USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=24 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 68 ASN : amide:sc= 0.583 K(o=0.98,f=-0.17) USER MOD Set 1.2: A 71 HIS : no HE2:sc= 0.398 K(o=0.98,f=-1.1) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.777 K(o=1.7,f=-0.53) USER MOD Set 2.2: A 50 GLN : amide:sc= 0.884 K(o=1.7,f=0) USER MOD Set 3.1: A 37 SER OG : rot -76:sc= 2.13 USER MOD Set 3.2: A 39 GLN : amide:sc= 0.245 K(o=2.4,f=-1.6!) USER MOD Set 4.1: A 31 CYS SG : rot 177:sc= 0.698 USER MOD Set 4.2: A 33 THR OG1 : rot 99:sc= 0.462 USER MOD Set 4.3: A 34 CYS SG : rot -56:sc= 0.304 USER MOD Set 4.4: A 53 CYS SG : rot 170:sc= 0.411 USER MOD Set 4.5: A 56 CYS SG : rot -55:sc= 0.285 USER MOD Set 5.1: A 23 LYS NZ :NH3+ -174:sc= 1.1 (180deg=-0.0475) USER MOD Set 5.2: A 26 THR OG1 : rot 65:sc= 1.57 USER MOD Set 6.1: A 14 CYS SG : rot -139:sc= 0.0987 USER MOD Set 6.2: A 17 CYS SG : rot -141:sc= -0.974 USER MOD Set 6.3: A 67 CYS SG : rot 110:sc= 0.503 USER MOD Set 6.4: A 70 CYS SG : rot -56:sc= 0.633 USER MOD Single : A 18 HIS : no HE2:sc= 0.759 K(o=0.76,f=-3.3!) USER MOD Single : A 20 SER OG : rot -55: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 K(o=0,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 35 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.06 K(o=1.1,f=-0.77) USER MOD Single : A 51 GLN : amide:sc= -0.494 K(o=-0.49,f=-3.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00898 USER MOD Single : A 55 HIS : no HE2:sc= 0.594 K(o=0.59,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= 1.49 K(o=1.5,f=-9.2!) USER MOD Single : A 61 THR OG1 : rot -67:sc= 0.753 USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= 0.503 (180deg=-0.136) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.301) USER MOD Single : A 73 HIS : no HE2:sc= 0.716 K(o=0.72,f=-3.3!) USER MOD Single : A 79 SER OG : rot 64:sc= 0.692 USER MOD ----------------------------------------------------------------- ATOM 165 N LEU A 11 9.730 -18.713 -4.857 1.00 10.00 N ATOM 166 CA LEU A 11 8.735 -18.512 -3.818 1.00 10.00 C ATOM 167 C LEU A 11 9.383 -18.702 -2.446 1.00 10.00 C ATOM 168 O LEU A 11 10.326 -19.480 -2.307 1.00 10.00 O ATOM 169 CB LEU A 11 7.546 -19.464 -4.007 1.00 10.00 C ATOM 170 CG LEU A 11 6.845 -19.309 -5.367 1.00 10.00 C ATOM 171 CD1 LEU A 11 5.601 -20.204 -5.391 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.437 -17.856 -5.639 1.00 10.00 C ATOM 0 HA LEU A 11 8.350 -17.495 -3.886 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.894 -20.492 -3.902 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.821 -19.289 -3.212 1.00 10.00 H new ATOM 0 HG LEU A 11 7.547 -19.605 -6.147 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.097 -20.101 -6.352 1.00 10.00 H new ATOM 0 HD12 LEU A 11 5.897 -21.243 -5.246 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.923 -19.906 -4.592 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.945 -17.792 -6.610 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.751 -17.519 -4.862 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.324 -17.223 -5.639 1.00 10.00 H new ATOM 184 N GLU A 12 8.873 -17.987 -1.442 1.00 10.00 N ATOM 185 CA GLU A 12 9.337 -18.019 -0.065 1.00 10.00 C ATOM 186 C GLU A 12 8.104 -17.982 0.835 1.00 10.00 C ATOM 187 O GLU A 12 7.081 -17.416 0.449 1.00 