER MOD Single : A 63 SER OG : rot 180:sc= -0.146 USER MOD Single : A 70 THR OG1 : rot 46:sc= 0.00516 USER MOD Single : A 71 MET CE :methyl -169:sc= -2.1 (180deg=-2.74!) USER MOD Single : A 74 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -55:sc= 0.00236 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -14.739 10.051 6.221 1.00 0.00 N ATOM 148 CA GLN A 6 -14.712 8.672 6.696 1.00 0.00 C ATOM 149 C GLN A 6 -16.116 8.077 6.723 1.00 0.00 C ATOM 150 O GLN A 6 -17.090 8.742 6.366 1.00 0.00 O ATOM 151 CB GLN A 6 -14.089 8.604 8.091 1.00 0.00 C ATOM 152 CG GLN A 6 -14.960 9.215 9.177 1.00 0.00 C ATOM 153 CD GLN A 6 -14.170 9.596 10.414 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.007 9.991 10.324 1.00 0.00 O ATOM 155 NE2 GLN A 6 -14.799 9.479 11.577 1.00 0.00 N ATOM 0 HA GLN A 6 -14.104 8.088 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.890 7.562 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.128 9.118 8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.459 10.100 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.740 8.506 9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.763 9.147 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.318 9.721 12.443 1.00 0.00 H new ATOM 164 N HIS A 7 -16.213 6.822 7.148 1.00 0.00 N ATOM 165 CA HIS A 7 -17.499 6.137 7.221 1.00 0.00 C ATOM 166 C HIS A 7 -17.774 5.647 8.640 1.00 0.00 C ATOM 167 O HIS A 7 -16.974 4.911 9.218 1.00 0.00 O ATOM 168 CB HIS A 7 -17.530 4.959 6.248 1.00 0.00 C ATOM 169 CG HIS A 7 -17.623 5.372 4.811 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.926 4.743 3.801 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.338 6.355 4.217 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.207 5.324 2.648 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.062 6.304 2.872 1.00 0.00 N ATOM 0 H HIS A 7 -15.417 6.258 7.447 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.277 6.848 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.631 4.359 6.388 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.380 4.321 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.002 7.050 4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.805 5.044 1.685 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.454 6.923 2.162 1.00 0.00 H new ATOM 181 N SER A 8 -18.908 6.062 9.195 1.00 0.00 N ATOM 182 CA SER A 8 -19.285 5.669 10.548 1.00 0.00 C ATOM 183 C SER A 8 -19.036 4.180 10.771 1.00 0.00 C ATOM 184 O SER A 8 -18.612 3.765 11.850 1.00 0.00 O ATOM 185 CB SER A 8 -20.758 5.995 10.804 1.00 0.00 C ATOM 186 OG SER A 8 -21.605 5.024 10.214 1.00 0.00 O ATOM 0 H SER A 8 -19.582 6.670 8.729 1.00 0.00 H new ATOM 0 HA SER A 8 -18.668 6.232 11.249 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.943 6.039 11.877 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.991 6.980 10.399 1.00 0.00 H new ATOM 0 HG SER A 8 -22.541 5.254 10.393 1.00 0.00 H new ATOM 192 N HIS A 9 -19.301 3.382 9.742 1.00 0.00 N ATOM 193 CA HIS A 9 -19.105 1.939 9.824 1.00 0.00 C ATOM 194 C HIS A 9 -17.626 1.584 9.705 1.00 0.00 C ATOM 195 O HIS A 9 -17.003 1.144 10.671 1.00 0.00 O ATOM 196 CB HIS A 9 -19.901 1.231 8.726 1.00 0.00 C ATOM 197 CG HIS A 9 -19.535 -0.211 8.555 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.107 -1.225 9.293 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.649 -0.806 7.722 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.588 -2.382 8.923 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.701 -2.156 7.971 1.00 0.00 N ATOM 0 H HIS A 9 -19.652 3.710 8.842 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.464 1.603 10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.964 1.303 8.956 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.743 1.752 7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.019 -0.312 6.997 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.845 -3.349 9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.145 -2.868 7.498 1.00 0.00 H new ATOM 209 N CYS A 10 -17.070 1.777 8.513 1.00 0.00 N ATOM 210 CA CYS A 10 -15.665 1.476 8.267 1.00 0.00 C ATOM 211 C CYS A 10 -14.799 1.925 9.440 1.00 0.00 C ATOM 212 O CYS A 10 -14.060 1.130 10.020 1.00 0.00 O ATOM 213 CB CYS A 10 -15.194 2.158 6.980 1.00 0.00 C ATOM 214 SG CYS A 10 -16.222 1.787 5.523 1.00 0.00 S ATOM 0 H CYS A 10 -17.571 2.141 7.703 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.564 0.396 8.156 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.181 3.237 7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.168 1.853 6.775 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.484 2.889 4.885 1.00 0.00 H new ATOM 219 N VAL A 11 -14.895 3.206 9.783 1.00 0.00 N ATOM 220 CA VAL A 11 -14.122 3.761 10.888 1.00 0.00 C ATOM 221 C VAL A 11 -14.118 2.818 12.085 1.00 0.00 C ATOM 222 O VAL A 11 -13.119 2.700 12.792 1.00 0.00 O ATOM 223 CB VAL A 11 -14.675 5.130 11.328 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.449 6.171 10.243 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.153 5.020 11.673 1.00 0.00 C ATOM 0 H VAL A 11 -15.500 3.878 9.312 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.101 3.889 10.527 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.139 5.450 12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.846 7.131 10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.381 6.268 10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.958 5.861 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.528 5.996 11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.706 4.679 10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.285 4.307 12.487 1.00 0.00 H new ATOM 235 N ASN A 12 -15.244 2.147 12.306 1.00 0.00 N ATOM 236 CA ASN A 12 -15.371 1.213 13.419 1.00 0.00 C ATOM 237 C ASN A 12 -15.566 -0.213 12.913 1.00 0.00 C ATOM 238 O ASN A 12 -16.354 -0.979 13.469 1.00 0.00 O ATOM 239 CB ASN A 12 -16.545 1.612 14.316 1.00 0.00 C ATOM 240 CG ASN A 12 -17.879 1.501 13.605 1.00 0.00 C ATOM 241 OD1 ASN A 12 -18.092 0.596 12.797 1.00 0.00 O ATOM 242 ND2 ASN A 12 -18.787 2.423 13.903 1.00 0.00 N ATOM 0 H ASN A 12 -16.081 2.233 11.729 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.449 1.251 13.999 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.554 0.977 15.202 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.404 2.637 14.660 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.704 2.399 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.568 3.155 14.579 1.00 0.00 H new ATOM 249 N CYS A 13 -14.841 -0.564 11.855 1.00 0.00 N ATOM 250 CA CYS A 13 -14.933 -1.897 11.273 1.00 0.00 C ATOM 251 C CYS A 13 -13.560 -2.560 11.213 1.00 0.00 C ATOM 252 O CYS A 13 -12.646 -2.062 10.556 1.00 0.00 O ATOM 253 CB CYS A 13 -15.537 -1.823 9.869 1.00 0.00 C ATOM 254 SG CYS A 13 -15.593 -3.422 8.999 1.00 0.00 S ATOM 0 H CYS A 13 -14.183 0.057 11.384 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.581 -2.500 11.909 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.549 -1.425 9.941 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.959 -1.117 9.273 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.791 -3.219 7.730 1.00 0.00 H new ATOM 259 N VAL A 14 -13.423 -3.687 11.905 1.00 0.00 N ATOM 260 CA VAL A 14 -12.162 -4.420 11.930 1.00 0.00 C ATOM 261 C VAL A 14 -12.275 -5.734 11.165 1.00 0.00 C ATOM 262 O VAL A 14 -11.351 -6.134 10.457 1.00 0.00 O ATOM 263 CB VAL A 14 -11.714 -4.716 13.373 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.490 -3.421 14.139 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.737 -5.593 14.080 1.00 0.00 C ATOM 0 H VAL A 14 -14.169 -4.112 12.455 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.417 -3.786 11.449 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.769 -5.257 13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.174 -3.650 15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.717 -2.834 13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.418 -2.850 14.167 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.404 -5.792 15.099 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.699 -5.081 14.106 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.842 -6.535 13.542 1.00 0.00 H new ATOM 275 N SER A 15 -13.415 -6.402 11.312 1.00 0.00 N ATOM 276 CA SER A 15 -13.648 -7.673 10.637 1.00 0.00 C ATOM 277 C SER A 15 -13.206 -7.604 9.179 1.00 0.00 C ATOM 278 O SER A 15 -13.636 -6.726 8.429 1.00 0.00 O ATOM 279 CB SER A 15 -15.128 -8.052 10.716 1.00 0.00 C ATOM 280 OG SER A 15 -15.567 -8.120 12.061 1.00 0.00 O ATOM 0 H SER A 15 -14.191 -6.084 11.892 1.00 0.00 H new ATOM 0 HA SER A 15 -13.057 -8.437 11.141 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.724 -7.318 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.286 -9.015 10.230 1.00 0.00 H new ATOM 0 HG SER A 15 -16.516 -8.362 12.083 1.00 0.00 H new ATOM 286 N ARG A 16 -12.344 -8.535 8.783 1.00 0.00 N ATOM 287 CA ARG A 16 -11.841 -8.579 7.415 1.00 0.00 C ATOM 288 C ARG A 16 -12.923 -9.064 6.454 1.00 0.00 C ATOM 289 O ARG A 16 -13.179 -8.438 5.426 1.00 0.00 O ATOM 290 CB ARG A 16 -10.619 -9.495 