USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 475 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 41 GLN : amide:sc= 1.8 K(o=2.4,f=-4.1!) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.618 K(o=2.4,f=-4.3) USER MOD Set 2.1: A 31 CYS SG : rot -161:sc= 0.781 USER MOD Set 2.2: A 33 THR OG1 : rot 98:sc= 0.317 USER MOD Set 2.3: A 34 CYS SG : rot -55:sc= 0.229 USER MOD Set 2.4: A 53 CYS SG : rot -46:sc= 0.51 USER MOD Set 2.5: A 55 HIS : no HE2:sc= 0.621 K(o=2.9,f=-0.85!) USER MOD Set 2.6: A 56 CYS SG : rot -54:sc= 0.419 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0) USER MOD Set 3.2: A 26 THR OG1 : rot -100:sc= 0.962 USER MOD Set 4.1: A 14 CYS SG : rot 178:sc= -0.269 USER MOD Set 4.2: A 17 CYS SG : rot -67:sc= -1.29 USER MOD Set 4.3: A 67 CYS SG : rot 180:sc= 0.39 USER MOD Set 4.4: A 70 CYS SG : rot -69:sc= 0.815 USER MOD Single : A 18 HIS : no HE2:sc= 1.29 K(o=1.3,f=-8!) USER MOD Single : A 20 SER OG : rot -67:sc= 1.35 USER MOD Single : A 27 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.553 K(o=0.55,f=-0.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 35 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.7!) USER MOD Single : A 37 SER OG : rot 88:sc= 1.14 USER MOD Single : A 39 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.5) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.3) USER MOD Single : A 51 GLN : amide:sc= 0.44 K(o=0.44,f=-7.8!) USER MOD Single : A 52 THR OG1 : rot 103:sc= 0.079 USER MOD Single : A 57 GLN : amide:sc= 1.16 K(o=1.2,f=-0.017) USER MOD Single : A 61 THR OG1 : rot 37:sc= 0.852 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.0247 (180deg=-0.118) USER MOD Single : A 68 ASN : amide:sc= 0.117 K(o=0.12,f=-4.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 0.952 K(o=0.95,f=-3.5!) USER MOD Single : A 73 HIS : no HE2:sc= 0.69 K(o=0.69,f=-3.3!) USER MOD Single : A 79 SER OG : rot -63:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 165 N LEU A 11 10.469 -17.817 -4.699 1.00 10.00 N ATOM 166 CA LEU A 11 9.547 -17.502 -3.617 1.00 10.00 C ATOM 167 C LEU A 11 10.214 -17.807 -2.272 1.00 10.00 C ATOM 168 O LEU A 11 11.194 -18.552 -2.220 1.00 10.00 O ATOM 169 CB LEU A 11 8.264 -18.337 -3.792 1.00 10.00 C ATOM 170 CG LEU A 11 7.364 -17.818 -4.930 1.00 10.00 C ATOM 171 CD1 LEU A 11 6.521 -18.940 -5.534 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.412 -16.733 -4.427 1.00 10.00 C ATOM 0 HA LEU A 11 9.286 -16.444 -3.640 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.535 -19.373 -3.993 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.702 -18.330 -2.858 1.00 10.00 H new ATOM 0 HG LEU A 11 8.031 -17.410 -5.689 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.899 -18.538 -6.333 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.177 -19.711 -5.938 1.00 10.00 H new ATOM 0 HD13 LEU A 11 5.885 -19.373 -4.762 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.789 -16.385 -5.251 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.778 -17.142 -3.640 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.989 -15.898 -4.031 1.00 10.00 H new ATOM 184 N GLU A 12 9.666 -17.230 -1.198 1.00 10.00 N ATOM 185 CA GLU A 12 10.062 -17.413 0.192 1.00 10.00 C ATOM 186 C GLU A 12 8.777 -17.450 1.016 1.00 10.00 C ATOM 187 O GLU A 12 7.797 -16.804 0.642 1.00 10.00 O ATOM 188 CB GLU A 12 10.921 -16.244 0.689 1.00 10.00 C ATOM 189 CG GLU A 12 12.206 -16.072 -0.118 1.00 10.00 C ATOM 190 CD GLU A 12 13.107 -15.011 0.505 1.00 10.00 C ATOM 191 OE1 GLU A 12 12.899 -13.824 0.172 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.987 -15.408 1.298 1.00 10.00 O ATOM 0 H GLU A 12 8.884 -16.582 -1.288 1.00 10.00 H new ATOM 0 HA GLU A 12 10.648 -18.327 0.288 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.339 -15.324 0.638 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.174 -16.404 1.737 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.738 -17.022 -0.167 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.961 -15.790 -1.142 1.00 10.00 H new ATOM 199 N GLU A 13 8.776 -18.171 2.138 1.00 10.00 N ATOM 200 CA GLU A 13 7.621 -18.224 3.018 1.00 10.00 C ATOM 201 C GLU A 13 7.470 -16.871 3.719 1.00 10.00 C ATOM 202 O GLU A 13 8.463 -16.243 4.084 1.00 10.00 O ATOM 203 CB GLU A 13 7.740 -19.398 4.007 1.00 10.00 C ATOM 204 CG GLU A 13 8.623 -19.150 5.246 1.00 10.00 C ATOM 205 CD GLU A 13 10.073 -18.788 4.925 1.00 10.00 C ATOM 206 OE1 GLU A 13 10.576 -19.283 3.891 1.00 10.00 O ATOM 207 OE2 GLU A 13 10.655 -18.029 5.730 1.00 10.00 O ATOM 0 H GLU A 13 9.570 -18.727 2.455 1.00 10.00 H new ATOM 0 HA GLU A 13 6.716 -18.408 2.439 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.739 -19.665 4.346 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.135 -20.261 3.471 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.183 -18.346 5.836 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.614 -20.045 5.869 1.00 10.00 H new ATOM 214 N CYS A 14 6.236 -16.416 3.930 1.00 10.00 N ATOM 215 CA CYS A 14 6.009 -15.159 4.616 1.00 10.00 C ATOM 216 C CYS A 14 6.166 -15.399 6.117 1.00 10.00 C ATOM 217 O CYS A 14 5.201 -15.742 6.806 1.00 10.00 O ATOM 218 CB CYS A 14 4.632 -14.601 4.268 1.00 10.00 C ATOM 219 SG CYS A 14 4.313 -12.970 4.998 1.00 10.00 S ATOM 0 H CYS A 14 5.388 -16.900 3.636 1.00 10.00 H new ATOM 0 HA CYS A 14 6.737 -14.413 4.298 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.539 -14.531 3.184 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.868 -15.300 4.609 1.00 10.00 H new ATOM 0 HG CYS A 14 3.147 -12.543 4.614 1.00 10.00 H new ATOM 224 N ASP A 15 7.389 -15.212 6.618 1.00 10.00 N ATOM 225 CA ASP A 15 7.763 -15.366 8.021 1.00 10.00 C ATOM 226 C ASP A 15 6.775 -14.648 8.946 1.00 10.00 C ATOM 227 O ASP A 15 6.440 -15.156 10.016 1.00 10.00 O ATOM 228 CB ASP A 15 9.197 -14.860 8.244 1.00 10.00 C ATOM 229 CG ASP A 15 9.311 -13.340 8.141 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.899 -12.807 7.087 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.780 -12.734 9.128 1.00 10.00 O ATOM 0 H ASP A 15 8.177 -14.938 6.031 1.00 10.00 H new ATOM 0 HA ASP A 15 7.725 -16.427 8.270 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.541 -15.180 9.227 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.858 -15.320 7.510 1.00 10.00 H new ATOM 236 N VAL A 16 6.289 -13.482 8.506 1.00 10.00 N ATOM 237 CA VAL A 16 5.308 -12.676 9.216 1.00 10.00 C ATOM 238 C VAL A 16 4.113 -13.544 9.637 1.00 10.00 C ATOM 239 O VAL A 16 3.738 -13.536 10.804 1.00 10.00 O ATOM 240 CB VAL A 16 4.895 -11.470 8.352 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.903 -10.566 9.086 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.109 -10.621 7.955 1.00 10.00 C ATOM 0 H VAL A 16 6.580 -13.067 7.621 1.00 10.00 H new ATOM 0 HA VAL A 16 5.747 -12.279 10.131 1.00 10.00 H new ATOM 0 HB VAL A 16 4.425 -11.883 7.459 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.634 -9.726 8.446 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.007 -11.135 9.334 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.360 -10.192 10.002 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.781 -9.779 7.346 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.602 -10.249 8.853 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.808 -11.231 7.383 1.00 10.00 H new ATOM 252 N CYS A 17 3.555 -14.338 8.714 1.00 10.00 N ATOM 253 CA CYS A 17 2.470 -15.273 9.024 1.00 10.00 C ATOM 254 C CYS A 17 2.997 -16.699 9.153 1.00 10.00 C ATOM 255 O CYS A 17 2.250 -17.669 9.019 1.00 10.00 O ATOM 256 CB CYS A 17 1.350 -15.181 7.993 1.00 10.00 C ATOM 257 SG CYS A 17 1.799 -15.425 6.272 1.00 10.00 S ATOM 0 H CYS A 17 3.843 -14.349 7.736 1.00 10.00 H new ATOM 0 HA CYS A 17 2.048 -14.989 9.988 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.591 -15.919 8.252 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.885 -14.199 8.085 1.00 10.00 H new ATOM 0 HG CYS A 17 2.556 -14.444 5.878 1.00 10.00 H new ATOM 262 N HIS A 18 4.293 -16.836 9.425 1.00 10.00 N ATOM 263 CA HIS A 18 4.958 -18.097 9.674 1.00 