10.00 O ATOM 188 CB GLU A 12 10.235 -16.806 0.215 1.00 10.00 C ATOM 189 CG GLU A 12 11.453 -16.752 -0.719 1.00 10.00 C ATOM 190 CD GLU A 12 12.357 -15.568 -0.392 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.850 -14.428 -0.475 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.539 -15.820 -0.077 1.00 10.00 O ATOM 0 H GLU A 12 8.093 -17.344 -1.578 1.00 10.00 H new ATOM 0 HA GLU A 12 9.920 -18.920 0.124 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.652 -15.892 0.101 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.575 -16.840 1.250 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.020 -17.679 -0.633 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.117 -16.679 -1.753 1.00 10.00 H new ATOM 199 N GLU A 13 8.194 -18.576 2.025 1.00 10.00 N ATOM 200 CA GLU A 13 7.101 -18.601 2.982 1.00 10.00 C ATOM 201 C GLU A 13 7.037 -17.263 3.723 1.00 10.00 C ATOM 202 O GLU A 13 8.068 -16.727 4.127 1.00 10.00 O ATOM 203 CB GLU A 13 7.253 -19.802 3.934 1.00 10.00 C ATOM 204 CG GLU A 13 8.235 -19.631 5.110 1.00 10.00 C ATOM 205 CD GLU A 13 9.673 -19.316 4.703 1.00 10.00 C ATOM 206 OE1 GLU A 13 10.081 -19.778 3.614 1.00 10.00 O ATOM 207 OE2 GLU A 13 10.346 -18.626 5.499 1.00 10.00 O ATOM 0 H GLU A 13 9.035 -19.055 2.349 1.00 10.00 H new ATOM 0 HA GLU A 13 6.152 -18.732 2.462 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.271 -20.039 4.342 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.571 -20.664 3.347 1.00 10.00 H new ATOM 0 HG2 GLU A 13 7.871 -18.831 5.755 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.232 -20.545 5.703 1.00 10.00 H new ATOM 214 N CYS A 14 5.839 -16.715 3.926 1.00 10.00 N ATOM 215 CA CYS A 14 5.696 -15.474 4.663 1.00 10.00 C ATOM 216 C CYS A 14 5.858 -15.775 6.157 1.00 10.00 C ATOM 217 O CYS A 14 4.886 -16.064 6.858 1.00 10.00 O ATOM 218 CB CYS A 14 4.340 -14.852 4.349 1.00 10.00 C ATOM 219 SG CYS A 14 4.057 -13.229 5.093 1.00 10.00 S ATOM 0 H CYS A 14 4.962 -17.113 3.590 1.00 10.00 H new ATOM 0 HA CYS A 14 6.461 -14.755 4.372 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.239 -14.762 3.267 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.558 -15.532 4.687 1.00 10.00 H new ATOM 0 HG CYS A 14 2.834 -13.159 5.529 1.00 10.00 H new ATOM 224 N ASP A 15 7.103 -15.717 6.637 1.00 10.00 N ATOM 225 CA ASP A 15 7.501 -15.970 8.020 1.00 10.00 C ATOM 226 C ASP A 15 6.561 -15.294 9.025 1.00 10.00 C ATOM 227 O ASP A 15 6.210 -15.889 10.043 1.00 10.00 O ATOM 228 CB ASP A 15 8.957 -15.535 8.242 1.00 10.00 C ATOM 229 CG ASP A 15 9.132 -14.017 8.246 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.678 -13.387 7.265 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.690 -13.509 9.241 1.00 10.00 O ATOM 0 H ASP A 15 7.897 -15.481 6.042 1.00 10.00 H new ATOM 0 HA ASP A 15 7.426 -17.043 8.195 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.310 -15.939 9.191 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.582 -15.965 7.460 1.00 10.00 H new ATOM 236 N VAL A 16 6.130 -14.068 8.718 1.00 10.00 N ATOM 237 CA VAL A 16 5.204 -13.273 9.515 1.00 10.00 C ATOM 238 C VAL A 16 3.955 -14.078 9.913 1.00 10.00 C ATOM 239 O VAL A 16 3.514 -14.006 11.061 1.00 10.00 O ATOM 240 CB VAL A 16 4.857 -12.000 8.724 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.699 -11.222 9.347 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.077 -11.075 8.641 1.00 10.00 C ATOM 0 H VAL A 16 6.432 -13.586 7.871 1.00 10.00 H new ATOM 0 HA VAL A 16 5.676 -12.990 10.456 1.00 10.00 H new ATOM 0 HB VAL A 16 4.555 -12.327 7.729 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.495 -10.333 8.750 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.810 -11.852 9.375 1.00 10.00 H new ATOM 0 HG13 VAL A 16 3.965 -10.925 10.361 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.816 -10.179 8.078 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.390 -10.794 9.647 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.893 -11.594 8.139 1.00 10.00 H new ATOM 252 N CYS A 17 3.402 -14.859 8.978 1.00 10.00 N ATOM 253 CA CYS A 17 2.248 -15.726 9.219 1.00 10.00 C ATOM 254 C CYS A 17 2.678 -17.195 9.231 1.00 10.00 C ATOM 255 O CYS A 17 1.860 -18.094 9.036 1.00 10.00 O ATOM 256 CB CYS A 17 1.194 -15.489 8.147 1.00 10.00 C ATOM 257 SG CYS A 17 1.651 -15.785 6.437 1.00 10.00 S ATOM 0 H CYS A 17 3.750 -14.906 8.020 1.00 10.00 H new ATOM 0 HA CYS A 17 1.822 -15.487 10.193 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.336 -16.120 8.377 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.861 -14.455 8.229 1.00 10.00 H new ATOM 0 HG CYS A 17 1.110 -14.877 5.680 1.00 10.00 H new ATOM 262 N HIS A 18 3.975 -17.441 9.417 1.00 10.00 N ATOM 263 CA HIS A 18 4.582 -18.760 9.441 1.00 10.00 C ATOM 264 C HIS A 18 4.192 -19.541 8.184 1.00 10.00 C ATOM 265 O HIS A 18 3.968 -20.747 8.228 1.00 10.00 O ATOM 266 CB HIS A 18 4.206 -19.469 10.749 1.00 10.00 C ATOM 267 CG HIS A 18 4.395 -18.627 11.993 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.171 -17.492 12.112 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.732 -18.794 13.179 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.976 -16.995 13.345 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.109 -17.753 14.034 1.00 10.00 N ATOM 0 H HIS A 18 4.653 -16.693 9.560 1.00 10.00 H new ATOM 0 HA HIS A 18 5.669 -18.684 9.424 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.163 -19.782 10.692 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.806 -20.374 10.843 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.782 -17.101 11.394 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.040 -19.589 13.413 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.453 -16.106 13.730 1.00 10.00 H new ATOM 279 N GLY A 19 4.095 -18.833 7.053 1.00 10.00 N ATOM 280 CA GLY A 19 3.736 -19.416 5.773 1.00 10.00 C ATOM 281 C GLY A 19 2.268 -19.833 5.641 1.00 10.00 C ATOM 282 O GLY A 19 1.894 -20.326 4.580 1.00 10.00 O ATOM 0 H GLY A 19 4.267 -17.829 7.009 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.966 -18.698 4.986 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.363 -20.290 5.600 1.00 10.00 H new ATOM 286 N SER A 20 1.427 -19.665 6.671 1.00 10.00 N ATOM 287 CA SER A 20 0.037 -20.104 6.586 1.00 10.00 C ATOM 288 C SER A 20 -0.779 -19.182 5.682 1.00 10.00 C ATOM 289 O SER A 20 -1.274 -19.579 4.631 1.00 10.00 O ATOM 290 CB SER A 20 -0.590 -20.203 7.987 1.00 10.00 C ATOM 291 OG SER A 20 -0.690 -18.942 8.634 1.00 10.00 O ATOM 0 H SER A 20 1.685 -19.234 7.559 1.00 10.00 H new ATOM 0 HA SER A 20 0.025 -21.098 6.139 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.583 -20.645 7.906 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.008 -20.876 8.602 1.00 10.00 H new ATOM 0 HG SER A 20 0.193 -18.518 8.662 1.00 10.00 H new ATOM 297 N GLY A 21 -0.948 -17.951 6.156 1.00 10.00 N ATOM 298 CA GLY A 21 -1.754 -16.905 5.558 1.00 10.00 C ATOM 299 C GLY A 21 -2.528 -16.154 6.644 1.00 10.00 C ATOM 300 O GLY A 21 -2.992 -15.045 6.390 1.00 10.00 O ATOM 0 H GLY A 21 -0.497 -17.645 7.018 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.116 -16.212 5.009 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.449 -17.337 4.838 1.00 10.00 H new ATOM 304 N ALA A 22 -2.661 -16.729 7.850 1.00 10.00 N ATOM 305 CA ALA A 22 -3.332 -16.067 8.966 1.00 10.00 C ATOM 306 C ALA A 22 -2.523 -14.827 9.368 1.00 10.00 C ATOM 307 O ALA A 22 -1.336 -14.776 9.091 1.00 10.00 O ATOM 308 CB ALA A 22 -3.488 -17.051 10.122 1.00 10.00 C ATOM 0 H ALA A 22 -2.307 -17.660 8.072 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.331 -15.740 8.677 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.989 -16.557 10.955 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.082 -17.904 9.796 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.505 -17.395 10.442 1.00 10.00 H new ATOM 314 N LYS A 23 -3.132 -13.801 9.963 1.00 10.00 N ATOM 315 CA LYS A 23 -2.447 -12.541 10.258 1.00 10.00 C ATOM 316 C LYS A 23 -1.158 -12.724 11.095 1.00 10.00 C ATOM 317 O LYS A 23 -0.912 -13.811 11.622 1.00 10.00 O ATOM 318 CB LYS A 23 -3.459 -11.512 10.798 1.00 10.00 C ATOM 319 CG LYS A 23 -3.599 -11.564 12.320 1.00 10.00 C ATOM 320 CD LYS A 23 -4.674 -10.604 12.842 1.00 10.00 C ATOM 321 CE LYS A 23 -4.520 -10.357 14.347 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.617 -11.605 15.124 1.00 10.00 N ATOM 0 H LYS A 23 -4.110 -13.819 10.253 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.055 -12.123 9.331 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.147 -10.511 10.500 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -4.432 -11.692 10.341 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.845 -12.581 12.625 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.642 -11.317 12.779 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.608 -9.656 12.308 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.662 -11.017 12.639 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.557 -9.884 14.540 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -5.290 -9.661 14.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.610 -11.383 16.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.502 -12.096 14.883 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.808 -12.218 14.898 1.00 10.00 H new ATOM 336 N PRO A 24 -0.312 -11.683 11.222 1.00 10.00 N ATOM 337 CA PRO A 24 0.956 -11.749 11.936 1.00 10.00 C ATOM 338 C PRO A 24 0.908 -12.560 13.231 1.00 10.00 C ATOM 339 O PRO A 24 0.094 -12.280 14.112 1.00 10.00 O ATOM 340 CB PRO A 24 1.371 -10.295 12.166 1.00 10.00 C ATOM 341 CG PRO A 24 0.828 -9.609 10.913 1.00 10.00 C ATOM 342 CD PRO A 24 -0.492 -10.344 10.677 1.00 10.00 C ATOM 0 HA PRO A 24 1.692 -12.292 11.344 1.00 10.00 H new ATOM 0 HB2 PRO A 24 0.935 -9.885 13.077 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.452 -10.188 12.254 1.00 10.00 H new ATOM 0 HG2 PRO A 24 0.675 -8.541 11.069 1.00 10.00 H new ATOM 0 HG3 PRO A 24 1.507 -9.713 10.067 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -1.318 -9.830 11.170 1.00 10.00 H new ATOM 0 HD3 PRO A 24 -0.731 -10.385 9.614 1.00 10.00 H new ATOM 350 N GLY A 25 1.768 -13.582 13.322 1.00 10.00 N ATOM 351 CA GLY A 25 1.881 -14.475 14.469 1.00 10.00 C ATOM 352 C GLY A 25 0.549 -15.055 14.955 1.00 10.00 C ATOM 353 O GLY A 25 0.429 -15.401 16.128 1.00 10.00 O ATOM 0 H GLY A 25 2.422 -13.813 12.574 1.00 10.00 H new ATOM 0 HA2 GLY A 25 2.548 -15.297 14.209 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.349 -13.933 15.291 1.00 10.00 H new ATOM 357 N THR A 26 -0.445 -15.168 14.070 1.00 10.00 N ATOM 358 CA THR A 26 -1.765 -15.699 14.377 1.00 10.00 C ATOM 359 C THR A 26 -1.922 -17.002 13.597 1.00 10.00 C ATOM 360 O THR A 26 -1.396 -17.118 12.492 1.00 10.00 O ATOM 361 CB THR A 26 -2.811 -14.653 13.970 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.469 -13.403 14.546 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.236 -14.999 14.406 1.00 10.00 C ATOM 0 H THR A 26 -0.346 -14.884 13.096 1.00 10.00 H new ATOM 0 HA THR A 26 -1.897 -15.907 15.439 1.00 10.00 H new ATOM 0 HB THR A 26 -2.801 -14.623 12.880 1.00 10.00 H new ATOM 0 HG1 THR A 26 -1.618 -13.092 14.172 1.00 10.00 H new ATOM 0 HG21 THR A 26 -4.917 -14.212 14.082 1.00 10.00 H new ATOM 0 HG22 THR A 26 -4.535 -15.946 13.956 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.273 -15.086 15.492 1.00 10.00 H new ATOM 371 N GLN A 27 -2.630 -17.986 14.158 1.00 10.00 N ATOM 372 CA GLN A 27 -2.843 -19.267 13.498 1.00 10.00 C ATOM 373 C GLN A 27 -4.146 -19.251 12.688 1.00 10.00 C ATOM 374 O GLN A 27 -5.092 -18.561 13.069 1.00 10.00 O ATOM 375 CB GLN A 27 -2.873 -20.400 14.537 1.00 10.00 C ATOM 376 CG GLN A 27 -3.967 -20.247 15.607 1.00 10.00 C ATOM 377 CD GLN A 27 -4.415 -21.604 16.137 1.00 10.00 C ATOM 378 OE1 GLN A 27 -4.094 -21.978 17.259 1.00 10.00 O ATOM 379 NE2 GLN A 27 -5.167 -22.355 15.335 1.00 10.00 N ATOM 0 H GLN A 27 -3.067 -17.914 15.077 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.016 -19.442 12.810 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.017 -21.348 14.019 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.903 -20.451 15.031 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.592 -19.638 16.430 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.822 -19.719 15.184 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -5.418 -22.016 14.406 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -5.492 -23.269 15.649 1.00 10.00 H new ATOM 388 N PRO A 28 -4.234 -20.031 11.599 1.00 10.00 N ATOM 389 CA PRO A 28 -5.473 -20.191 10.859 1.00 10.00 C ATOM 390 C PRO A 28 -6.383 -21.141 11.653 1.00 10.00 C ATOM 391 O PRO A 28 -5.995 -21.633 12.716 1.00 10.00 O ATOM 392 CB PRO A 28 -5.045 -20.814 9.531 1.00 10.00 C ATOM 393 CG PRO A 28 -3.873 -21.701 9.950 1.00 10.00 C ATOM 394 CD PRO A 28 -3.188 -20.870 11.033 1.00 10.00 C ATOM 0 HA PRO A 28 -6.022 -19.263 10.700 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.849 -21.391 9.075 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.744 -20.058 8.806 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.211 -22.664 10.333 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.204 -21.907 9.115 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.742 -21.509 11.795 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.384 -20.265 10.614 1.00 10.00 H