7.328 1.00 0.00 C ATOM 291 CG ARG A 16 -9.307 -8.790 7.631 1.00 0.00 C ATOM 292 CD ARG A 16 -8.129 -9.748 7.551 1.00 0.00 C ATOM 293 NE ARG A 16 -8.038 -10.603 8.731 1.00 0.00 N ATOM 294 CZ ARG A 16 -7.495 -10.215 9.880 1.00 0.00 C ATOM 295 NH1 ARG A 16 -6.999 -8.992 10.003 1.00 0.00 N ATOM 296 NH2 ARG A 16 -7.449 -11.052 10.909 1.00 0.00 N ATOM 0 H ARG A 16 -11.979 -9.269 9.390 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.550 -7.568 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.746 -10.323 8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.568 -9.925 6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.161 -7.972 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.351 -8.348 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.226 -10.369 6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.206 -9.179 7.444 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.412 -11.550 8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.034 -8.346 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.583 -8.697 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.831 -11.994 10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.032 -10.754 11.791 1.00 0.00 H new ATOM 310 N ARG A 17 -13.554 -10.182 6.797 1.00 0.00 N ATOM 311 CA ARG A 17 -14.606 -10.751 5.964 1.00 0.00 C ATOM 312 C ARG A 17 -15.935 -10.040 6.205 1.00 0.00 C ATOM 313 O ARG A 17 -16.986 -10.675 6.284 1.00 0.00 O ATOM 314 CB ARG A 17 -14.758 -12.247 6.248 1.00 0.00 C ATOM 315 CG ARG A 17 -13.703 -13.106 5.570 1.00 0.00 C ATOM 316 CD ARG A 17 -13.930 -13.183 4.068 1.00 0.00 C ATOM 317 NE ARG A 17 -14.938 -14.180 3.717 1.00 0.00 N ATOM 318 CZ ARG A 17 -14.686 -15.481 3.632 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.466 -15.941 3.871 1.00 0.00 N ATOM 320 NH2 ARG A 17 -15.656 -16.326 3.307 1.00 0.00 N ATOM 0 H ARG A 17 -13.355 -10.711 7.646 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.323 -10.613 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.710 -12.410 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.745 -12.572 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.714 -12.694 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.722 -14.110 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.242 -12.206 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.991 -13.427 3.571 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.887 -13.859 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.717 -15.295 4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.276 -16.941 3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.596 -15.976 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.461 -17.325 3.242 1.00 0.00 H new ATOM 334 N CYS A 18 -15.879 -8.717 6.320 1.00 0.00 N ATOM 335 CA CYS A 18 -17.076 -7.918 6.552 1.00 0.00 C ATOM 336 C CYS A 18 -17.949 -7.871 5.302 1.00 0.00 C ATOM 337 O CYS A 18 -17.483 -7.516 4.220 1.00 0.00 O ATOM 338 CB CYS A 18 -16.693 -6.498 6.975 1.00 0.00 C ATOM 339 SG CYS A 18 -17.916 -5.230 6.513 1.00 0.00 S ATOM 0 H CYS A 18 -15.017 -8.176 6.256 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.646 -8.387 7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.554 -6.477 8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.733 -6.243 6.526 1.00 0.00 H new ATOM 0 HG CYS A 18 -17.303 -4.119 6.229 1.00 0.00 H new ATOM 344 N MET A 19 -19.219 -8.231 5.460 1.00 0.00 N ATOM 345 CA MET A 19 -20.158 -8.228 4.344 1.00 0.00 C ATOM 346 C MET A 19 -21.388 -7.387 4.671 1.00 0.00 C ATOM 347 O MET A 19 -22.514 -7.887 4.669 1.00 0.00 O ATOM 348 CB MET A 19 -20.579 -9.658 4.001 1.00 0.00 C ATOM 349 CG MET A 19 -19.481 -10.472 3.337 1.00 0.00 C ATOM 350 SD MET A 19 -19.229 -10.021 1.609 1.00 0.00 S ATOM 351 CE MET A 19 -19.461 -11.605 0.808 1.00 0.00 C ATOM 0 H MET A 19 -19.621 -8.528 6.349 1.00 0.00 H new ATOM 0 HA MET A 19 -19.658 -7.788 3.481 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.894 -10.164 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.445 -9.624 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 19 -18.549 -10.332 3.884 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.731 -11.531 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.336 -11.490 -0.269 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.724 -12.315 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 19 -20.464 -11.976 1.019 1.00 0.00 H new ATOM 361 N THR A 20 -21.167 -6.107 4.952 1.00 0.00 N ATOM 362 CA THR A 20 -22.257 -5.198 5.283 1.00 0.00 C ATOM 363 C THR A 20 -22.636 -4.335 4.084 1.00 0.00 C ATOM 364 O THR A 20 -21.770 -3.870 3.343 1.00 0.00 O ATOM 365 CB THR A 20 -21.885 -4.281 6.463 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.777 -5.050 7.666 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.926 -3.187 6.647 1.00 0.00 C ATOM 0 H THR A 20 -20.242 -5.676 4.957 1.00 0.00 H new ATOM 0 HA THR A 20 -23.109 -5.816 5.567 1.00 0.00 H new ATOM 0 HB THR A 20 -20.925 -3.814 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.539 -4.460 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.642 -2.552 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.986 -2.585 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.898 -3.639 6.847 1.00 0.00 H new ATOM 375 N ARG A 21 -23.936 -4.125 3.900 1.00 0.00 N ATOM 376 CA ARG A 21 -24.429 -3.319 2.790 1.00 0.00 C ATOM 377 C ARG A 21 -23.724 -1.966 2.746 1.00 0.00 C ATOM 378 O ARG A 21 -23.845 -1.145 3.655 1.00 0.00 O ATOM 379 CB ARG A 21 -25.940 -3.115 2.913 1.00 0.00 C ATOM 380 CG ARG A 21 -26.516 -2.182 1.860 1.00 0.00 C ATOM 381 CD ARG A 21 -27.194 -2.956 0.741 1.00 0.00 C ATOM 382 NE ARG A 21 -26.291 -3.919 0.116 1.00 0.00 N ATOM 383 CZ ARG A 21 -26.503 -4.456 -1.080 1.00 0.00 C ATOM 384 NH1 ARG A 21 -27.581 -4.126 -1.778 1.00 0.00 N ATOM 385 NH2 ARG A 21 -25.634 -5.325 -1.582 1.00 0.00 N ATOM 0 H ARG A 21 -24.666 -4.502 4.505 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.215 -3.851 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.436 -4.083 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.165 -2.716 3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -27.235 -1.507 2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.720 -1.564 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.064 -3.479 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -27.558 -2.258 -0.013 1.00 0.00 H new ATOM 0 HE ARG A 21 -25.452 -4.194 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.251 -3.458 -1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -27.741 -4.540 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -24.803 -5.581 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -25.798 -5.737 -2.501 1.00 0.00 H new ATOM 399 N PRO A 22 -22.969 -1.728 1.663 1.00 0.00 N ATOM 400 CA PRO A 22 -22.230 -0.476 1.474 1.00 0.00 C ATOM 401 C PRO A 22 -23.153 0.709 1.211 1.00 0.00 C ATOM 402 O PRO A 22 -23.728 0.832 0.130 1.00 0.00 O ATOM 403 CB PRO A 22 -21.361 -0.759 0.245 1.00 0.00 C ATOM 404 CG PRO A 22 -22.095 -1.819 -0.501 1.00 0.00 C ATOM 405 CD PRO A 22 -22.779 -2.661 0.540 1.00 0.00 C ATOM 0 HA PRO A 22 -21.661 -0.201 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.232 0.136 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.365 -1.095 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.820 -1.382 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.411 -2.419 -1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.729 -3.053 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.169 -3.518 0.828 1.00 0.00 H new ATOM 413 N GLU A 23 -23.291 1.578 2.208 1.00 0.00 N ATOM 414 CA GLU A 23 -24.146 2.753 2.083 1.00 0.00 C ATOM 415 C GLU A 23 -23.336 3.971 1.648 1.00 0.00 C ATOM 416 O GLU A 23 -22.109 3.999 1.743 1.00 0.00 O ATOM 417 CB GLU A 23 -24.849 3.042 3.411 1.00 0.00 C ATOM 418 CG GLU A 23 -26.214 2.384 3.533 1.00 0.00 C ATOM 419 CD GLU A 23 -27.039 2.513 2.267 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.934 1.622 1.398 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.789 3.504 2.145 1.00 0.00 O ATOM 0 H GLU A 23 -22.822 1.491 3.110 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.896 2.546 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -24.216 2.700 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.963 4.120 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.084 1.328 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.757 2.834 4.364 1.00 0.00 H new ATOM 428 N PRO A 24 -24.039 5.003 1.158 1.00 0.00 N ATOM 429 CA PRO A 24 -23.407 6.243 0.698 1.00 0.00 C ATOM 430 C PRO A 24 -22.825 7.058 1.847 1.00 0.00 C ATOM 431 O PRO A 24 -22.390 8.194 1.659 1.00 0.00 O ATOM 432 CB PRO A 24 -24.558 7.003 0.033 1.00 0.00 C ATOM 433 CG PRO A 24 -25.787 6.481 0.693 1.00 0.00 C ATOM 434 CD PRO A 24 -25.504 5.040 1.015 1.00 0.00 C ATOM 0 HA PRO A 24 -22.566 6.049 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.458 8.079 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.580 6.826 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -26.014 7.046 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.652 