10.00 C ATOM 264 C HIS A 18 4.706 -19.072 8.519 1.00 10.00 C ATOM 265 O HIS A 18 4.560 -20.275 8.722 1.00 10.00 O ATOM 266 CB HIS A 18 4.505 -18.615 11.051 1.00 10.00 C ATOM 267 CG HIS A 18 4.274 -17.527 12.086 1.00 10.00 C ATOM 268 ND1 HIS A 18 4.952 -16.326 12.178 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.187 -17.441 12.918 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.291 -15.553 13.058 1.00 10.00 C ATOM 271 NE2 HIS A 18 3.203 -16.184 13.534 1.00 10.00 N ATOM 0 H HIS A 18 4.925 -16.037 9.478 1.00 10.00 H new ATOM 0 HA HIS A 18 6.041 -17.977 9.711 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.583 -19.183 10.927 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.257 -19.307 11.431 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.800 -16.072 11.671 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.446 -18.211 13.072 1.00 10.00 H new ATOM 0 HE1 HIS A 18 4.594 -14.557 13.345 1.00 10.00 H new ATOM 279 N GLY A 19 4.637 -18.535 7.296 1.00 10.00 N ATOM 280 CA GLY A 19 4.402 -19.310 6.091 1.00 10.00 C ATOM 281 C GLY A 19 2.964 -19.819 5.922 1.00 10.00 C ATOM 282 O GLY A 19 2.683 -20.470 4.915 1.00 10.00 O ATOM 0 H GLY A 19 4.745 -17.536 7.122 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.660 -18.698 5.227 1.00 10.00 H new ATOM 0 HA3 GLY A 19 5.078 -20.165 6.089 1.00 10.00 H new ATOM 286 N SER A 20 2.047 -19.547 6.861 1.00 10.00 N ATOM 287 CA SER A 20 0.680 -20.040 6.734 1.00 10.00 C ATOM 288 C SER A 20 -0.105 -19.192 5.740 1.00 10.00 C ATOM 289 O SER A 20 -0.463 -19.652 4.659 1.00 10.00 O ATOM 290 CB SER A 20 -0.041 -20.085 8.092 1.00 10.00 C ATOM 291 OG SER A 20 -0.178 -18.806 8.692 1.00 10.00 O ATOM 0 H SER A 20 2.228 -18.997 7.701 1.00 10.00 H new ATOM 0 HA SER A 20 0.735 -21.062 6.359 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.029 -20.524 7.958 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.510 -20.740 8.768 1.00 10.00 H new ATOM 0 HG SER A 20 0.707 -18.464 8.939 1.00 10.00 H new ATOM 297 N GLY A 21 -0.406 -17.966 6.159 1.00 10.00 N ATOM 298 CA GLY A 21 -1.221 -16.998 5.451 1.00 10.00 C ATOM 299 C GLY A 21 -2.068 -16.181 6.431 1.00 10.00 C ATOM 300 O GLY A 21 -2.559 -15.120 6.058 1.00 10.00 O ATOM 0 H GLY A 21 -0.066 -17.607 7.051 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.582 -16.331 4.872 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.871 -17.512 4.742 1.00 10.00 H new ATOM 304 N ALA A 22 -2.239 -16.643 7.677 1.00 10.00 N ATOM 305 CA ALA A 22 -3.020 -15.932 8.686 1.00 10.00 C ATOM 306 C ALA A 22 -2.116 -14.963 9.457 1.00 10.00 C ATOM 307 O ALA A 22 -0.992 -15.328 9.789 1.00 10.00 O ATOM 308 CB ALA A 22 -3.684 -16.953 9.606 1.00 10.00 C ATOM 0 H ALA A 22 -1.838 -17.520 8.009 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.803 -15.337 8.215 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.270 -16.433 10.364 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.339 -17.599 9.021 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.918 -17.558 10.092 1.00 10.00 H new ATOM 314 N LYS A 23 -2.561 -13.724 9.703 1.00 10.00 N ATOM 315 CA LYS A 23 -1.720 -12.713 10.353 1.00 10.00 C ATOM 316 C LYS A 23 -1.047 -13.206 11.660 1.00 10.00 C ATOM 317 O LYS A 23 -1.616 -14.044 12.359 1.00 10.00 O ATOM 318 CB LYS A 23 -2.436 -11.346 10.427 1.00 10.00 C ATOM 319 CG LYS A 23 -3.801 -11.286 11.121 1.00 10.00 C ATOM 320 CD LYS A 23 -3.702 -11.350 12.649 1.00 10.00 C ATOM 321 CE LYS A 23 -5.075 -11.110 13.287 1.00 10.00 C ATOM 322 NZ LYS A 23 -5.004 -11.181 14.756 1.00 10.00 N ATOM 0 H LYS A 23 -3.497 -13.399 9.462 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.856 -12.538 9.711 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.771 -10.648 10.936 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.563 -10.980 9.408 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.308 -10.365 10.834 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -4.418 -12.112 10.768 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.318 -12.324 12.954 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.993 -10.602 13.005 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -5.452 -10.132 12.986 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -5.784 -11.852 12.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.961 -11.099 15.154 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.588 -12.091 15.040 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.413 -10.403 15.113 1.00 10.00 H new ATOM 336 N PRO A 24 0.176 -12.720 11.967 1.00 10.00 N ATOM 337 CA PRO A 24 1.028 -13.101 13.090 1.00 10.00 C ATOM 338 C PRO A 24 0.361 -13.736 14.312 1.00 10.00 C ATOM 339 O PRO A 24 -0.567 -13.166 14.890 1.00 10.00 O ATOM 340 CB PRO A 24 1.765 -11.820 13.468 1.00 10.00 C ATOM 341 CG PRO A 24 1.994 -11.148 12.115 1.00 10.00 C ATOM 342 CD PRO A 24 0.911 -11.728 11.193 1.00 10.00 C ATOM 0 HA PRO A 24 1.668 -13.919 12.759 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.172 -11.194 14.135 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.704 -12.030 13.979 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.907 -10.064 12.193 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.992 -11.361 11.733 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.243 -10.942 10.841 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.360 -12.183 10.310 1.00 10.00 H new ATOM 350 N GLY A 25 0.854 -14.913 14.724 1.00 10.00 N ATOM 351 CA GLY A 25 0.387 -15.640 15.900 1.00 10.00 C ATOM 352 C GLY A 25 -0.991 -16.283 15.722 1.00 10.00 C ATOM 353 O GLY A 25 -1.213 -17.423 16.130 1.00 10.00 O ATOM 0 H GLY A 25 1.608 -15.393 14.232 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.111 -16.417 16.147 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.352 -14.956 16.748 1.00 10.00 H new ATOM 357 N THR A 26 -1.924 -15.554 15.115 1.00 10.00 N ATOM 358 CA THR A 26 -3.282 -15.991 14.872 1.00 10.00 C ATOM 359 C THR A 26 -3.254 -17.041 13.762 1.00 10.00 C ATOM 360 O THR A 26 -3.456 -16.729 12.593 1.00 10.00 O ATOM 361 CB THR A 26 -4.128 -14.762 14.511 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.873 -13.709 15.428 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.625 -15.078 14.543 1.00 10.00 C ATOM 0 H THR A 26 -1.742 -14.612 14.770 1.00 10.00 H new ATOM 0 HA THR A 26 -3.732 -16.452 15.752 1.00 10.00 H new ATOM 0 HB THR A 26 -3.851 -14.465 13.500 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.590 -13.676 16.096 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.191 -14.184 14.282 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.845 -15.869 13.826 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.906 -15.406 15.544 1.00 10.00 H new ATOM 371 N GLN A 27 -2.966 -18.289 14.127 1.00 10.00 N ATOM 372 CA GLN A 27 -2.842 -19.380 13.173 1.00 10.00 C ATOM 373 C GLN A 27 -4.119 -19.551 12.336 1.00 10.00 C ATOM 374 O GLN A 27 -5.216 -19.206 12.791 1.00 10.00 O ATOM 375 CB GLN A 27 -2.534 -20.681 13.936 1.00 10.00 C ATOM 376 CG GLN A 27 -3.581 -21.010 15.016 1.00 10.00 C ATOM 377 CD GLN A 27 -3.718 -22.513 15.226 1.00 10.00 C ATOM 378 OE1 GLN A 27 -3.240 -23.054 16.218 1.00 10.00 O ATOM 379 NE2 GLN A 27 -4.375 -23.204 14.298 1.00 10.00 N ATOM 0 H GLN A 27 -2.812 -18.569 15.096 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.030 -19.146 12.485 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.480 -21.507 13.227 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.553 -20.598 14.403 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.297 -20.535 15.955 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.546 -20.593 14.727 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -4.761 -22.726 13.484 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -4.493 -24.212 14.401 1.00 10.00 H new ATOM 388 N PRO A 28 -4.012 -20.124 11.125 1.00 10.00 N ATOM 389 CA PRO A 28 -5.184 -20.424 10.329 1.00 10.00 C ATOM 390 C PRO A 28 -6.045 -21.404 11.118 1.00 10.00 C ATOM 391 O PRO A 28 -5.523 -22.185 11.918 1.00 10.00 O ATOM 392 CB PRO A 28 -4.670 -21.098 9.066 1.00 10.00 C