new ATOM 402 N GLN A 29 -7.578 -21.430 11.129 1.00 10.00 N ATOM 403 CA GLN A 29 -8.508 -22.363 11.760 1.00 10.00 C ATOM 404 C GLN A 29 -8.596 -23.629 10.909 1.00 10.00 C ATOM 405 O GLN A 29 -8.869 -23.539 9.717 1.00 10.00 O ATOM 406 CB GLN A 29 -9.885 -21.707 11.916 1.00 10.00 C ATOM 407 CG GLN A 29 -9.846 -20.599 12.976 1.00 10.00 C ATOM 408 CD GLN A 29 -11.198 -19.908 13.114 1.00 10.00 C ATOM 409 OE1 GLN A 29 -11.332 -18.724 12.828 1.00 10.00 O ATOM 410 NE2 GLN A 29 -12.219 -20.639 13.554 1.00 10.00 N ATOM 0 H GLN A 29 -7.924 -21.024 10.259 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.150 -22.630 12.754 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.204 -21.291 10.961 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.621 -22.460 12.198 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -9.554 -21.023 13.936 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.087 -19.864 12.708 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -12.080 -21.623 13.785 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.141 -20.216 13.660 1.00 10.00 H new ATOM 419 N THR A 30 -8.356 -24.803 11.497 1.00 10.00 N ATOM 420 CA THR A 30 -8.423 -26.087 10.815 1.00 10.00 C ATOM 421 C THR A 30 -9.733 -26.207 10.035 1.00 10.00 C ATOM 422 O THR A 30 -10.800 -26.063 10.627 1.00 10.00 O ATOM 423 CB THR A 30 -8.349 -27.186 11.884 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.397 -26.803 12.861 1.00 10.00 O ATOM 425 CG2 THR A 30 -7.958 -28.533 11.272 1.00 10.00 C ATOM 0 H THR A 30 -8.105 -24.884 12.482 1.00 10.00 H new ATOM 0 HA THR A 30 -7.599 -26.182 10.107 1.00 10.00 H new ATOM 0 HB THR A 30 -9.332 -27.305 12.339 1.00 10.00 H new ATOM 0 HG1 THR A 30 -7.340 -27.496 13.552 1.00 10.00 H new ATOM 0 HG21 THR A 30 -7.914 -29.290 12.055 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.700 -28.823 10.528 1.00 10.00 H new ATOM 0 HG23 THR A 30 -6.981 -28.447 10.796 1.00 10.00 H new ATOM 433 N CYS A 31 -9.678 -26.478 8.728 1.00 10.00 N ATOM 434 CA CYS A 31 -10.896 -26.624 7.944 1.00 10.00 C ATOM 435 C CYS A 31 -11.628 -27.891 8.409 1.00 10.00 C ATOM 436 O CYS A 31 -11.078 -28.986 8.261 1.00 10.00 O ATOM 437 CB CYS A 31 -10.566 -26.709 6.455 1.00 10.00 C ATOM 438 SG CYS A 31 -12.041 -26.777 5.400 1.00 10.00 S ATOM 0 H CYS A 31 -8.813 -26.598 8.201 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.537 -25.755 8.093 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.965 -25.845 6.173 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.957 -27.594 6.274 1.00 10.00 H new ATOM 0 HG CYS A 31 -11.681 -26.777 4.151 1.00 10.00 H new ATOM 443 N PRO A 32 -12.846 -27.784 8.965 1.00 10.00 N ATOM 444 CA PRO A 32 -13.561 -28.941 9.471 1.00 10.00 C ATOM 445 C PRO A 32 -14.034 -29.834 8.325 1.00 10.00 C ATOM 446 O PRO A 32 -13.991 -31.056 8.447 1.00 10.00 O ATOM 447 CB PRO A 32 -14.708 -28.371 10.306 1.00 10.00 C ATOM 448 CG PRO A 32 -15.007 -27.033 9.630 1.00 10.00 C ATOM 449 CD PRO A 32 -13.625 -26.569 9.167 1.00 10.00 C ATOM 0 HA PRO A 32 -12.933 -29.589 10.083 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.577 -29.029 10.297 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.419 -28.239 11.349 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.696 -27.148 8.793 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.461 -26.323 10.322 