6.571 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -26.005 4.727 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.847 4.376 0.221 1.00 0.00 H new ATOM 442 N GLY A 25 -22.818 6.471 3.040 1.00 0.00 N ATOM 443 CA GLY A 25 -22.286 7.157 4.203 1.00 0.00 C ATOM 444 C GLY A 25 -21.891 6.201 5.310 1.00 0.00 C ATOM 445 O GLY A 25 -20.734 6.174 5.732 1.00 0.00 O ATOM 0 H GLY A 25 -23.172 5.532 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.417 7.745 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.031 7.857 4.581 1.00 0.00 H new ATOM 449 N ILE A 26 -22.852 5.415 5.783 1.00 0.00 N ATOM 450 CA ILE A 26 -22.598 4.454 6.849 1.00 0.00 C ATOM 451 C ILE A 26 -21.356 3.620 6.551 1.00 0.00 C ATOM 452 O ILE A 26 -20.324 3.770 7.204 1.00 0.00 O ATOM 453 CB ILE A 26 -23.798 3.512 7.056 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.953 4.261 7.724 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.389 2.307 7.889 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.465 5.430 6.912 1.00 0.00 C ATOM 0 H ILE A 26 -23.814 5.425 5.445 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.437 5.029 7.761 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.135 3.158 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.773 3.565 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.626 4.622 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.249 1.651 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.595 1.763 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.030 2.642 8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.283 5.914 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.658 6.147 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.823 5.073 5.946 1.00 0.00 H new ATOM 468 N SER A 27 -21.465 2.740 5.560 1.00 0.00 N ATOM 469 CA SER A 27 -20.351 1.880 5.177 1.00 0.00 C ATOM 470 C SER A 27 -20.186 1.850 3.660 1.00 0.00 C ATOM 471 O SER A 27 -21.076 2.265 2.918 1.00 0.00 O ATOM 472 CB SER A 27 -20.570 0.461 5.705 1.00 0.00 C ATOM 473 OG SER A 27 -21.478 -0.254 4.885 1.00 0.00 O ATOM 0 H SER A 27 -22.312 2.604 5.009 1.00 0.00 H new ATOM 0 HA SER A 27 -19.441 2.287 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.617 -0.067 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.952 0.504 6.725 1.00 0.00 H new ATOM 0 HG SER A 27 -22.395 0.018 5.098 1.00 0.00 H new ATOM 479 N CYS A 28 -19.039 1.355 3.207 1.00 0.00 N ATOM 480 CA CYS A 28 -18.753 1.270 1.780 1.00 0.00 C ATOM 481 C CYS A 28 -18.271 -0.128 1.404 1.00 0.00 C ATOM 482 O CYS A 28 -18.059 -0.977 2.270 1.00 0.00 O ATOM 483 CB CYS A 28 -17.700 2.308 1.386 1.00 0.00 C ATOM 484 SG CYS A 28 -16.003 1.871 1.885 1.00 0.00 S ATOM 0 H CYS A 28 -18.292 1.007 3.808 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.676 1.475 1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.726 2.444 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.964 3.266 1.834 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.925 1.848 3.182 1.00 0.00 H new ATOM 489 N ASP A 29 -18.100 -0.360 0.107 1.00 0.00 N ATOM 490 CA ASP A 29 -17.641 -1.654 -0.384 1.00 0.00 C ATOM 491 C ASP A 29 -16.256 -1.983 0.162 1.00 0.00 C ATOM 492 O ASP A 29 -15.546 -1.105 0.655 1.00 0.00 O ATOM 493 CB ASP A 29 -17.615 -1.663 -1.914 1.00 0.00 C ATOM 494 CG ASP A 29 -18.797 -0.930 -2.517 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.703 0.303 -2.694 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.815 -1.589 -2.814 1.00 0.00 O ATOM 0 H ASP A 29 -18.272 0.331 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.339 -2.415 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.690 -1.203 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.611 -2.694 -2.268 1.00 0.00 H new ATOM 501 N LEU A 30 -15.876 -3.253 0.073 1.00 0.00 N ATOM 502 CA LEU A 30 -14.575 -3.699 0.559 1.00 0.00 C ATOM 503 C LEU A 30 -13.682 -4.137 -0.597 1.00 0.00 C ATOM 504 O LEU A 30 -14.156 -4.720 -1.573 1.00 0.00 O ATOM 505 CB LEU A 30 -14.747 -4.851 1.551 1.00 0.00 C ATOM 506 CG LEU A 30 -14.911 -4.454 3.018 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.603 -5.562 3.797 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.559 -4.129 3.637 1.00 0.00 C ATOM 0 H LEU A 30 -16.451 -3.992 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.097 -2.860 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.619 -5.433 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.881 -5.508 1.468 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.534 -3.561 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.711 -5.261 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.588 -5.747 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.007 -6.473 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.695 -3.848 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.912 -5.004 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.101 -3.301 3.096 1.00 0.00 H new ATOM 520 N ILE A 31 -12.389 -3.855 -0.480 1.00 0.00 N ATOM 521 CA ILE A 31 -11.430 -4.223 -1.514 1.00 0.00 C ATOM 522 C ILE A 31 -10.162 -4.810 -0.903 1.00 0.00 C ATOM 523 O ILE A 31 -9.749 -4.422 0.189 1.00 0.00 O ATOM 524 CB ILE A 31 -11.053 -3.013 -2.388 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.462 -1.896 -1.524 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.269 -2.511 -3.152 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.962 -1.995 -1.353 1.00 0.00 C ATOM 0 H ILE A 31 -11.981 -3.373 0.321 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.912 -4.975 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.299 -3.327 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.706 -0.933 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.934 -1.919 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.986 -1.655 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.650 -3.306 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.044 -2.211 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.612 -1.172 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.712 -2.943 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.480 -1.942 -2.329 1.00 0.00 H new ATOM 539 N GLY A 32 -9.547 -5.748 -1.618 1.00 0.00 N ATOM 540 CA GLY A 32 -8.331 -6.373 -1.132 1.00 0.00 C ATOM 541 C GLY A 32 -7.099 -5.532 -1.403 1.00 0.00 C ATOM 542 O GLY A 32 -7.001 -4.878 -2.442 1.00 0.00 O ATOM 0 H GLY A 32 -9.870 -6.086 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.419 -6.548 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.213 -7.348 -1.605 1.00 0.00 H new ATOM 546 N CYS A 33 -6.155 -5.548 -0.468 1.00 0.00 N ATOM 547 CA CYS A 33 -4.924 -4.781 -0.610 1.00 0.00 C ATOM 548 C CYS A 33 -4.295 -5.011 -1.981 1.00 0.00 C ATOM 549 O CYS A 33 -4.175 -6.141 -2.455 1.00 0.00 O ATOM 550 CB CYS A 33 -3.931 -5.163 0.490 1.00 0.00 C ATOM 551 SG CYS A 33 -2.559 -3.982 0.695 1.00 0.00 S ATOM 0 H CYS A 33 -6.220 -6.085 0.397 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.171 -3.724 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.467 -5.248 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.519 -6.147 0.267 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.677 -3.373 1.838 1.00 0.00 H new ATOM 556 N PRO A 34 -3.882 -3.914 -2.633 1.00 0.00 N ATOM 557 CA PRO A 34 -3.257 -3.969 -3.958 1.00 0.00 C ATOM 558 C PRO A 34 -1.864 -4.588 -3.917 1.00 0.00 C ATOM 559 O PRO A 34 -1.223 -4.769 -4.953 1.00 0.00 O ATOM 560 CB PRO A 34 -3.177 -2.499 -4.374 1.00 0.00 C ATOM 561 CG PRO A 34 -3.153 -1.743 -3.091 1.00 0.00 C ATOM 562 CD PRO A 34 -3.993 -2.535 -2.128 1.00 0.00 C ATOM 0 HA PRO A 34 -3.824 -4.592 -4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.283 -2.303 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.033 -2.214 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.133 -1.634 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.553 -0.738 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.622 -2.450 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.028 -2.192 -2.121 1.00 0.00 H new ATOM 570 N LEU A 35 -1.401 -4.912 -2.715 1.00 0.00 N ATOM 571 CA LEU A 35 -0.083 -5.512 -2.538 1.00 0.00 C ATOM 572 C LEU A 35 -0.201 -6.939 -2.013 1.00 0.00 C ATOM 573 O LEU A 35 0.767 -7.507 -1.505 1.00 0.00 O ATOM 574 CB LEU A 35 0.757 -4.670 -1.577 1.00 0.00 C ATOM 575 CG LEU A 35 1.096 -3.255 -2.045 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.001 -2.562 -1.038 1.00 0.00 C ATOM 577 CD2 LEU A 35 1.751 -3.289 -3.418 1.00 0.00 C ATOM 0 H LEU A 35 -1.919 -4.769 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 35 0.410 -5.542 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.226 -4.600 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.689 -5.200 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 35 0.169 -2.687 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.232 -1.556 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.495 -2.504 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.925 -3.129 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.985 -2.273 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.669 -3.874 