ATOM 393 CG PRO A 28 -3.332 -21.692 9.498 1.00 10.00 C ATOM 394 CD PRO A 28 -2.818 -20.626 10.462 1.00 10.00 C ATOM 0 HA PRO A 28 -5.772 -19.538 10.090 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.356 -21.868 8.715 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.548 -20.384 8.251 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.452 -22.660 9.984 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.658 -21.840 8.654 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.114 -21.047 11.179 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.295 -19.830 9.931 1.00 10.00 H new ATOM 402 N GLN A 29 -7.353 -21.390 10.882 1.00 10.00 N ATOM 403 CA GLN A 29 -8.228 -22.320 11.569 1.00 10.00 C ATOM 404 C GLN A 29 -8.306 -23.581 10.712 1.00 10.00 C ATOM 405 O GLN A 29 -8.706 -23.510 9.552 1.00 10.00 O ATOM 406 CB GLN A 29 -9.583 -21.654 11.827 1.00 10.00 C ATOM 407 CG GLN A 29 -9.425 -20.353 12.633 1.00 10.00 C ATOM 408 CD GLN A 29 -8.753 -20.571 13.987 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.392 -21.048 14.918 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.473 -20.234 14.135 1.00 10.00 N ATOM 0 H GLN A 29 -7.819 -20.756 10.233 1.00 10.00 H new ATOM 0 HA GLN A 29 -7.851 -22.604 12.552 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.071 -21.438 10.876 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.231 -22.343 12.369 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -8.839 -19.641 12.052 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.407 -19.906 12.788 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.956 -19.838 13.350 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.010 -20.372 15.033 1.00 10.00 H new ATOM 419 N THR A 30 -7.877 -24.725 11.246 1.00 10.00 N ATOM 420 CA THR A 30 -7.888 -25.998 10.546 1.00 10.00 C ATOM 421 C THR A 30 -9.279 -26.231 9.952 1.00 10.00 C ATOM 422 O THR A 30 -10.257 -26.215 10.696 1.00 10.00 O ATOM 423 CB THR A 30 -7.572 -27.082 11.585 1.00 10.00 C ATOM 424 OG1 THR A 30 -6.491 -26.641 12.386 1.00 10.00 O ATOM 425 CG2 THR A 30 -7.228 -28.423 10.936 1.00 10.00 C ATOM 0 H THR A 30 -7.507 -24.788 12.194 1.00 10.00 H new ATOM 0 HA THR A 30 -7.158 -26.016 9.737 1.00 10.00 H new ATOM 0 HB THR A 30 -8.462 -27.242 12.194 1.00 10.00 H new ATOM 0 HG1 THR A 30 -6.280 -27.325 13.056 1.00 10.00 H new ATOM 0 HG21 THR A 30 -7.012 -29.158 11.712 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.072 -28.765 10.337 1.00 10.00 H new ATOM 0 HG23 THR A 30 -6.354 -28.304 10.296 1.00 10.00 H new ATOM 433 N CYS A 31 -9.392 -26.438 8.636 1.00 10.00 N ATOM 434 CA CYS A 31 -10.689 -26.654 8.014 1.00 10.00 C ATOM 435 C CYS A 31 -11.318 -27.922 8.603 1.00 10.00 C ATOM 436 O CYS A 31 -10.770 -29.009 8.410 1.00 10.00 O ATOM 437 CB CYS A 31 -10.539 -26.788 6.499 1.00 10.00 C ATOM 438 SG CYS A 31 -12.129 -26.945 5.638 1.00 10.00 S ATOM 0 H CYS A 31 -8.603 -26.459 7.990 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.335 -25.799 8.214 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.008 -25.917 6.114 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.924 -27.660 6.276 1.00 10.00 H new ATOM 0 HG CYS A 31 -11.935 -27.454 4.458 1.00 10.00 H new ATOM 443 N PRO A 32 -12.450 -27.824 9.317 1.00 10.00 N ATOM 444 CA PRO A 32 -13.059 -28.984 9.937 1.00 10.00 C ATOM 445 C PRO A 32 -13.672 -29.893 8.875 1.00 10.00 C ATOM 446 O PRO A 32 -13.612 -31.113 9.008 1.00 10.00 O ATOM 447 CB PRO A 32 -14.076 -28.419 10.926 1.00 10.00 C ATOM 448 CG PRO A 32 -14.510 -27.106 10.276 1.00 10.00 C ATOM 449 CD PRO A 32 -13.226 -26.622 9.601 1.00 10.00 C ATOM 0 HA PRO A 32 -12.345 -29.618 10.462 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -14.919 -29.096 11.066 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -13.633 -28.254 11.908 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.314 -27.258 9.555 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -14.874 -26.390 11.013 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.448 -26.074 8.685 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -12.673 -25.944 10.252 1.00 10.00 H new ATOM 457 N THR A 33 -14.230 -29.313 7.807 1.00 10.00 N ATOM 458 CA THR A 33 -14.857 -30.012 6.695 1.00 10.00 C ATOM 459 C THR A 33 -14.011 -31.179 6.174 1.00 10.00 C ATOM 460 O THR A 33 -14.557 -32.229 5.844 1.00 10.00 O ATOM 461 CB THR A 33 -15.127 -28.984 5.587 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.430 -27.733 6.180 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.275 -29.411 4.669 1.00 10.00 C ATOM 0 H THR A 33 -14.255 -28.299 7.695 1.00 10.00 H new ATOM 0 HA THR A 33 -15.789 -30.461 7.039 1.00 10.00 H new ATOM 0 HB THR A 33 -14.230 -28.909 4.972 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.628 -27.170 6.185 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.429 -28.652 3.901 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.028 -30.361 4.196 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.187 -29.524 5.255 1.00 10.00 H new ATOM 471 N CYS A 34 -12.686 -30.998 6.108 1.00 10.00 N ATOM 472 CA CYS A 34 -11.756 -32.031 5.659 1.00 10.00 C ATOM 473 C CYS A 34 -10.815 -32.471 6.784 1.00 10.00 C ATOM 474 O CYS A 34 -9.778 -33.077 6.513 1.00 10.00 O ATOM 475 CB CYS A 34 -10.965 -31.515 4.455 1.00 10.00 C ATOM 476 SG CYS A 34 -10.105 -29.944 4.688 1.00 10.00 S ATOM 0 H CYS A 34 -12.230 -30.123 6.367 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.330 -32.909 5.363 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.231 -32.271 4.177 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.650 -31.411 3.613 1.00 10.00 H new ATOM 0 HG CYS A 34 -10.954 -29.038 5.072 1.00 10.00 H new ATOM 481 N HIS A 35 -11.157 -32.158 8.039 1.00 10.00 N ATOM 482 CA HIS A 35 -10.357 -32.476 9.215 1.00 10.00 C ATOM 483 C HIS A 35 -8.890 -32.095 8.982 1.00 10.00 C ATOM 484 O HIS A 35 -7.989 -32.900 9.203 1.00 10.00 O ATOM 485 CB HIS A 35 -10.497 -33.965 9.578 1.00 10.00 C ATOM 486 CG HIS A 35 -11.904 -34.472 9.800 1.00 10.00 C ATOM 487 ND1 HIS A 35 -13.067 -33.734 9.807 1.00 10.00 N ATOM 488 CD2 HIS A 35 -12.249 -35.779 10.021 1.00 10.00 C ATOM 489 CE1 HIS A 35 -14.086 -34.580 10.023 1.00 10.00 C ATOM 490 NE2 HIS A 35 -13.639 -35.839 10.164 1.00 10.00 N ATOM 0 H HIS A 35 -12.020 -31.664 8.265 1.00 10.00 H new ATOM 0 HA HIS A 35 -10.726 -31.892 10.058 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -10.043 -34.555 8.782 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -9.919 -34.152 10.483 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -13.140 -32.726 9.672 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -11.568 -36.615 10.075 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -15.125 -34.288 10.076 1.00 10.00 H new ATOM 498 N GLY A 36 -8.635 -30.879 8.493 1.00 10.00 N ATOM 499 CA GLY A 36 -7.285 -30.414 8.202 1.00 10.00 C ATOM 500 C GLY A 36 -6.704 -31.011 6.916 1.00 10.00 C ATOM 501 O GLY A 36 -6.156 -30.272 6.109 1.00 10.00 O ATOM 0 H GLY A 36 -9.361 -30.192 8.289 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.292 -29.327 8.119 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -6.633 -30.666 9.038 1.00 10.00 H new ATOM 505 N SER A 37 -6.802 -32.331 6.729 1.00 10.00 N ATOM 506 CA SER A 37 -6.292 -33.117 5.605 1.00 10.00 C ATOM 507 C SER A 37 -6.234 -32.395 4.251 1.00 10.00 C ATOM 508 O SER A 37 -5.243 -32.508 3.536 1.00 10.00 O ATOM 509 CB SER A 37 -7.156 -34.371 5.456 1.00 10.00 C ATOM 510 OG SER A 37 -7.658 -34.810 6.703 1.00 10.00 O ATOM 0 H SER A 37 -7.276 -32.921 7.413 1.00 10.00 H new ATOM 0 HA SER A 37 -5.255 -33.340 5.855 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.987 -34.163 4.782 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.567 -35.167 5.000 1.00 10.00 H new ATOM 0 HG SER A 37 -8.506 -34.357 6.892 1.00 10.00 H new ATOM 516 N GLY A 38 -7.305 -31.679 3.892 1.00 10.00 N ATOM 517 CA GLY A 38 -7.403 -30.924 2.647 1.00 10.00 C ATOM 518 C GLY A 38 -8.278 -31.581 1.575 1.00 10.00 C ATOM 519 O GLY A 38 -8.355 -31.044 0.469 1.00 10.00 O ATOM 0 H GLY A 38 -8.141 -31.609 4.472 