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.068 -3.744 -4.136 1.00 0.00 H new ATOM 589 N VAL A 36 -1.391 -7.516 -2.142 1.00 0.00 N ATOM 590 CA VAL A 36 -1.635 -8.878 -1.684 1.00 0.00 C ATOM 591 C VAL A 36 -1.018 -9.114 -0.309 1.00 0.00 C ATOM 592 O VAL A 36 -0.526 -10.204 -0.016 1.00 0.00 O ATOM 593 CB VAL A 36 -1.067 -9.913 -2.673 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.634 -9.688 -4.066 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.453 -9.854 -2.692 1.00 0.00 C ATOM 0 H VAL A 36 -2.202 -7.061 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.716 -9.002 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.365 -10.908 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.221 -10.429 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.719 -9.785 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.369 -8.688 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.837 -10.592 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.775 -8.859 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.838 -10.069 -1.695 1.00 0.00 H new ATOM 605 N CYS A 37 -1.049 -8.085 0.531 1.00 0.00 N ATOM 606 CA CYS A 37 -0.494 -8.179 1.876 1.00 0.00 C ATOM 607 C CYS A 37 -1.283 -9.174 2.722 1.00 0.00 C ATOM 608 O CYS A 37 -0.786 -9.682 3.726 1.00 0.00 O ATOM 609 CB CYS A 37 -0.497 -6.805 2.549 1.00 0.00 C ATOM 610 SG CYS A 37 -2.058 -6.395 3.394 1.00 0.00 S ATOM 0 H CYS A 37 -1.453 -7.176 0.304 1.00 0.00 H new ATOM 0 HA CYS A 37 0.533 -8.534 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.317 -6.765 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.292 -6.043 1.797 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.637 -5.406 2.780 1.00 0.00 H new ATOM 615 N GLY A 38 -2.517 -9.447 2.308 1.00 0.00 N ATOM 616 CA GLY A 38 -3.355 -10.380 3.039 1.00 0.00 C ATOM 617 C GLY A 38 -4.220 -9.692 4.076 1.00 0.00 C ATOM 618 O GLY A 38 -4.303 -10.139 5.219 1.00 0.00 O ATOM 0 H GLY A 38 -2.951 -9.039 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.993 -10.918 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.725 -11.122 3.530 1.00 0.00 H new ATOM 622 N ALA A 39 -4.864 -8.600 3.677 1.00 0.00 N ATOM 623 CA ALA A 39 -5.727 -7.849 4.581 1.00 0.00 C ATOM 624 C ALA A 39 -6.865 -7.177 3.821 1.00 0.00 C ATOM 625 O ALA A 39 -6.633 -6.367 2.924 1.00 0.00 O ATOM 626 CB ALA A 39 -4.916 -6.813 5.346 1.00 0.00 C ATOM 0 H ALA A 39 -4.805 -8.216 2.734 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.164 -8.550 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.573 -6.260 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.142 -7.314 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.451 -6.122 4.642 1.00 0.00 H new ATOM 632 N VAL A 40 -8.097 -7.519 4.185 1.00 0.00 N ATOM 633 CA VAL A 40 -9.272 -6.949 3.538 1.00 0.00 C ATOM 634 C VAL A 40 -9.786 -5.734 4.303 1.00 0.00 C ATOM 635 O VAL A 40 -10.207 -5.845 5.454 1.00 0.00 O ATOM 636 CB VAL A 40 -10.406 -7.984 3.420 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.639 -7.356 2.788 1.00 0.00 C ATOM 638 CG2 VAL A 40 -9.943 -9.192 2.619 1.00 0.00 C ATOM 0 H VAL A 40 -8.307 -8.189 4.925 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.964 -6.642 2.538 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.673 -8.321 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.430 -8.103 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.981 -6.526 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.391 -6.989 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.757 -9.913 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.648 -8.874 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.092 -9.655 3.118 1.00 0.00 H new ATOM 648 N PHE A 41 -9.748 -4.574 3.655 1.00 0.00 N ATOM 649 CA PHE A 41 -10.209 -3.337 4.274 1.00 0.00 C ATOM 650 C PHE A 41 -11.091 -2.544 3.314 1.00 0.00 C ATOM 651 O PHE A 41 -11.024 -2.726 2.098 1.00 0.00 O ATOM 652 CB PHE A 41 -9.015 -2.485 4.710 1.00 0.00 C ATOM 653 CG PHE A 41 -7.841 -2.576 3.779 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.899 -3.581 3.927 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.679 -1.657 2.755 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.817 -3.669 3.072 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.599 -1.740 1.896 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.666 -2.746 2.055 1.00 0.00 C ATOM 0 H PHE A 41 -9.403 -4.465 2.701 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.801 -3.597 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.330 -1.444 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.702 -2.795 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.012 -4.305 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.404 -0.867 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.090 -4.458 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.485 -1.018 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.821 -2.811 1.386 1.00 0.00 H new ATOM 668 N HIS A 42 -11.918 -1.664 3.870 1.00 0.00 N ATOM 669 CA HIS A 42 -12.814 -0.843 3.064 1.00 0.00 C ATOM 670 C HIS A 42 -12.023 0.082 2.144 1.00 0.00 C ATOM 671 O HIS A 42 -11.124 0.795 2.588 1.00 0.00 O ATOM 672 CB HIS A 42 -13.734 -0.019 3.966 1.00 0.00 C ATOM 673 CG HIS A 42 -14.852 -0.814 4.567 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.056 -1.022 3.928 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.943 -1.454 5.756 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.840 -1.755 4.699 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.188 -2.031 5.814 1.00 0.00 N ATOM 0 H HIS A 42 -11.986 -1.501 4.875 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.420 -1.507 2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.142 0.424 4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.154 0.804 3.388 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.303 -0.666 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.179 -1.502 6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.843 -2.074 4.458 1.00 0.00 H new ATOM 685 N SER A 43 -12.363 0.063 0.859 1.00 0.00 N ATOM 686 CA SER A 43 -11.682 0.896 -0.125 1.00 0.00 C ATOM 687 C SER A 43 -11.244 2.220 0.494 1.00 0.00 C ATOM 688 O SER A 43 -10.118 2.673 0.288 1.00 0.00 O ATOM 689 CB SER A 43 -12.596 1.158 -1.324 1.00 0.00 C ATOM 690 OG SER A 43 -13.541 2.172 -1.032 1.00 0.00 O ATOM 0 H SER A 43 -13.106 -0.520 0.475 1.00 0.00 H new ATOM 0 HA SER A 43 -10.794 0.362 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.996 1.453 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.116 0.240 -1.597 1.00 0.00 H new ATOM 0 HG SER A 43 -14.112 2.322 -1.814 1.00 0.00 H new ATOM 696 N CYS A 44 -12.143 2.836 1.254 1.00 0.00 N ATOM 697 CA CYS A 44 -11.853 4.108 1.904 1.00 0.00 C ATOM 698 C CYS A 44 -10.756 3.946 2.952 1.00 0.00 C ATOM 699 O CYS A 44 -9.804 4.725 2.998 1.00 0.00 O ATOM 700 CB CYS A 44 -13.117 4.673 2.555 1.00 0.00 C ATOM 701 SG CYS A 44 -13.572 3.861 4.121 1.00 0.00 S ATOM 0 H CYS A 44 -13.079 2.474 1.435 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.503 4.805 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.974 5.738 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.947 4.579 1.855 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.843 4.024 4.341 1.00 0.00 H new ATOM 706 N LYS A 45 -10.897 2.927 3.794 1.00 0.00 N ATOM 707 CA LYS A 45 -9.919 2.659 4.842 1.00 0.00 C ATOM 708 C LYS A 45 -8.544 2.376 4.244 1.00 0.00 C ATOM 709 O LYS A 45 -7.519 2.637 4.871 1.00 0.00 O ATOM 710 CB LYS A 45 -10.369 1.472 5.697 1.00 0.00 C ATOM 711 CG LYS A 45 -11.601 1.760 6.536 1.00 0.00 C ATOM 712 CD LYS A 45 -11.290 2.718 7.674 1.00 0.00 C ATOM 713 CE LYS A 45 -10.894 1.972 8.939 1.00 0.00 C ATOM 714 NZ LYS A 45 -9.419 1.799 9.042 1.00 0.00 N ATOM 0 H LYS A 45 -11.680 2.273 3.771 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.846 3.546 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.574 0.623 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.552 1.179 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.381 2.185 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.992 0.827 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.482 3.387 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.162 3.340 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.258 2.516 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.376 0.994 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.193 0.787 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.964 2.186 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.068 2.303 9.881 1.00 0.00 H new ATOM 728 N ALA A 46 -8.532 1.843 3.027 1.00 0.00 N ATOM 729 CA ALA A 46 -7.283 1.528 2.343 1.00 0.00 C ATOM 730 C ALA A 46 -6.287 2.677 2.463 1.00 0.00 C ATOM 731 O ALA A 46 -5.167 2.492 2.940 1.00 0.00 O ATOM 732 CB ALA A 46 -7.549 1.209 0.879 1.00 0.00 C ATOM 0 H ALA A 46 -9.373 1.620 2.494 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.846 0.651 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.608 0.976 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.219 0.352 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.011 2.071 0.397 1.00 0.00 H new ATOM 738 N ASP A 47 -6.702 3.861 2.028 1.00 0.00 N ATOM 739 CA ASP A 47 -5.846 5.040 2.087 1.00 0.00 C ATOM 740 C ASP A 47 -5.148 5.137 3.440 1.00 0.00 C ATOM 741 O ASP A 47 -4.046 5.675 3.543 1.00 0.00 O ATOM 742 CB ASP A 47 -6.666 6.306 1.831 1.00 0.00 C ATOM 743 CG ASP A 47 -7.040 6.467 0.370 1.00 0.00 C ATOM 744 OD1 ASP A 47 -6.121 6.540 -0.472 1.00 0.00 O ATOM 745 OD2 ASP A 47 -8.251 6.522 0.070 1.00 0.00 O ATOM 0 H ASP A 47 -7.626 4.030 1.631 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.086 4.946 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.573 6.276 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.096 7.177 2.155 1.00 0.00 H new ATOM 750 N GLU A 48 -5.798 4.614 4.475 1.00 0.00 N ATOM 751 CA GLU A 48 -5.239 4.644 5.821 1.00 0.00 C ATOM 752 C GLU A 48 -4.475 3.357 6.122 1.00 0.00 C ATOM 753 O GLU A 48 -3.463 3.373 6.823 1.00 0.00 O ATOM 754 CB GLU A 48 -6.350 4.844 6.854 1.00 0.00 C ATOM 755 CG GLU A 48 -7.143 6.125 6.655 1.00 0.00 C ATOM 756 CD GLU A 48 -7.820 6.187 5.300 1.00 0.00 C ATOM 757 OE1 GLU A 48 -8.689 5.331 5.032 1.00 0.00 O ATOM 758 OE2 GLU A 48 -7.482 7.091 4.508 1.00 0.00 O ATOM 0 H GLU A 48 -6.711 4.165 4.407 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.543 5.481 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.032 3.994 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.910 4.850 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.897 6.206 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.477 6.981 6.764 1.00 0.00 H new ATOM 765 N HIS A 49 -4.968 2.245 5.588 1.00 0.00 N ATOM 766 CA HIS A 49 -4.333 0.949 5.798 1.00 0.00 C ATOM 767 C HIS A 49 -2.994 0.875 5.070 1.00 0.00 C ATOM 768 O HIS A 49 -2.165 0.013 5.361 1.00 0.00 O ATOM 769 CB HIS A 49 -5.250 -0.177 5.319 1.00 0.00 C ATOM 770 CG HIS A 49 -4.521 -1.437 4.971 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.499 -2.545 5.792 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.785 -1.763 3.883 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.780 -3.497 5.224 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.336 -3.048 4.064 1.00 0.00 N ATOM 0 H HIS A 49 -5.805 2.215 5.006 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.153 0.830 6.866 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.982 -0.394 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.805 0.165 4.445 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.965 -2.618 6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.587 -1.130 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.588 -4.476 5.638 1.00 0.00 H new ATOM 782 N ARG A 50 -2.792 1.783 4.120 1.00 0.00 N ATOM 783 CA ARG A 50 -1.556 1.819 3.349 1.00 0.00 C ATOM 784 C ARG A 50 -0.430 2.459 4.156 1.00 0.00 C ATOM 785 O ARG A 50 0.730 2.446 3.742 1.00 0.00 O ATOM 786 CB ARG A 50 -1.765 2.591 2.045 1.00 0.00 C ATOM 787 CG ARG A 50 -1.536 4.088 2.180 1.00 0.00 C ATOM 788 CD ARG A 50 -1.462 4.765 0.820 1.00 0.00 C ATOM 789 NE ARG A 50 -0.115 4.715 0.258 1.00 0.00 N ATOM 790 CZ ARG A 50 0.206 5.225 -0.926 1.00 0.00 C ATOM 791 NH1 ARG A 50 -0.718 5.820 -1.668 1.00 0.00 N ATOM 792 NH2 ARG A 50 1.454 5.141 -1.370 1.00 0.00 N ATOM 0 H ARG A 50 -3.469 2.503 3.866 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.274 0.793 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.090 2.196 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.781 2.418 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.344 4.530 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.611 4.268 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.159 4.281 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.777 5.804 0.914 1.00 0.00 H new ATOM 0 HE ARG A 50 0.619 4.264 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.678 5.887 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.469 6.211 -2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.168 4.685 -0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.699 5.533 -2.279 1.00 0.00 H new ATOM 806 N LEU A 51 -0.779 3.017 5.309 1.00 0.00 N ATOM 807 CA LEU A 51 0.201 3.663 6.175 1.00 0.00 C ATOM 808 C LEU A 51 0.870 2.645 7.094 1.00 0.00 C ATOM 809 O LEU A 51 2.032 2.803 7.472 1.00 0.00 O ATOM 810 CB LEU A 51 -0.467 4.758 7.009 1.00 0.00 C ATOM 811 CG LEU A 51 -0.948 5.988 6.238 1.00 0.00 C ATOM 812 CD1 LEU A 51 0.235 6.761 5.675 1.00 0.00 C ATOM 813 CD2 LEU A 51 -1.900 5.580 5.124 1.00 0.00 C ATOM 0 H LEU A 51 -1.734 3.035 5.667 1.00 0.00 H new ATOM 0 HA LEU A 51 0.966 4.113 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.321 4.322 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.237 5.085 7.774 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.486 6.639 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.126 7.633 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.880 7.086 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.801 6.119 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.232 6.468 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.387 4.909 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.764 5.071 5.552 1.00 0.00 H new ATOM 825 N LEU A 52 0.130 1.600 7.449 1.00 0.00 N ATOM 826 CA LEU A 52 0.652 0.555 8.322 1.00 0.00 C ATOM 827 C LEU A 52 1.040 -0.682 7.518 1.00 0.00 C ATOM 828 O LEU A 52 2.016 -1.362 7.837 1.00 0.00 O ATOM 829 CB LEU A 52 -0.387 0.182 9.382 1.00 0.00 C ATOM 830 CG LEU A 52 -1.086 1.352 10.076 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.332 1.762 9.306 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.439 0.987 11.510 1.00 0.00 C ATOM 0 H LEU A 52 -0.833 1.454 7.146 1.00 0.00 H new ATOM 0 HA LEU A 52 1.544 0.940 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.147 -0.443 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.102 -0.427 10.143 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.401 2.200 10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.816 2.596 9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.053 2.065 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.021 0.919 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.936 1.831 11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.106 0.125 11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.529 0.743 12.058 1.00 0.00 H new ATOM 844 N CYS A 53 0.272 -0.968 6.473 1.00 0.00 N ATOM 845 CA CYS A 53 0.535 -2.121 5.621 1.00 0.00 C ATOM 846 C CYS A 53 2.034 -2.385 5.512 1.00 0.00 C ATOM 847 O CYS A 53 2.832 -1.483 5.258 1.00 0.00 O ATOM 848 CB CYS A 53 -0.057 -1.899 4.228 1.00 0.00 C ATOM 849 SG CYS A 53 0.198 -3.292 3.081 1.00 0.00 S ATOM 0 H CYS A 53 -0.539 -0.416 6.195 1.00 0.00 H new ATOM 0 HA CYS A 53 0.062 -2.992 6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.127 -1.713 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.385 -1.001 3.796 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.772 -3.325 2.216 1.00 0.00 H new ATOM 854 N PRO A 54 2.428 -3.653 5.708 1.00 0.00 N ATOM 855 CA PRO A 54 3.832 -4.066 5.636 1.00 0.00 C ATOM 856 C PRO A 54 4.380 -4.013 4.214 1.00 0.00 C ATOM 857 O PRO A 54 5.434 -3.427 3.966 1.00 0.00 O ATOM 858 CB PRO A 54 3.804 -5.509 6.145 1.00 0.00 C ATOM 859 CG PRO A 54 2.420 -5.983 5.863 1.00 0.00 C ATOM 860 CD PRO A 54 1.531 -4.780 6.015 1.00 0.00 C ATOM 0 HA PRO A 54 4.480 -3.408 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.545 -6.124 5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.030 -5.558 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.347 -6.398 4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.129 -6.773 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.684 -4.817 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.123 -4.706 7.023 1.00 0.00 H new ATOM 868 N PHE A 55 3.658 -4.627 3.284 1.00 0.00 N ATOM 869 CA PHE A 55 4.072 -4.651 1.886 1.00 0.00 C ATOM 870 C PHE A 55 4.456 -3.253 1.409 1.00 0.00 C ATOM 871 O PHE A 55 5.424 -3.084 0.669 1.00 0.00 O ATOM 872 CB PHE A 55 2.950 -5.210 1.008 1.00 0.00 C ATOM 873 CG PHE A 55 3.017 -6.700 0.827 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.944 -7.548 1.920 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.153 -7.251 -0.437 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.006 -8.919 1.756 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.215 -8.622 -0.607 1.00 0.00 C ATOM 878 CZ PHE A 55 3.141 -9.456 0.490 1.00 0.00 C ATOM 0 H PHE A 55 2.783 -5.115 3.473 1.00 0.00 H new ATOM 0 HA PHE A 55 4.945 -5.298 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.989 -4.948 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.992 -4.731 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.837 -7.133 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.211 -6.603 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.949 -9.570 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.321 -9.040 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.189 -10.527 0.359 1.00 0.00 H new ATOM 888 N GLU A 56 3.690 -2.256 1.840 1.00 0.00 N ATOM 889 CA GLU A 56 3.950 -0.873 1.456 1.00 0.00 C ATOM 890 C GLU A 56 5.449 -0.590 1.423 1.00 0.00 C ATOM 891 O GLU A 56 6.194 -1.032 2.298 1.00 0.00 O ATOM 892 CB GLU A 56 3.259 0.087 2.426 1.00 0.00 C ATOM 893 CG GLU A 56 3.125 1.502 1.890 1.00 0.00 C ATOM 894 CD GLU A 56 4.467 2.167 1.656 1.00 0.00 C ATOM 895 OE1 GLU A 56 5.162 2.468 2.649 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.823 2.387 0.479 1.00 0.00 O ATOM 0 H GLU A 56 2.885 -2.380 2.454 1.00 0.00 H new ATOM 0 HA GLU A 56 3.547 -0.719 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.267 -0.299 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.820 0.113 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.566 1.481 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.545 2.100 2.594 1.00 0.00 H new ATOM 903 N ARG A 57 5.883 0.150 0.408 1.00 0.00 N ATOM 904 CA ARG A 57 7.293 0.491 0.260 1.00 0.00 C ATOM 905 C ARG A 57 7.740 1.446 1.363 1.00 0.00 C ATOM 906 O ARG A 57 7.316 2.601 1.409 1.00 0.00 O ATOM 907 CB ARG A 57 7.545 1.123 -1.110 1.00 0.00 C ATOM 908 CG ARG A 57 8.953 1.671 -1.278 1.00 0.00 C ATOM 909 CD ARG A 57 9.285 1.913 -2.742 1.00 0.00 C ATOM 910 NE ARG A 57 9.606 0.673 -3.443 1.00 0.00 N ATOM 911 CZ ARG A 57 8.710 -0.048 -4.108 1.00 0.00 C ATOM 912 NH1 ARG A 57 7.445 0.345 -4.161 1.00 0.00 N ATOM 913 NH2 ARG A 57 9.078 -1.166 -4.721 1.00 0.00 N ATOM 0 H ARG A 57 5.279 0.525 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 57 7.874 -0.428 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.359 0.378 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.829 1.930 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.050 2.604 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.671 0.970 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.439 2.397 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.129 2.599 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 57 10.571 0.342 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.157 1.203 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.759 -0.211 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.050 -1.473 -4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.389 -1.718 -5.231 1.00 0.00 H new ATOM 927 N VAL A 58 8.600 0.956 2.251 1.00 0.00 N ATOM 928 CA VAL A 58 9.105 1.765 3.353 1.00 0.00 C ATOM 929 C VAL A 58 10.626 1.865 3.309 1.00 0.00 C ATOM 930 O VAL A 58 11.322 0.937 2.897 1.00 0.00 O ATOM 931 CB VAL A 58 8.679 1.187 4.715 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.173 0.976 4.758 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.416 -0.114 4.996 1.00 0.00 C ATOM 0 H VAL A 58 8.961 0.002 2.228 1.00 0.00 H new ATOM 0 HA VAL A 58 8.675 2.760 3.238 1.00 0.00 H new ATOM 0 HB VAL A 58 8.944 1.903 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.890 0.567 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.667 1.930 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.881 0.280 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.103 -0.508 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.184 -0.839 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.490 0.072 5.011 1.00 0.00 H new ATOM 943 N PRO A 59 11.156 3.017 3.746 1.00 0.00 N ATOM 944 CA PRO A 59 12.600 3.266 3.768 1.00 0.00 C ATOM 945 C PRO A 59 13.318 2.424 4.818 1.00 0.00 C ATOM 946 O PRO A 59 12.771 2.148 5.886 1.00 0.00 O ATOM 947 CB PRO A 59 12.699 4.753 4.115 1.00 0.00 C ATOM 948 CG PRO A 59 11.440 5.054 4.853 1.00 0.00 C ATOM 949 CD PRO A 59 10.386 4.166 4.252 1.00 0.00 C ATOM 0 HA PRO A 59 13.073 3.003 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.576 4.959 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.787 5.364 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.556 4.856 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.170 6.105 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.648 3.860 4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.844 4.670 3.452 1.00 0.00 H new ATOM 957 N CYS A 60 14.545 2.020 4.508 1.00 0.00 N ATOM 958 CA CYS A 60 15.338 1.210 5.425 1.00 0.00 C ATOM 959 C CYS A 60 15.149 1.677 6.866 1.00 0.00 C ATOM 960 O CYS A 60 15.144 2.876 7.146 1.00 0.00 O ATOM 961 CB CYS A 60 16.819 1.276 5.047 1.00 0.00 C ATOM 962 SG CYS A 60 17.859 0.045 5.895 1.00 0.00 S ATOM 0 H CYS A 60 15.012 2.240 3.628 1.00 0.00 H new ATOM 0 HA CYS A 60 14.995 0.178 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.915 1.136 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.197 2.273 5.274 1.00 0.00 H new ATOM 0 HG CYS A 60 18.964 0.607 6.288 1.00 0.00 H new ATOM 967 N LEU A 61 14.993 0.721 7.775 1.00 0.00 N ATOM 968 CA LEU A 61 14.804 1.033 9.188 1.00 0.00 C ATOM 969 C LEU A 61 15.853 2.030 9.671 1.00 0.00 C ATOM 970 O LEU A 61 15.575 2.874 10.522 1.00 0.00 O ATOM 971 CB LEU A 61 14.875 -0.245 10.026 1.00 0.00 C ATOM 972 CG LEU A 61 13.626 -1.128 10.010 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.938 -2.503 10.579 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.497 -0.470 10.789 1.00 0.00 C ATOM 0 H LEU A 61 14.994 -0.276 7.559 1.00 0.00 H new ATOM 0 HA LEU A 61 13.819 1.484 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.720 -0.839 9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.086 0.033 11.059 1.00 0.00 H new ATOM 0 HG LEU A 61 13.304 -1.250 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.038 -3.118 10.560 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.714 -2.978 9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.286 -2.401 11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.617 -1.113 10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.809 -0.317 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.255 0.492 10.337 1.00 0.00 H new ATOM 986 N ASN A 62 17.057 1.928 9.119 1.00 0.00 N ATOM 987 CA ASN A 62 18.147 2.822 9.493 1.00 0.00 C ATOM 988 C ASN A 62 18.228 4.009 8.538 1.00 0.00 C ATOM 989 O ASN A 62 19.312 4.521 8.257 1.00 0.00 O ATOM 990 CB ASN A 62 19.477 2.065 9.496 1.00 0.00 C ATOM 991 CG ASN A 62 19.377 0.723 10.196 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.508 0.636 11.417 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.143 -0.331 9.422 1.00 0.00 N ATOM 0 H ASN A 62 17.303 1.236 8.411 1.00 0.00 H new ATOM 0 HA ASN A 62 17.948 3.198 10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.807 1.912 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 62 20.237 2.673 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.065 -1.260 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.041 -0.211 8.414 1.00 0.00 H new ATOM 1000 N SER A 63 17.073 4.443 8.043 1.00 0.00 N ATOM 1001 CA SER A 63 17.013 5.569 7.118 1.00 0.00 C ATOM 1002 C SER A 63 17.876 6.725 7.612 1.00 0.00 C ATOM 1003 O SER A 63 18.635 7.319 6.846 1.00 0.00 O ATOM 1004 CB SER A 63 15.566 6.035 6.943 1.00 0.00 C ATOM 1005 OG SER A 63 15.094 6.681 8.113 1.00 0.00 O ATOM 0 H SER A 63 16.167 4.032 8.267 1.00 0.00 H new ATOM 0 HA SER A 63 17.400 5.237 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.500 6.717 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.930 5.180 6.714 1.00 0.00 H new ATOM 0 HG SER A 63 14.168 6.971 7.976 1.00 0.00 H new ATOM 1011 N ASP A 64 17.754 7.039 8.897 1.00 0.00 N ATOM 1012 CA ASP A 64 18.523 8.124 9.496 1.00 0.00 C ATOM 1013 C ASP A 64 19.945 8.150 8.944 1.00 0.00 C ATOM 1014 O ASP A 64 20.433 9.193 8.507 1.00 0.00 O ATOM 1015 CB ASP A 64 18.556 7.975 11.018 1.00 0.00 C ATOM 1016 CG ASP A 64 19.686 8.762 11.652 1.00 0.00 C ATOM 1017 OD1 ASP A 64 20.855 8.347 11.503 1.00 0.00 O ATOM 1018 OD2 ASP A 64 19.402 9.792 12.298 1.00 0.00 O ATOM 0 H ASP A 64 17.130 6.558 9.544 1.00 0.00 H new ATOM 0 HA ASP A 64 18.036 9.065 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.606 8.310 11.434 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.662 6.921 11.275 1.00 0.00 H new ATOM 1023 N PHE A 65 20.605 6.997 8.969 1.00 0.00 N ATOM 1024 CA PHE A 65 21.973 6.888 8.473 1.00 0.00 C ATOM 1025 C PHE A 65 22.079 7.426 7.049 1.00 0.00 C ATOM 1026 O PHE A 65 23.033 8.124 6.707 1.00 0.00 O ATOM 1027 CB PHE A 65 22.439 5.432 8.517 1.00 0.00 C ATOM 1028 CG PHE A 65 22.945 5.004 9.865 1.00 0.00 C ATOM 1029 CD1 PHE A 65 22.092 4.957 10.956 1.00 0.00 C ATOM 1030 CD2 PHE A 65 24.273 4.651 10.041 1.00 0.00 C ATOM 1031 CE1 PHE A 65 22.555 4.564 12.198 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.740 4.256 11.280 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.881 4.214 12.360 1.00 0.00 C ATOM 0 H PHE A 65 20.215 6.125 9.327 1.00 0.00 H new ATOM 0 HA PHE A 65 22.616 7.487 9.118 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.611 4.785 8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.229 5.289 7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 65 21.054 5.230 10.835 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.951 4.685 9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.880 4.531 13.041 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.777 3.980 11.404 1.00 0.00 H new ATOM 0 HZ PHE A 65 24.245 3.908 13.330 1.00 0.00 H new ATOM 1043 N GLY A 66 21.092 7.095 6.222 1.00 0.00 