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.802 -29.934 2.867 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.401 -30.781 2.243 1.00 10.00 H new ATOM 523 N GLN A 39 -8.959 -32.700 1.867 1.00 10.00 N ATOM 524 CA GLN A 39 -9.820 -33.381 0.900 1.00 10.00 C ATOM 525 C GLN A 39 -11.201 -33.700 1.478 1.00 10.00 C ATOM 526 O GLN A 39 -11.342 -33.917 2.679 1.00 10.00 O ATOM 527 CB GLN A 39 -9.108 -34.618 0.321 1.00 10.00 C ATOM 528 CG GLN A 39 -9.303 -35.950 1.064 1.00 10.00 C ATOM 529 CD GLN A 39 -8.692 -36.011 2.462 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.523 -36.340 2.623 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.466 -35.688 3.494 1.00 10.00 N ATOM 0 H GLN A 39 -8.925 -33.154 2.780 1.00 10.00 H new ATOM 0 HA GLN A 39 -10.006 -32.698 0.071 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -9.445 -34.752 -0.707 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -8.040 -34.406 0.282 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -10.372 -36.150 1.143 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -8.872 -36.750 0.462 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -10.437 -35.417 3.338 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.089 -35.711 4.441 1.00 10.00 H new ATOM 540 N VAL A 40 -12.211 -33.772 0.615 1.00 10.00 N ATOM 541 CA VAL A 40 -13.583 -34.128 0.940 1.00 10.00 C ATOM 542 C VAL A 40 -13.935 -35.388 0.153 1.00 10.00 C ATOM 543 O VAL A 40 -13.290 -35.668 -0.859 1.00 10.00 O ATOM 544 CB VAL A 40 -14.539 -32.978 0.580 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.324 -31.789 1.519 1.00 10.00 C ATOM 546 CG2 VAL A 40 -14.390 -32.533 -0.883 1.00 10.00 C ATOM 0 H VAL A 40 -12.085 -33.573 -0.378 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.683 -34.312 2.010 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.554 -33.355 0.704 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -15.008 -30.985 1.250 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.514 -32.098 2.547 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.297 -31.436 1.430 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -15.086 -31.719 -1.088 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -13.370 -32.191 -1.057 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -14.609 -33.373 -1.543 1.00 10.00 H new ATOM 556 N GLN A 41 -14.956 -36.122 0.615 1.00 10.00 N ATOM 557 CA GLN A 41 -15.444 -37.329 -0.031 1.00 10.00 C ATOM 558 C GLN A 41 -16.858 -37.104 -0.559 1.00 10.00 C ATOM 559 O GLN A 41 -17.818 -37.113 0.211 1.00 10.00 O ATOM 560 CB GLN A 41 -15.368 -38.537 0.919 1.00 10.00 C ATOM 561 CG GLN A 41 -15.743 -39.844 0.192 1.00 10.00 C ATOM 562 CD GLN A 41 -15.642 -41.073 1.096 1.00 10.00 C ATOM 563 OE1 GLN A 41 -16.613 -41.806 1.277 1.00 10.00 O ATOM 564 NE2 GLN A 41 -14.466 -41.335 1.661 1.00 10.00 N ATOM 0 H GLN A 41 -15.469 -35.882 1.463 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.801 -37.558 -0.881 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -14.360 -38.620 1.325 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -16.040 -38.382 1.763 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -16.760 -39.763 -0.191 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -15.088 -39.977 -0.669 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -13.673 -40.715 1.499 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -14.358 -42.156 2.256 1.00 10.00 H new ATOM 573 N MET A 42 -16.997 -36.950 -1.877 1.00 10.00 N ATOM 574 CA MET A 42 -18.290 -36.874 -2.527 1.00 10.00 C ATOM 575 C MET A 42 -18.871 -38.291 -2.483 1.00 10.00 C ATOM 576 O MET A 42 -18.570 -39.124 -3.340 1.00 10.00 O ATOM 577 CB MET A 42 -18.138 -36.308 -3.946 1.00 10.00 C ATOM 578 CG MET A 42 -19.396 -36.445 -4.811 1.00 10.00 C ATOM 579 SD MET A 42 -20.973 -36.066 -4.005 1.00 10.00 S ATOM 580 CE MET A 42 -22.110 -36.393 -5.369 1.00 10.00 C ATOM 0 H MET A 42 -16.208 -36.875 -2.519 1.00 10.00 H new ATOM 0 HA MET A 42 -18.976 -36.191 -2.026 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.869 -35.254 -3.879 1.00 10.00 H new ATOM 0 HB3 MET A 42 -17.311 -36.817 -4.442 1.00 10.00 H new ATOM 0 HG2 MET A 42 -19.289 -35.791 -5.676 1.00 10.00 H new ATOM 0 HG3 MET A 42 -19.442 -37.467 -5.188 1.00 10.00 H new ATOM 0 HE1 MET A 42 -23.133 -36.208 -5.042 1.00 10.00 H new ATOM 0 HE2 MET A 42 -21.872 -35.737 -6.206 1.00 10.00 H new ATOM 0 HE3 MET A 42 -22.012 -37.432 -5.683 1.00 10.00 H new ATOM 590 N ARG A 43 -19.661 -38.540 -1.436 1.00 10.00 N ATOM 591 CA ARG A 43 -20.333 -39.783 -1.092 1.00 10.00 C ATOM 592 C ARG A 43 -21.742 -39.785 -1.685 1.00 10.00 C ATOM 593 O ARG A 43 -22.544 -38.918 -1.347 1.00 10.00 O ATOM 594 CB ARG A 43 -20.364 -39.867 0.448 1.00 10.00 C ATOM 595 CG ARG A 43 -21.362 -40.856 1.075 1.00 10.00 C ATOM 596 CD ARG A 43 -21.138 -42.322 0.700 1.00 10.00 C ATOM 597 NE ARG A 43 -19.800 -42.777 1.086 1.00 10.00 N ATOM 598 CZ ARG A 43 -19.320 -43.999 0.818 1.00 10.00 C ATOM 599 NH1 ARG A 43 -20.130 -44.961 0.358 1.00 10.00 N ATOM 600 NH2 ARG A 43 -18.013 -44.218 0.983 1.00 10.00 N ATOM 0 H ARG A 43 -19.860 -37.810 -0.752 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.812 -40.650 -1.498 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -19.364 -40.131 0.793 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.583 -38.873 0.837 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -21.312 -40.762 2.160 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -22.371 -40.570 0.777 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -21.889 -42.942 1.189 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -21.270 -42.448 -0.375 1.00 10.00 H new ATOM 0 HE ARG A 43 -19.198 -42.125 1.589 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -21.120 -44.766 0.209 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -19.757 -45.889 0.156 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -17.406 -43.464 1.306 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -17.621 -45.139 0.786 1.00 10.00 H new ATOM 614 N GLN A 44 -22.062 -40.768 -2.534 1.00 10.00 N ATOM 615 CA GLN A 44 -23.385 -40.948 -3.120 1.00 10.00 C ATOM 616 C GLN A 44 -23.964 -42.258 -2.585 1.00 10.00 C ATOM 617 O GLN A 44 -24.364 -43.153 -3.327 1.00 10.00 O ATOM 618 CB GLN A 44 -23.379 -40.813 -4.657 1.00 10.00 C ATOM 619 CG GLN A 44 -22.378 -41.681 -5.442 1.00 10.00 C ATOM 620 CD GLN A 44 -20.922 -41.206 -5.432 1.00 10.00 C ATOM 621 OE1 GLN A 44 -20.049 -41.898 -5.947 1.00 10.00 O ATOM 622 NE2 GLN A 44 -20.632 -40.037 -4.870 1.00 10.00 N ATOM 0 H GLN A 44 -21.390 -41.473 -2.836 1.00 10.00 H new ATOM 0 HA GLN A 44 -24.051 -40.141 -2.815 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -24.381 -41.044 -5.019 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -23.184 -39.769 -4.902 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -22.412 -42.693 -5.039 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -22.713 -41.739 -6.478 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -21.372 -39.477 -4.447 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -19.669 -39.700 -4.861 1.00 10.00 H new ATOM 631 N GLY A 45 -24.008 -42.349 -1.253 1.00 10.00 N ATOM 632 CA GLY A 45 -24.532 -43.484 -0.518 1.00 10.00 C ATOM 633 C GLY A 45 -23.666 -44.730 -0.682 1.00 10.00 C ATOM 634 O GLY A 45 -22.896 -45.072 0.212 1.00 10.00 O ATOM 0 H GLY A 45 -23.666 -41.605 -0.644 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -24.601 -43.229 0.539 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -25.544 -43.700 -0.860 1.00 10.00 H new ATOM 638 N PHE A 46 -23.791 -45.403 -1.826 1.00 10.00 N ATOM 639 CA PHE A 46 -23.070 -46.631 -2.125 1.00 10.00 C ATOM 640 C PHE A 46 -21.658 -46.302 -2.605 1.00 10.00 C ATOM 641 O PHE A 46 -20.684 -46.614 -1.920 1.00 10.00 O ATOM 642 CB PHE A 46 -23.873 -47.511 -3.102 1.00 10.00 C ATOM 643 CG PHE A 46 -24.478 -46.810 -4.309 1.00 10.00 C ATOM 644 CD1 PHE A 46 -25.683 -46.092 -4.181 1.00 10.00 C ATOM 645 CD2 PHE A 46 -23.878 -46.932 -5.576 1.00 10.00 C ATOM 646 CE1 PHE A 46 -26.213 -45.399 -5.281 1.00 10.00 