N ATOM 1044 CA GLY A 66 21.093 7.552 4.845 1.00 0.00 C ATOM 1045 C GLY A 66 21.065 6.405 3.854 1.00 0.00 C ATOM 1046 O GLY A 66 21.761 6.434 2.839 1.00 0.00 O ATOM 0 H GLY A 66 20.292 6.518 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.228 8.194 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.980 8.160 4.668 1.00 0.00 H new ATOM 1050 N CYS A 67 20.258 5.391 4.148 1.00 0.00 N ATOM 1051 CA CYS A 67 20.142 4.227 3.277 1.00 0.00 C ATOM 1052 C CYS A 67 19.081 4.454 2.204 1.00 0.00 C ATOM 1053 O CYS A 67 17.882 4.495 2.481 1.00 0.00 O ATOM 1054 CB CYS A 67 19.797 2.983 4.097 1.00 0.00 C ATOM 1055 SG CYS A 67 20.447 1.430 3.401 1.00 0.00 S ATOM 0 H CYS A 67 19.674 5.352 4.983 1.00 0.00 H new ATOM 0 HA CYS A 67 21.103 4.075 2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.187 3.107 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.713 2.905 4.181 1.00 0.00 H new ATOM 0 HG CYS A 67 20.657 0.579 4.361 1.00 0.00 H new ATOM 1060 N PRO A 68 19.531 4.606 0.950 1.00 0.00 N ATOM 1061 CA PRO A 68 18.637 4.830 -0.190 1.00 0.00 C ATOM 1062 C PRO A 68 17.811 3.595 -0.531 1.00 0.00 C ATOM 1063 O PRO A 68 16.891 3.656 -1.347 1.00 0.00 O ATOM 1064 CB PRO A 68 19.598 5.163 -1.334 1.00 0.00 C ATOM 1065 CG PRO A 68 20.881 4.509 -0.954 1.00 0.00 C ATOM 1066 CD PRO A 68 20.947 4.568 0.547 1.00 0.00 C ATOM 0 HA PRO A 68 17.906 5.613 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.227 4.783 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.721 6.240 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.913 3.478 -1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.730 5.025 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.459 3.700 0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.486 5.450 0.891 1.00 0.00 H new ATOM 1074 N PHE A 69 18.143 2.474 0.100 1.00 0.00 N ATOM 1075 CA PHE A 69 17.432 1.223 -0.137 1.00 0.00 C ATOM 1076 C PHE A 69 15.999 1.306 0.381 1.00 0.00 C ATOM 1077 O PHE A 69 15.759 1.718 1.516 1.00 0.00 O ATOM 1078 CB PHE A 69 18.163 0.060 0.537 1.00 0.00 C ATOM 1079 CG PHE A 69 19.410 -0.363 -0.184 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.626 0.240 0.096 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.367 -1.362 -1.143 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.777 -0.147 -0.566 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.514 -1.753 -1.808 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.720 -1.144 -1.520 1.00 0.00 C ATOM 0 H PHE A 69 18.900 2.406 0.780 1.00 0.00 H new ATOM 0 HA PHE A 69 17.402 1.049 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.422 0.346 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.487 -0.792 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.675 1.021 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.427 -1.841 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.719 0.330 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.467 -2.534 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.617 -1.447 -2.040 1.00 0.00 H new ATOM 1094 N THR A 70 15.048 0.912 -0.461 1.00 0.00 N ATOM 1095 CA THR A 70 13.639 0.943 -0.091 1.00 0.00 C ATOM 1096 C THR A 70 12.951 -0.374 -0.433 1.00 0.00 C ATOM 1097 O THR A 70 13.117 -0.904 -1.531 1.00 0.00 O ATOM 1098 CB THR A 70 12.898 2.094 -0.797 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.236 2.115 -2.188 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.249 3.432 -0.164 1.00 0.00 C ATOM 0 H THR A 70 15.229 0.568 -1.404 1.00 0.00 H new ATOM 0 HA THR A 70 13.599 1.101 0.987 1.00 0.00 H new ATOM 0 HB THR A 70 11.826 1.928 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.189 1.205 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.714 4.230 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.963 3.423 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.322 3.603 -0.246 1.00 0.00 H new ATOM 1108 N MET A 71 12.178 -0.896 0.514 1.00 0.00 N ATOM 1109 CA MET A 71 11.464 -2.151 0.310 1.00 0.00 C ATOM 1110 C MET A 71 10.348 -2.314 1.337 1.00 0.00 C ATOM 1111 O MET A 71 10.224 -1.515 2.265 1.00 0.00 O ATOM 1112 CB MET A 71 12.431 -3.333 0.399 1.00 0.00 C ATOM 1113 CG MET A 71 13.284 -3.327 1.657 1.00 0.00 C ATOM 1114 SD MET A 71 14.830 -2.423 1.443 1.00 0.00 S ATOM 1115 CE MET A 71 14.621 -1.107 2.639 1.00 0.00 C ATOM 0 H MET A 71 12.030 -0.470 1.429 1.00 0.00 H new ATOM 0 HA MET A 71 11.019 -2.129 -0.685 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.861 -4.262 0.361 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.085 -3.324 -0.473 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.717 -2.881 2.474 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.505 -4.354 1.946 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.397 -0.356 2.493 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.642 -0.647 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.697 -1.516 3.647 1.00 0.00 H new ATOM 1125 N ALA A 72 9.538 -3.353 1.165 1.00 0.00 N ATOM 1126 CA ALA A 72 8.434 -3.621 2.078 1.00 0.00 C ATOM 1127 C ALA A 72 8.942 -3.890 3.490 1.00 0.00 C ATOM 1128 O ALA A 72 10.019 -4.457 3.675 1.00 0.00 O ATOM 1129 CB ALA A 72 7.609 -4.798 1.578 1.00 0.00 C ATOM 0 H ALA A 72 9.626 -4.023 0.401 1.00 0.00 H new ATOM 0 HA ALA A 72 7.800 -2.735 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.788 -4.987 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.207 -4.567 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.241 -5.684 1.514 1.00 0.00 H new ATOM 1135 N ARG A 73 8.160 -3.480 4.483 1.00 0.00 N ATOM 1136 CA ARG A 73 8.532 -3.675 5.879 1.00 0.00 C ATOM 1137 C ARG A 73 8.792 -5.150 6.171 1.00 0.00 C ATOM 1138 O ARG A 73 9.761 -5.499 6.844 1.00 0.00 O ATOM 1139 CB ARG A 73 7.432 -3.148 6.802 1.00 0.00 C ATOM 1140 CG ARG A 73 7.608 -1.689 7.189 1.00 0.00 C ATOM 1141 CD ARG A 73 6.668 -1.295 8.317 1.00 0.00 C ATOM 1142 NE ARG A 73 6.633 0.151 8.520 1.00 0.00 N ATOM 1143 CZ ARG A 73 7.526 0.813 9.247 1.00 0.00 C ATOM 1144 NH1 ARG A 73 8.518 0.162 9.837 1.00 0.00 N ATOM 1145 NH2 ARG A 73 7.427 2.129 9.385 1.00 0.00 N ATOM 0 H ARG A 73 7.265 -3.011 4.347 1.00 0.00 H new ATOM 0 HA ARG A 73 9.450 -3.117 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.467 -3.271 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.408 -3.755 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.639 -1.515 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.422 -1.056 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.663 -1.654 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.984 -1.783 9.239 1.00 0.00 H new ATOM 0 HE ARG A 73 5.882 0.682 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.597 -0.850 9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.203 0.673 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.665 2.633 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.113 2.636 9.944 1.00 0.00 H new ATOM 1159 N ASN A 74 7.919 -6.012 5.660 1.00 0.00 N ATOM 1160 CA ASN A 74 8.054 -7.450 5.866 1.00 0.00 C ATOM 1161 C ASN A 74 9.139 -8.030 4.964 1.00 0.00 C ATOM 1162 O ASN A 74 9.309 -9.246 4.882 1.00 0.00 O ATOM 1163 CB ASN A 74 6.721 -8.152 5.597 1.00 0.00 C ATOM 1164 CG ASN A 74 6.774 -9.633 5.915 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.465 -10.056 6.842 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.041 -10.430 5.146 1.00 0.00 N ATOM 0 H ASN A 74 7.111 -5.740 5.100 1.00 0.00 H new ATOM 0 HA ASN A 74 8.342 -7.618 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.939 -7.683 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.447 -8.017 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.036 -11.436 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.483 -10.036 4.389 1.00 0.00 H new ATOM 1173 N LYS A 75 9.871 -7.151 4.288 1.00 0.00 N ATOM 1174 CA LYS A 75 10.941 -7.574 3.393 1.00 0.00 C ATOM 1175 C LYS A 75 12.276 -6.969 3.817 1.00 0.00 C ATOM 1176 O LYS A 75 13.338 -7.518 3.524 1.00 0.00 O ATOM 1177 CB LYS A 75 10.620 -7.167 1.953 1.00 0.00 C ATOM 1178 CG LYS A 75 11.831 -7.166 1.036 1.00 0.00 C ATOM 1179 CD LYS A 75 12.421 -8.559 0.890 1.00 0.00 C ATOM 1180 CE LYS A 75 13.195 -8.702 -0.412 1.00 0.00 C ATOM 1181 NZ LYS A 75 14.031 -9.934 -0.427 1.00 0.00 N ATOM 0 H LYS A 75 9.742 -6.141 4.343 1.00 0.00 H new ATOM 0 HA LYS A 75 11.019 -8.660 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.871 -7.848 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.176 -6.171 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.545 -6.786 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.588 -6.489 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.082 -8.766 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.622 -9.299 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.497 -8.726 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.832 -7.829 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.543 -9.995 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.714 -9.899 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.421 -10.769 -0.317 1.00 0.00 H new ATOM 1195 N VAL A 76 12.214 -5.836 4.509 1.00 0.00 N ATOM 1196 CA VAL A 76 13.418 -5.158 4.976 1.00 0.00 C ATOM 1197 C VAL A 76 14.309 -6.106 5.771 1.00 0.00 C ATOM 1198 O VAL A 76 15.523 -6.143 5.575 1.00 0.00 O ATOM 1199 CB VAL A 76 13.072 -3.940 5.853 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.327 -3.372 6.497 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.357 -2.878 5.030 1.00 0.00 C ATOM 0 H VAL A 76 11.343 -5.368 4.759 1.00 0.00 H new ATOM 0 HA VAL A 76 13.954 -4.818 4.090 1.00 0.00 H new ATOM 0 HB VAL A 76 12.400 -4.265 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.063 -2.512 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.793 -4.135 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.026 -3.061 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.120 -2.024 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.003 -2.555 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.436 -3.293 4.621 1.00 0.00 H new ATOM 1211 N ALA A 77 13.696 -6.872 6.668 1.00 0.00 N ATOM 1212 CA ALA A 77 14.434 -7.822 7.491 1.00 0.00 C ATOM 1213 C ALA A 77 15.581 -8.452 6.709 1.00 0.00 C ATOM 1214 O ALA A 77 16.705 -8.541 7.202 1.00 0.00 O ATOM 1215 CB ALA A 77 13.498 -8.900 8.019 1.00 0.00 C ATOM 0 H ALA A 77 12.691 -6.853 6.843 1.00 0.00 H new ATOM 0 HA ALA A 77 14.860 -7.280 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.062 -9.603 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.716 -8.439 8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.045 -9.431 7.182 1.00 0.00 H new ATOM 1221 N GLU A 78 15.289 -8.888 5.487 1.00 0.00 N ATOM 1222 CA GLU A 78 16.298 -9.511 4.638 1.00 0.00 C ATOM 1223 C GLU A 78 17.379 -8.507 4.251 1.00 0.00 C ATOM 1224 O GLU A 78 18.573 -8.782 4.380 1.00 0.00 O ATOM 1225 CB GLU A 78 15.649 -10.089 3.378 1.00 0.00 C ATOM 1226 CG GLU A 78 16.621 -10.278 2.225 1.00 0.00 C ATOM 1227 CD GLU A 78 17.976 -10.783 2.681 1.00 0.00 C ATOM 1228 OE1 GLU A 78 18.014 -11.753 3.467 1.00 0.00 O ATOM 1229 OE2 GLU A 78 18.998 -10.207 2.254 1.00 0.00 O ATOM 0 H GLU A 78 14.363 -8.821 5.064 1.00 0.00 H new ATOM 0 HA GLU A 78 16.763 -10.319 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.195 -11.050 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.843 -9.428 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.197 -10.982 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.748 -9.330 1.703 1.00 0.00 H new ATOM 1236 N HIS A 79 16.953 -7.341 3.776 1.00 0.00 N ATOM 1237 CA HIS A 79 17.884 -6.294 3.370 1.00 0.00 C ATOM 1238 C HIS A 79 18.820 -5.924 4.517 1.00 0.00 C ATOM 1239 O HIS A 79 19.999 -5.642 4.304 1.00 0.00 O ATOM 1240 CB HIS A 79 17.120 -5.056 2.900 1.00 0.00 C ATOM 1241 CG HIS A 79 17.961 -3.818 2.847 1.00 0.00 C ATOM 1242 ND1 HIS A 79 18.952 -3.620 1.909 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.952 -2.709 3.623 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.518 -2.444 2.112 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.929 -1.870 3.146 1.00 0.00 N ATOM 0 H HIS A 79 15.969 -7.097 3.663 1.00 0.00 H new ATOM 0 HA HIS A 79 18.484 -6.676 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.708 -5.248 1.909 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.276 -4.884 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.298 -2.519 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.325 -2.023 1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.162 -0.953 3.528 1.00 0.00 H new ATOM 1253 N LEU A 80 18.286 -5.927 5.734 1.00 0.00 N ATOM 1254 CA LEU A 80 19.072 -5.591 6.915 1.00 0.00 C ATOM 1255 C LEU A 80 20.298 -6.492 7.028 1.00 0.00 C ATOM 1256 O LEU A 80 21.357 -6.060 7.481 1.00 0.00 O ATOM 1257 CB LEU A 80 18.215 -5.718 8.176 1.00 0.00 C ATOM 1258 CG LEU A 80 17.241 -4.570 8.443 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.253 -4.950 9.535 1.00 0.00 C ATOM 1260 CD2 LEU A 80 17.998 -3.305 8.823 1.00 0.00 C ATOM 0 H LEU A 80 17.312 -6.159 5.928 1.00 0.00 H new ATOM 0 HA LEU A 80 19.409 -4.559 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.645 -6.645 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.879 -5.812 9.035 1.00 0.00 H new ATOM 0 HG LEU A 80 16.682 -4.374 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.568 -4.120 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.687 -5.828 9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.795 -5.174 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.289 -2.499 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.584 -3.488 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.664 -3.021 8.008 1.00 0.00 H new ATOM 1272 N GLU A 81 20.146 -7.745 6.610 1.00 0.00 N ATOM 1273 CA GLU A 81 21.241 -8.706 6.663 1.00 0.00 C ATOM 1274 C GLU A 81 22.385 -8.278 5.747 1.00 0.00 C ATOM 1275 O GLU A 81 23.557 -8.464 6.072 1.00 0.00 O ATOM 1276 CB GLU A 81 20.748 -10.098 6.265 1.00 0.00 C ATOM 1277 CG GLU A 81 19.588 -10.597 7.111 1.00 0.00 C ATOM 1278 CD GLU A 81 19.448 -12.107 7.076 1.00 0.00 C ATOM 1279 OE1 GLU A 81 19.400 -12.672 5.964 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.387 -12.722 8.161 1.00 0.00 O ATOM 0 H GLU A 81 19.275 -8.118 6.231 1.00 0.00 H new ATOM 0 HA GLU A 81 21.611 -8.740 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.443 -10.081 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.575 -10.804 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.729 -10.273 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.663 -10.142 6.757 1.00 0.00 H new ATOM 1287 N MET A 82 22.033 -7.706 4.600 1.00 0.00 N ATOM 1288 CA MET A 82 23.029 -7.252 3.636 1.00 0.00 C ATOM 1289 C MET A 82 23.057 -5.729 3.560 1.00 0.00 C ATOM 1290 O MET A 82 23.530 -5.154 2.579 1.00 0.00 O ATOM 1291 CB MET A 82 22.737 -7.838 2.254 1.00 0.00 C ATOM 1292 CG MET A 82 21.396 -7.408 1.683 1.00 0.00 C ATOM 1293 SD MET A 82 21.508 -5.895 0.708 1.00 0.00 S ATOM 1294 CE MET A 82 20.342 -6.250 -0.604 1.00 0.00 C ATOM 0 H MET A 82 21.067 -7.546 4.316 1.00 0.00 H new ATOM 0 HA MET A 82 24.007 -7.600 3.970 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.528 -7.538 1.567 1.00 0.00 H new ATOM 0 HB3 MET A 82 22.764 -8.926 2.316 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.998 -8.208 1.060 1.00 0.00 H new ATOM 0 HG3 MET A 82 20.689 -7.258 2.499 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.299 -5.405 -1.291 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.662 -7.141 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.354 -6.420 -0.176 1.00 0.00 H new ATOM 1304 N CYS A 83 22.548 -5.079 4.602 1.00 0.00 N ATOM 1305 CA CYS A 83 22.513 -3.623 4.653 1.00 0.00 C ATOM 1306 C CYS A 83 23.736 -3.075 5.383 1.00 0.00 C ATOM 1307 O CYS A 83 24.127 -3.564 6.443 1.00 0.00 O ATOM 1308 CB CYS A 83 21.235 -3.146 5.346 1.00 0.00 C ATOM 1309 SG CYS A 83 21.222 -1.368 5.741 1.00 0.00 S ATOM 0 H CYS A 83 22.154 -5.539 5.423 1.00 0.00 H new ATOM 0 HA CYS A 83 22.524 -3.248 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.382 -3.371 4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.101 -3.713 6.267 1.00 0.00 H new ATOM 0 HG CYS A 83 19.996 -0.935 5.754 1.00 0.00 H new ATOM 1314 N PRO A 84 24.354 -2.035 4.805 1.00 0.00 N ATOM 1315 CA PRO A 84 25.540 -1.397 5.383 1.00 0.00 C ATOM 1316 C PRO A 84 25.219 -0.623 6.657 1.00 0.00 C ATOM 1317 O PRO A 84 25.909 -0.757 7.667 1.00 0.00 O ATOM 1318 CB PRO A 84 26.003 -0.442 4.280 1.00 0.00 C ATOM 1319 CG PRO A 84 24.773 -0.149 3.492 1.00 0.00 C ATOM 1320 CD PRO A 84 23.941 -1.401 3.541 1.00 0.00 C ATOM 0 HA PRO A 84 26.293 -2.128 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.431 0.469 4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.772 -0.899 3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.231 0.697 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 84 25.022 0.114 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.875 -1.175 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 84 24.136 -2.047 2.685 1.00 0.00 H new ATOM 1328 N ALA A 85 24.167 0.187 6.603 1.00 0.00 N ATOM 1329 CA ALA A 85 23.753 0.980 7.754 1.00 0.00 C ATOM 1330 C ALA A 85 23.512 0.095 8.972 1.00 0.00 C ATOM 1331 O ALA A 85 23.628 0.547 10.112 1.00 0.00 O ATOM 1332 CB ALA A 85 22.500 1.777 7.422 1.00 0.00 C ATOM 0 H ALA A 85 23.586 0.311 5.774 1.00 0.00 H new ATOM 0 HA ALA A 85 24.558 1.674 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.202 2.365 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.705 2.445 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.695 1.094 7.153 1.00 0.00 H new ATOM 1338 N SER A 86 23.176 -1.166 8.725 1.00 0.00 N ATOM 1339 CA SER A 86 22.914 -2.113 9.802 1.00 0.00 C ATOM 1340 C SER A 86 24.216 -2.707 10.332 1.00 0.00 C ATOM 1341 O SER A 86 24.280 -3.888 10.674 1.00 0.00 O ATOM 1342 CB SER A 86 21.992 -3.232 9.314 1.00 0.00 C ATOM 1343 OG SER A 86 21.308 -3.839 10.397 1.00 0.00 O ATOM 0 H SER A 86 23.079 -1.556 7.788 1.00 0.00 H new ATOM 0 HA SER A 86 22.423 -1.575 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.270 -2.829 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.576 -3.983 8.782 1.00 0.00 H new ATOM 0 HG SER A 86 21.958 -4.157 11.058 1.00 0.00 H new