C ATOM 647 CE2 PHE A 46 -24.423 -46.257 -6.683 1.00 10.00 C ATOM 648 CZ PHE A 46 -25.577 -45.471 -6.531 1.00 10.00 C ATOM 0 H PHE A 46 -24.407 -45.101 -2.581 1.00 10.00 H new ATOM 0 HA PHE A 46 -22.958 -47.226 -1.219 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -23.219 -48.305 -3.462 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -24.679 -47.989 -2.546 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -26.201 -46.074 -3.233 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -22.997 -47.545 -5.699 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -27.111 -44.810 -5.166 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -23.953 -46.343 -7.652 1.00 10.00 H new ATOM 0 HZ PHE A 46 -25.974 -44.924 -7.373 1.00 10.00 H new ATOM 658 N PHE A 47 -21.543 -45.660 -3.767 1.00 10.00 N ATOM 659 CA PHE A 47 -20.252 -45.250 -4.298 1.00 10.00 C ATOM 660 C PHE A 47 -19.848 -43.913 -3.681 1.00 10.00 C ATOM 661 O PHE A 47 -20.680 -43.183 -3.133 1.00 10.00 O ATOM 662 CB PHE A 47 -20.294 -45.150 -5.831 1.00 10.00 C ATOM 663 CG PHE A 47 -20.609 -46.421 -6.605 1.00 10.00 C ATOM 664 CD1 PHE A 47 -20.314 -47.698 -6.085 1.00 10.00 C ATOM 665 CD2 PHE A 47 -21.136 -46.309 -7.906 1.00 10.00 C ATOM 666 CE1 PHE A 47 -20.607 -48.851 -6.834 1.00 10.00 C ATOM 667 CE2 PHE A 47 -21.422 -47.462 -8.657 1.00 10.00 C ATOM 668 CZ PHE A 47 -21.170 -48.735 -8.117 1.00 10.00 C ATOM 0 H PHE A 47 -22.336 -45.413 -4.359 1.00 10.00 H new ATOM 0 HA PHE A 47 -19.509 -46.003 -4.037 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -21.037 -44.399 -6.100 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -19.327 -44.779 -6.171 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -19.862 -47.791 -5.109 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -21.321 -45.333 -8.329 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -20.399 -49.828 -6.423 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -21.836 -47.370 -9.650 1.00 10.00 H new ATOM 0 HZ PHE A 47 -21.408 -49.621 -8.686 1.00 10.00 H new ATOM 678 N ALA A 48 -18.561 -43.588 -3.793 1.00 10.00 N ATOM 679 CA ALA A 48 -18.009 -42.347 -3.298 1.00 10.00 C ATOM 680 C ALA A 48 -16.671 -42.095 -3.969 1.00 10.00 C ATOM 681 O ALA A 48 -16.001 -43.048 -4.365 1.00 10.00 O ATOM 682 CB ALA A 48 -17.813 -42.443 -1.791 1.00 10.00 C ATOM 0 H ALA A 48 -17.871 -44.193 -4.237 1.00 10.00 H new ATOM 0 HA ALA A 48 -18.691 -41.527 -3.521 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -17.397 -41.507 -1.418 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -18.773 -42.630 -1.310 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -17.128 -43.260 -1.564 1.00 10.00 H new ATOM 688 N VAL A 49 -16.277 -40.825 -4.062 1.00 10.00 N ATOM 689 CA VAL A 49 -14.987 -40.404 -4.590 1.00 10.00 C ATOM 690 C VAL A 49 -14.461 -39.295 -3.701 1.00 10.00 C ATOM 691 O VAL A 49 -15.212 -38.775 -2.881 1.00 10.00 O ATOM 692 CB VAL A 49 -15.071 -39.979 -6.061 1.00 10.00 C ATOM 693 CG1 VAL A 49 -15.351 -41.228 -6.888 1.00 10.00 C ATOM 694 CG2 VAL A 49 -16.121 -38.893 -6.318 1.00 10.00 C ATOM 0 H VAL A 49 -16.863 -40.045 -3.764 1.00 10.00 H new ATOM 0 HA VAL A 49 -14.293 -41.245 -4.578 1.00 10.00 H new ATOM 0 HB VAL A 49 -14.122 -39.527 -6.351 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -15.417 -40.959 -7.942 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -14.544 -41.947 -6.746 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -16.293 -41.673 -6.568 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -16.129 -38.638 -7.378 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -17.104 -39.261 -6.026 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -15.878 -38.006 -5.733 1.00 10.00 H new ATOM 704 N GLN A 50 -13.174 -38.969 -3.838 1.00 10.00 N ATOM 705 CA GLN A 50 -12.502 -37.985 -3.010 1.00 10.00 C ATOM 706 C GLN A 50 -11.883 -36.902 -3.869 1.00 10.00 C ATOM 707 O GLN A 50 -11.329 -37.201 -4.925 1.00 10.00 O ATOM 708 CB GLN A 50 -11.483 -38.698 -2.123 1.00 10.00 C ATOM 709 CG GLN A 50 -12.290 -39.451 -1.061 1.00 10.00 C ATOM 710 CD GLN A 50 -11.460 -40.127 0.018 1.00 10.00 C ATOM 711 OE1 GLN A 50 -11.900 -40.212 1.160 1.00 10.00 O ATOM 712 NE2 GLN A 50 -10.278 -40.630 -0.325 1.00 10.00 N ATOM 0 H GLN A 50 -12.567 -39.392 -4.540 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.218 -37.483 -2.359 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.873 -39.386 -2.708 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.803 -37.983 -1.660 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -12.977 -38.751 -0.585 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -12.898 -40.207 -1.557 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -9.945 -40.540 -1.285 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -9.705 -41.106 0.372 1.00 10.00 H new ATOM 721 N GLN A 51 -12.020 -35.646 -3.433 1.00 10.00 N ATOM 722 CA GLN A 51 -11.552 -34.492 -4.184 1.00 10.00 C ATOM 723 C GLN A 51 -11.037 -33.429 -3.217 1.00 10.00 C ATOM 724 O GLN A 51 -11.356 -33.456 -2.031 1.00 10.00 O ATOM 725 CB GLN A 51 -12.678 -33.912 -5.069 1.00 10.00 C ATOM 726 CG GLN A 51 -13.857 -34.857 -5.367 1.00 10.00 C ATOM 727 CD GLN A 51 -14.853 -34.917 -4.214 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.982 -35.934 -3.542 1.00 10.00 O ATOM 729 NE2 GLN A 51 -15.572 -33.826 -3.971 1.00 10.00 N ATOM 0 H GLN A 51 -12.461 -35.407 -2.545 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.741 -34.808 -4.840 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -13.069 -33.017 -4.585 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -12.242 -33.597 -6.017 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -14.369 -34.523 -6.270 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -13.476 -35.858 -5.568 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -15.445 -32.993 -4.546 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -16.251 -33.822 -3.210 1.00 10.00 H new ATOM 738 N THR A 52 -10.249 -32.488 -3.732 1.00 10.00 N ATOM 739 CA THR A 52 -9.692 -31.381 -2.978 1.00 10.00 C ATOM 740 C THR A 52 -10.801 -30.582 -2.282 1.00 10.00 C ATOM 741 O THR A 52 -11.830 -30.309 -2.897 1.00 10.00 O ATOM 742 CB THR A 52 -8.957 -30.500 -3.994 1.00 10.00 C ATOM 743 OG1 THR A 52 -8.203 -31.325 -4.862 1.00 10.00 O ATOM 744 CG2 THR A 52 -8.041 -29.496 -3.304 1.00 10.00 C ATOM 0 H THR A 52 -9.976 -32.480 -4.715 1.00 10.00 H new ATOM 0 HA THR A 52 -9.020 -31.737 -2.197 1.00 10.00 H new ATOM 0 HB THR A 52 -9.697 -29.936 -4.562 1.00 10.00 H new ATOM 0 HG1 THR A 52 -8.666 -31.405 -5.722 1.00 10.00 H new ATOM 0 HG21 THR A 52 -7.536 -28.888 -4.055 1.00 10.00 H new ATOM 0 HG22 THR A 52 -8.632 -28.852 -2.653 1.00 10.00 H new ATOM 0 HG23 THR A 52 -7.299 -30.029 -2.710 1.00 10.00 H new ATOM 752 N CYS A 53 -10.605 -30.188 -1.021 1.00 10.00 N ATOM 753 CA CYS A 53 -11.595 -29.402 -0.299 1.00 10.00 C ATOM 754 C CYS A 53 -11.635 -27.979 -0.870 1.00 10.00 C ATOM 755 O CYS A 53 -10.636 -27.266 -0.758 1.00 10.00 O ATOM 756 CB CYS A 53 -11.245 -29.355 1.190 1.00 10.00 C ATOM 757 SG CYS A 53 -12.496 -28.502 2.190 1.00 10.00 S ATOM 0 H CYS A 53 -9.766 -30.404 -0.482 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.574 -29.866 -0.415 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -11.125 -30.373 1.561 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.285 -28.854 1.316 1.00 10.00 H new ATOM 0 HG CYS A 53 -12.839 -27.394 1.603 1.00 10.00 H new ATOM 762 N PRO A 54 -12.753 -27.526 -1.464 1.00 10.00 N ATOM 763 CA PRO A 54 -12.831 -26.193 -2.035 1.00 10.00 C ATOM 764 C PRO A 54 -12.814 -25.122 -0.942 1.00 10.00 C ATOM 765 O PRO A 54 -12.178 -24.084 -1.112 1.00 10.00 O ATOM 766 CB PRO A 54 -14.126 -26.173 -2.849 1.00 10.00 C ATOM 767 CG PRO A 54 -15.014 -27.198 -2.142 1.00 10.00 C ATOM 768 CD PRO A 54 -14.011 -28.240 -1.643 1.00 10.00 C ATOM 0 HA PRO A 54 -11.972 -25.968 -2.667 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -14.582 -25.183 -2.852 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -13.949 -26.446 -3.889 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -15.572 -26.749 -1.320 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -15.745 -27.635 -2.822 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -14.344 -28.686 -0.706 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.901 -29.052 -2.361 1.00 10.00 H new ATOM 776 N HIS A 55 -13.503 -25.375 0.177 1.00 10.00 N ATOM 777 CA HIS A 55 -13.633 -24.453 1.304 1.00 10.00 C ATOM 778 C HIS A 55 -12.301 -23.818 1.722 1.00 10.00 C ATOM 779 O HIS A 55 -12.283 -22.655 2.121 1.00 10.00 O ATOM 780 CB HIS A 55 -14.303 -25.178 2.481 1.00 10.00 C ATOM 781 CG HIS A 55 -14.802 -24.271 3.582 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.475 -22.945 3.770 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.672 -24.623 4.578 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.134 -22.513 4.858 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.875 -23.501 5.387 1.00 10.00 N ATOM 0 H HIS A 55 -13.999 -26.254 0.324 1.00 10.00 H new ATOM 0 HA HIS A 55 -14.261 -23.623 0.981 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -15.142 -25.760 2.101 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.591 -25.885 2.907 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.846 -22.392 3.188 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -16.122 -25.595 4.715 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.076 -21.510 5.253 1.00 10.00 H new ATOM 793 N CYS A 56 -11.201 -24.574 1.634 1.00 10.00 N ATOM 794 CA CYS A 56 -9.860 -24.108 1.968 1.00 10.00 C ATOM 795 C CYS A 56 -8.895 -24.321 0.796 1.00 10.00 C ATOM 796 O CYS A 56 -7.691 -24.453 1.013 1.00 10.00 O ATOM 797 CB CYS A 56 -9.376 -24.828 3.230 1.00 10.00 C ATOM 798 SG CYS A 56 -9.402 -26.631 3.131 1.00 10.00 S ATOM 0 H CYS A 56 -11.224 -25.545 1.322 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.890 -23.036 2.164 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.358 -24.505 3.448 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.996 -24.515 4.070 1.00 10.00 H new ATOM 0 HG CYS A 56 -10.591 -27.030 2.787 1.00 10.00 H new ATOM 803 N GLN A 57 -9.415 -24.360 -0.437 1.00 10.00 N ATOM 804 CA GLN A 57 -8.649 -24.542 -1.669 1.00 10.00 C ATOM 805 C GLN A 57 -7.548 -25.603 -1.520 1.00 10.00 C ATOM 806 O GLN A 57 -6.411 -25.392 -1.933 1.00 10.00 O ATOM 807 CB GLN A 57 -8.076 -23.187 -2.119 1.00 10.00 C ATOM 808 CG GLN A 57 -9.150 -22.124 -2.394 1.00 10.00 C ATOM 809 CD GLN A 57 -9.963 -22.444 -3.645 1.00 10.00 C ATOM 810 OE1 GLN A 57 -9.538 -22.153 -4.756 1.00 10.00 O ATOM 811 NE2 GLN A 57 -11.139 -23.043 -3.487 1.00 10.00 N ATOM 0 H GLN A 57 -10.416 -24.262 -0.607 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.322 -24.917 -2.440 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -7.398 -22.816 -1.350 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -7.484 -23.335 -3.022 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -9.818 -22.053 -1.536 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.675 -21.150 -2.510 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -11.471 -23.275 -2.551 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.709 -23.270 -4.302 1.00 10.00 H new ATOM 820 N GLY A 58 -7.876 -26.748 -0.917 1.00 10.00 N ATOM 821 CA GLY A 58 -6.935 -27.845 -0.718 1.00 10.00 C ATOM 822 C GLY A 58 -5.809 -27.578 0.285 1.00 10.00 C ATOM 823 O GLY A 58 -5.067 -28.502 0.607 1.00 10.00 O ATOM 0 H GLY A 58 -8.809 -26.938 -0.552 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.492 -28.722 -0.387 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -6.488 -28.096 -1.680 1.00 10.00 H new ATOM 827 N ARG A 59 -5.662 -26.353 0.799 1.00 10.00 N ATOM 828 CA ARG A 59 -4.600 -26.021 1.741 1.00 10.00 C ATOM 829 C ARG A 59 -4.835 -26.699 3.091 1.00 10.00 C ATOM 830 O ARG A 59 -3.892 -26.944 3.839 1.00 10.00 O ATOM 831 CB ARG A 59 -4.525 -24.504 1.954 1.00 10.00 C ATOM 832 CG ARG A 59 -4.398 -23.688 0.662 1.00 10.00 C ATOM 833 CD ARG A 59 -4.474 -22.182 0.952 1.00 10.00 C ATOM 834 NE ARG A 59 -3.153 -21.560 1.119 1.00 10.00 N ATOM 835 CZ ARG A 59 -2.498 -21.357 2.271 1.00 10.00 C ATOM 836 NH1 ARG A 59 -2.861 -21.946 3.414 1.00 10.00 N ATOM 837 NH2 ARG A 59 -1.454 -20.527 2.291 1.00 10.00 N ATOM 0 H ARG A 59 -6.275 -25.570 0.572 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.661 -26.379 1.318 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.418 -24.180 2.488 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.672 -24.281 2.595 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -3.452 -23.920 0.173 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -5.192 -23.969 -0.029 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -5.002 -21.687 0.137 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -5.062 -22.021 1.856 1.00 10.00 H new ATOM 0 HE ARG A 59 -2.685 -21.250 0.268 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -3.663 -22.576 3.431 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -2.336 -21.765 4.270 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -1.162 -20.054 1.436 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -0.948 -20.365 3.162 1.00 10.00 H new ATOM 851 N GLY A 60 -6.106 -26.947 3.424 1.00 10.00 N ATOM 852 CA GLY A 60 -6.511 -27.543 4.692 1.00 10.00 C ATOM 853 C GLY A 60 -6.764 -26.490 5.775 1.00 10.00 C ATOM 854 O GLY A 60 -7.245 -26.814 6.860 1.00 10.00 O ATOM 0 H GLY A 60 -6.891 -26.734 2.808 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.416 -28.131 4.542 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.737 -28.231 5.031 1.00 10.00 H new ATOM 858 N THR A 61 -6.404 -25.233 5.504 1.00 10.00 N ATOM 859 CA THR A 61 -6.425 -24.121 6.436 1.00 10.00 C ATOM 860 C THR A 61 -7.404 -23.017 6.043 1.00 10.00 C ATOM 861 O THR A 61 -7.340 -22.527 4.916 1.00 10.00 O ATOM 862 CB THR A 61 -5.016 -23.527 6.367 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.675 -23.355 5.001 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.024 -24.441 7.088 1.00 10.00 C ATOM 0 H THR A 61 -6.074 -24.957 4.579 1.00 10.00 H new ATOM 0 HA THR A 61 -6.731 -24.480 7.419 1.00 10.00 H new ATOM 0 HB THR A 61 -4.981 -22.559 6.867 1.00 10.00 H new ATOM 0 HG1 THR A 61 -5.470 -23.082 4.497 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.025 -24.009 7.033 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.317 -24.544 8.133 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.022 -25.422 6.613 1.00 10.00 H new ATOM 872 N LEU A 62 -8.223 -22.567 6.994 1.00 10.00 N ATOM 873 CA LEU A 62 -9.120 -21.436 6.833 1.00 10.00 C ATOM 874 C LEU A 62 -8.410 -20.198 7.377 1.00 10.00 C ATOM 875 O LEU A 62 -8.347 -19.960 8.587 1.00 10.00 O ATOM 876 CB LEU A 62 -10.460 -21.663 7.545 1.00 10.00 C ATOM 877 CG LEU A 62 -11.246 -22.862 6.998 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.487 -23.083 7.870 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.694 -22.638 5.550 1.00 10.00 C ATOM 0 H LEU A 62 -8.278 -22.994 7.919 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.357 -21.304 5.777 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.277 -21.813 8.609 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.070 -20.765 7.450 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.591 -23.733 7.020 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.053 -23.933 7.489 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.180 -23.282 8.897 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.113 -22.191 7.845 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.247 -23.510 5.201 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.335 -21.758 5.499 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.819 -22.486 4.918 1.00 10.00 H new ATOM 891 N ILE A 63 -7.867 -19.407 6.452 1.00 10.00 N ATOM 892 CA ILE A 63 -7.181 -18.157 6.727 1.00 10.00 C ATOM 893 C ILE A 63 -8.262 -17.083 6.862 1.00 10.00 C ATOM 894 O ILE A 63 -8.452 -16.235 5.996 1.00 10.00 O ATOM 895 CB ILE A 63 -6.127 -17.930 5.627 1.00 10.00 C ATOM 896 CG1 ILE A 63 -4.997 -18.946 5.866 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.529 -16.518 5.642 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.212 -19.260 4.597 1.00 10.00 C ATOM 0 H ILE A 63 -7.897 -19.632 5.458 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.616 -18.144 7.659 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.612 -18.054 4.659 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -4.316 -18.555 6.622 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.421 -19.868 6.264 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.794 -16.426 4.842 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.322 -15.785 5.492 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.045 -16.338 6.602 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.427 -19.982 4.824 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.884 -19.678 3.847 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -3.763 -18.345 4.211 1.00 10.00 H new ATOM 910 N LYS A 64 -9.005 -17.151 7.970 1.00 10.00 N ATOM 911 CA LYS A 64 -10.084 -16.211 8.251 1.00 10.00 C ATOM 912 C LYS A 64 -9.571 -14.767 8.374 1.00 10.00 C ATOM 913 O LYS A 64 -10.333 -13.820 8.192 1.00 10.00 O ATOM 914 CB LYS A 64 -10.856 -16.642 9.507 1.00 10.00 C ATOM 915 CG LYS A 64 -9.994 -16.681 10.779 1.00 10.00 C ATOM 916 CD LYS A 64 -10.820 -17.058 12.019 1.00 10.00 C ATOM 917 CE LYS A 64 -11.899 -16.032 12.397 1.00 10.00 C ATOM 918 NZ LYS A 64 -11.345 -14.676 12.569 1.00 10.00 N ATOM 0 H LYS A 64 -8.873 -17.858 8.693 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.770 -16.228 7.404 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -11.689 -15.956 9.664 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -11.284 -17.630 9.338 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.186 -17.401 10.648 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -9.531 -15.707 10.934 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -11.298 -18.022 11.843 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -10.145 -17.186 12.865 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.667 -16.013 11.623 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -12.386 -16.343 13.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -12.074 -14.051 12.969 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -10.529 -14.713 13.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -11.041 -14.306 11.646 1.00 10.00 H new ATOM 932 N ASP A 65 -8.289 -14.607 8.720 1.00 10.00 N ATOM 933 CA ASP A 65 -7.596 -13.344 8.956 1.00 10.00 C ATOM 934 C ASP A 65 -6.343 -13.225 8.062 1.00 10.00 C ATOM 935 O ASP A 65 -5.224 -13.401 8.551 1.00 10.00 O ATOM 936 CB ASP A 65 -7.255 -13.275 10.455 1.00 10.00 C ATOM 937 CG ASP A 65 -6.402 -14.449 10.953 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.826 -15.608 10.746 1.00 10.00 O ATOM 939 OD2 ASP A 65 -5.343 -14.167 11.548 1.00 10.00 O ATOM 0 H ASP A 65 -7.672 -15.409 8.850 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.231 -12.499 8.691 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.725 -12.343 10.655 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.182 -13.244 11.027 1.00 10.00 H new ATOM 944 N PRO A 66 -6.510 -12.943 6.758 1.00 10.00 N ATOM 945 CA PRO A 66 -5.422 -12.864 5.790 1.00 10.00 C ATOM 946 C PRO A 66 -4.268 -11.921 6.142 1.00 10.00 C ATOM 947 O PRO A 66 -4.472 -10.756 6.483 1.00 10.00 O ATOM 948 CB PRO A 66 -6.068 -12.410 4.475 1.00 10.00 C ATOM 949 CG PRO A 66 -7.506 -12.901 4.596 1.00 10.00 C ATOM 950 CD PRO A 66 -7.784 -12.729 6.087 1.00 10.00 C ATOM 0 HA PRO A 66 -4.949 -13.845 5.749 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.022 -11.327 4.358 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -5.567 -12.845 3.610 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.190 -12.312 3.984 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.609 -13.939 4.280 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.175 -11.734 6.299 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.531 -13.445 6.430 1.00 10.00 H new ATOM 958 N CYS A 67 -3.038 -12.413 5.978 1.00 10.00 N ATOM 959 CA CYS A 67 -1.822 -11.636 6.127 1.00 10.00 C ATOM 960 C CYS A 67 -1.693 -10.736 4.897 1.00 10.00 C ATOM 961 O CYS A 67 -1.096 -11.126 3.889 1.00 10.00 O ATOM 962 CB CYS A 67 -0.623 -12.577 6.257 1.00 10.00 C ATOM 963 SG CYS A 67 0.994 -11.758 6.407 1.00 10.00 S ATOM 0 H CYS A 67 -2.864 -13.387 5.732 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.855 -11.021 7.026 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.773 -13.212 7.130 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.600 -13.233 5.387 1.00 10.00 H new ATOM 0 HG CYS A 67 1.928 -12.657 6.512 1.00 10.00 H new ATOM 968 N ASN A 68 -2.286 -9.543 4.989 1.00 10.00 N ATOM 969 CA ASN A 68 -2.306 -8.508 3.957 1.00 10.00 C ATOM 970 C ASN A 68 -0.991 -8.418 3.174 1.00 10.00 C ATOM 971 O ASN A 68 -1.023 -8.395 1.944 1.00 10.00 O ATOM 972 CB ASN A 68 -2.699 -7.148 4.562 1.00 10.00 C ATOM 973 CG ASN A 68 -1.667 -6.572 5.535 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.900 -7.304 6.156 1.00 10.00 O ATOM 975 ND2 ASN A 68 -1.631 -5.251 5.675 1.00 10.00 N ATOM 0 H ASN A 68 -2.791 -9.260 5.829 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.066 -8.797 3.231 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.856 -6.435 3.753 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -3.651 -7.256 5.082 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -0.956 -4.824 6.309 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.278 -4.665 5.148 1.00 10.00 H new ATOM 982 N LYS A 69 0.149 -8.389 3.876 1.00 10.00 N ATOM 983 CA LYS A 69 1.493 -8.317 3.309 1.00 10.00 C ATOM 984 C LYS A 69 1.671 -9.251 2.107 1.00 10.00 C ATOM 985 O LYS A 69 2.258 -8.855 1.103 1.00 10.00 O ATOM 986 CB LYS A 69 2.532 -8.631 4.397 1.00 10.00 C ATOM 987 CG LYS A 69 3.959 -8.375 3.888 1.00 10.00 C ATOM 988 CD LYS A 69 5.002 -8.714 4.957 1.00 10.00 C ATOM 989 CE LYS A 69 6.409 -8.455 4.403 1.00 10.00 C ATOM 990 NZ LYS A 69 7.454 -8.781 5.389 1.00 10.00 N ATOM 0 H LYS A 69 0.156 -8.416 4.896 1.00 10.00 H new ATOM 0 HA LYS A 69 1.644 -7.302 2.942 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.340 -8.016 5.276 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.434 -9.671 4.708 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.142 -8.974 2.996 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.061 -7.330 3.596 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.834 -8.109 5.848 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.905 -9.757 5.257 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.560 -9.050 3.503 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.498 -7.408 4.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.390 -8.593 4.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.325 -8.195 6.238 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.385 -9.786 5.648 1.00 10.00 H new ATOM 1004 N CYS A 70 1.172 -10.486 2.215 1.00 10.00 N ATOM 1005 CA CYS A 70 1.268 -11.494 1.163 1.00 10.00 C ATOM 1006 C CYS A 70 -0.123 -11.883 0.663 1.00 10.00 C ATOM 1007 O CYS A 70 -0.309 -12.982 0.142 1.00 10.00 O ATOM 1008 CB CYS A 70 2.002 -12.714 1.724 1.00 10.00 C ATOM 1009 SG CYS A 70 1.162 -13.503 3.117 1.00 10.00 S ATOM 0 H CYS A 70 0.684 -10.815 3.048 1.00 10.00 H new ATOM 0 HA CYS A 70 1.822 -11.091 0.315 1.00 10.00 H new ATOM 0 HB2 CYS A 70 2.128 -13.447 0.927 1.00 10.00 H new ATOM 0 HB3 CYS A 70 3.000 -12.411 2.040 1.00 10.00 H new ATOM 0 HG CYS A 70 1.205 -12.717 4.151 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.113 -11.007 0.864 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.509 -11.230 0.506 1.00 10.00 C ATOM 1016 C HIS A 71 -2.963 -12.618 0.978 1.00 10.00 C ATOM 1017 O HIS A 71 -3.652 -13.342 0.262 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.703 -11.018 -1.003 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.301 -9.654 -1.514 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.812 -8.595 -0.777 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.345 -9.252 -2.823 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.568 -7.585 -1.628 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -1.880 -7.936 -2.887 1.00 10.00 N ATOM 0 H HIS A 71 -0.955 -10.096 1.294 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.143 -10.503 1.014 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.127 -11.774 -1.538 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -3.752 -11.186 -1.246 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.663 -8.582 0.232 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -2.680 -9.848 -3.659 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -1.174 -6.622 -1.340 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.540 -13.002 2.185 1.00 10.00 N ATOM 1032 CA GLY A 72 -2.855 -14.287 2.789 1.00 10.00 C ATOM 1033 C GLY A 72 -2.389 -15.524 2.012 1.00 10.00 C ATOM 1034 O GLY A 72 -2.767 -16.633 2.379 1.00 10.00 O ATOM 0 H GLY A 72 -1.957 -12.411 2.778 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.411 -14.318 3.784 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.935 -14.350 2.920 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.558 -15.382 0.972 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.046 -16.528 0.219 1.00 10.00 C ATOM 1040 C HIS A 73 -0.103 -17.342 1.113 1.00 10.00 C ATOM 1041 O HIS A 73 -0.069 -18.572 1.066 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.314 -16.048 -1.039 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.190 -15.365 -2.063 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.358 -14.669 -1.831 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -0.944 -15.306 -3.409 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -2.801 -14.210 -3.012 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -1.973 -14.572 -4.006 1.00 10.00 N ATOM 0 H HIS A 73 -1.226 -14.479 0.633 1.00 10.00 H new ATOM 0 HA HIS A 73 -1.878 -17.161 -0.091 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.476 -15.359 -0.741 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.170 -16.904 -1.509 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -2.805 -14.528 -0.925 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.102 -15.749 -3.920 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -3.701 -13.628 -3.145 1.00 10.00 H new ATOM 1055 N GLY A 74 0.659 -16.616 1.931 1.00 10.00 N ATOM 1056 CA GLY A 74 1.606 -17.123 2.909 1.00 10.00 C ATOM 1057 C GLY A 74 3.035 -17.227 2.378 1.00 10.00 C ATOM 1058 O GLY A 74 3.905 -17.767 3.057 1.00 10.00 O ATOM 0 H GLY A 74 0.625 -15.597 1.923 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.598 -16.471 3.782 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.279 -18.107 3.243 1.00 10.00 H new ATOM 1062 N ARG A 75 3.302 -16.667 1.197 1.00 10.00 N ATOM 1063 CA ARG A 75 4.621 -16.646 0.586 1.00 10.00 C ATOM 1064 C ARG A 75 4.761 -15.365 -0.229 1.00 10.00 C ATOM 1065 O ARG A 75 3.753 -14.789 -0.636 1.00 10.00 O ATOM 1066 CB ARG A 75 4.866 -17.920 -0.236 1.00 10.00 C ATOM 1067 CG ARG A 75 3.763 -18.246 -1.257 1.00 10.00 C ATOM 1068 CD ARG A 75 3.185 -19.655 -1.058 1.00 10.00 C ATOM 1069 NE ARG A 75 2.368 -19.744 0.162 1.00 10.00 N ATOM 1070 CZ ARG A 75 2.687 -20.331 1.325 1.00 10.00 C ATOM 1071 NH1 ARG A 75 3.869 -20.921 1.527 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.788 -20.299 2.309 1.00 10.00 N ATOM 0 H ARG A 75 2.589 -16.207 0.631 1.00 10.00 H new ATOM 0 HA ARG A 75 5.396 -16.642 1.353 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.814 -17.819 -0.765 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.971 -18.763 0.447 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.962 -17.511 -1.171 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.167 -18.160 -2.266 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.578 -19.924 -1.922 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.999 -20.377 -1.003 1.00 10.00 H new ATOM 0 HE ARG A 75 1.448 -19.306 0.118 1.00 10.00 H new ATOM 0 HH11 ARG A 75 4.566 -20.935 0.782 1.00 10.00 H new ATOM 0 HH12 ARG A 75 4.074 -21.357 2.426 1.00 10.00 H new ATOM 0 HH21 ARG A 75 0.890 -19.838 2.164 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.998 -20.736 3.206 1.00 10.00 H new ATOM 1086 N VAL A 76 6.002 -14.918 -0.436 1.00 10.00 N ATOM 1087 CA VAL A 76 6.349 -13.707 -1.165 1.00 10.00 C ATOM 1088 C VAL A 76 7.471 -14.040 -2.147 1.00 10.00 C ATOM 1089 O VAL A 76 8.238 -14.972 -1.907 1.00 10.00 O ATOM 1090 CB VAL A 76 6.764 -12.590 -0.189 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.581 -12.168 0.691 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.945 -12.989 0.708 1.00 10.00 C ATOM 0 H VAL A 76 6.821 -15.413 -0.084 1.00 10.00 H new ATOM 0 HA VAL A 76 5.485 -13.340 -1.720 1.00 10.00 H new ATOM 0 HB VAL A 76 7.085 -11.752 -0.808 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.898 -11.378 1.372 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.771 -11.800 0.060 1.00 10.00 H new ATOM 0 HG13 VAL A 76 5.232 -13.025 1.267 1.00 10.00 H new ATOM 0 HG21 VAL A 76 8.192 -12.162 1.374 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.673 -13.863 1.300 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.809 -13.226 0.088 1.00 10.00 H new ATOM 1102 N GLU A 77 7.557 -13.302 -3.258 1.00 10.00 N ATOM 1103 CA GLU A 77 8.570 -13.527 -4.279 1.00 10.00 C ATOM 1104 C GLU A 77 9.965 -13.272 -3.703 1.00 10.00 C ATOM 1105 O GLU A 77 10.180 -12.286 -2.999 1.00 10.00 O ATOM 1106 CB GLU A 77 8.279 -12.644 -5.499 1.00 10.00 C ATOM 1107 CG GLU A 77 9.271 -12.873 -6.651 1.00 10.00 C ATOM 1108 CD GLU A 77 9.116 -11.817 -7.737 1.00 10.00 C ATOM 1109 OE1 GLU A 77 8.284 -12.041 -8.641 1.00 10.00 O ATOM 1110 OE2 GLU A 77 9.836 -10.797 -7.634 1.00 10.00 O ATOM 0 H GLU A 77 6.922 -12.532 -3.470 1.00 10.00 H new ATOM 0 HA GLU A 77 8.540 -14.566 -4.606 1.00 10.00 H new ATOM 0 HB2 GLU A 77 7.267 -12.842 -5.852 1.00 10.00 H new ATOM 0 HB3 GLU A 77 8.312 -11.596 -5.200 1.00 10.00 H new ATOM 0 HG2 GLU A 77 10.290 -12.853 -6.265 1.00 10.00 H new ATOM 0 HG3 GLU A 77 9.112 -13.863 -7.079 1.00 10.00 H new ATOM 1117 N ARG A 78 10.928 -14.132 -4.046 1.00 10.00 N ATOM 1118 CA ARG A 78 12.316 -13.978 -3.639 1.00 10.00 C ATOM 1119 C ARG A 78 12.965 -12.928 -4.547 1.00 10.00 C ATOM 1120 O ARG A 78 13.891 -13.229 -5.291 1.00 10.00 O ATOM 1121 CB ARG A 78 13.044 -15.334 -3.700 1.00 10.00 C ATOM 1122 CG ARG A 78 14.404 -15.271 -2.985 1.00 10.00 C ATOM 1123 CD ARG A 78 15.055 -16.652 -2.856 1.00 10.00 C ATOM 1124 NE ARG A 78 15.321 -17.243 -4.176 1.00 10.00 N ATOM 1125 CZ ARG A 78 14.659 -18.259 -4.750 1.00 10.00 C ATOM 1126 NH1 ARG A 78 13.655 -18.885 -4.122 1.00 10.00 N ATOM 1127 NH2 ARG A 78 14.997 -18.615 -5.994 1.00 10.00 N ATOM 0 H ARG A 78 10.759 -14.959 -4.618 1.00 10.00 H new ATOM 0 HA ARG A 78 12.382 -13.637 -2.606 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.424 -16.103 -3.239 1.00 10.00 H new ATOM 0 HB3 ARG A 78 13.191 -15.624 -4.740 1.00 10.00 H new ATOM 0 HG2 ARG A 78 15.071 -14.607 -3.535 1.00 10.00 H new ATOM 0 HG3 ARG A 78 14.271 -14.840 -1.993 1.00 10.00 H new ATOM 0 HD2 ARG A 78 15.988 -16.566 -2.299 1.00 10.00 H new ATOM 0 HD3 ARG A 78 14.402 -17.312 -2.285 1.00 10.00 H new ATOM 0 HE ARG A 78 16.089 -16.838 -4.711 1.00 10.00 H new ATOM 0 HH11 ARG A 78 13.378 -18.592 -3.185 1.00 10.00 H new ATOM 0 HH12 ARG A 78 13.168 -19.655 -4.581 1.00 10.00 H new ATOM 0 HH21 ARG A 78 15.742 -18.118 -6.482 1.00 10.00 H new ATOM 0 HH22 ARG A 78 14.510 -19.384 -6.454 1.00 10.00 H new ATOM 1141 N SER A 79 12.459 -11.693 -4.527 1.00 10.00 N ATOM 1142 CA SER A 79 12.962 -10.621 -5.371 1.00 10.00 C ATOM 1143 C SER A 79 14.429 -10.323 -5.046 1.00 10.00 C ATOM 1144 O SER A 79 15.332 -10.647 -5.818 1.00 10.00 O ATOM 1145 CB SER A 79 12.076 -9.387 -5.180 1.00 10.00 C ATOM 1146 OG SER A 79 10.715 -9.769 -5.242 1.00 10.00 O ATOM 0 H SER A 79 11.687 -11.413 -3.922 1.00 10.00 H new ATOM 0 HA SER A 79 12.924 -10.922 -6.418 1.00 10.00 H new ATOM 0 HB2 SER A 79 12.290 -8.918 -4.220 1.00 10.00 H new ATOM 0 HB3 SER A 79 12.293 -8.648 -5.951 1.00 10.00 H new ATOM 0 HG SER A 79 10.517 -10.132 -6.130 1.00 10.00 H new