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.695 -25.991 8.245 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.159 -25.925 9.912 1.00 10.00 H new ATOM 457 N THR A 33 -14.465 -29.236 7.212 1.00 10.00 N ATOM 458 CA THR A 33 -14.964 -29.903 6.018 1.00 10.00 C ATOM 459 C THR A 33 -14.086 -31.081 5.580 1.00 10.00 C ATOM 460 O THR A 33 -14.602 -32.122 5.187 1.00 10.00 O ATOM 461 CB THR A 33 -15.075 -28.846 4.908 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.352 -27.585 5.496 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.175 -29.201 3.903 1.00 10.00 C ATOM 0 H THR A 33 -14.474 -28.220 7.120 1.00 10.00 H new ATOM 0 HA THR A 33 -15.939 -30.340 6.235 1.00 10.00 H new ATOM 0 HB THR A 33 -14.129 -28.811 4.368 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.521 -27.071 5.574 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.226 -28.432 3.132 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.950 -30.163 3.442 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.133 -29.261 4.419 1.00 10.00 H new ATOM 471 N CYS A 34 -12.762 -30.909 5.657 1.00 10.00 N ATOM 472 CA CYS A 34 -11.783 -31.932 5.301 1.00 10.00 C ATOM 473 C CYS A 34 -10.994 -32.405 6.525 1.00 10.00 C ATOM 474 O CYS A 34 -9.929 -33.001 6.373 1.00 10.00 O ATOM 475 CB CYS A 34 -10.839 -31.386 4.226 1.00 10.00 C ATOM 476 SG CYS A 34 -10.029 -29.815 4.589 1.00 10.00 S ATOM 0 H CYS A 34 -12.337 -30.038 5.975 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.316 -32.797 4.907 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.067 -32.133 4.039 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.404 -31.273 3.301 1.00 10.00 H new ATOM 0 HG CYS A 34 -10.928 -28.915 4.859 1.00 10.00 H new ATOM 481 N HIS A 35 -11.482 -32.128 7.738 1.00 10.00 N ATOM 482 CA HIS A 35 -10.826 -32.491 8.992 1.00 10.00 C ATOM 483 C HIS A 35 -9.338 -32.114 8.952 1.00 10.00 C ATOM 484 O HIS A 35 -8.478 -32.886 9.368 1.00 10.00 O ATOM 485 CB HIS A 35 -11.021 -33.989 9.284 1.00 10.00 C ATOM 486 CG HIS A 35 -12.449 -34.486 9.281 1.00 10.00 C ATOM 487 ND1 HIS A 35 -13.598 -33.732 9.173 1.00 10.00 N ATOM 488 CD2 HIS A 35 -12.831 -35.799 9.368 1.00 10.00 C ATOM 489 CE1 HIS A 35 -14.642 -34.576 9.189 1.00 10.00 C ATOM 490 NE2 HIS A 35 -14.227 -35.848 9.311 1.00 10.00 N ATOM 0 H HIS A 35 -12.364 -31.634 7.875 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.286 -31.930 9.805 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -10.458 -34.559 8.545 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -10.583 -34.209 10.258 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -13.646 -32.716 9.095 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -12.170 -36.647 9.464 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -15.676 -34.273 9.114 1.00 10.00 H new ATOM 498 N GLY A 36 -9.027 -30.929 8.421 1.00 10.00 N ATOM 499 CA GLY A 36 -7.662 -30.439 8.304 1.00 10.00 C ATOM 500 C GLY A 36 -6.772 -31.176 7.291 1.00 10.00 C ATOM 501 O GLY A 36 -5.641 -30.746 7.084 1.00 10.00 O ATOM 0 H GLY A 36 -9.726 -30.281 8.058 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.697 -29.385 8.029 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.190 -30.498 9.285 1.00 10.00 H new ATOM 505 N SER A 37 -7.227 -32.262 6.651 1.00 10.00 N ATOM 506 CA SER A 37 -6.383 -33.000 5.708 1.00 10.00 C ATOM 507 C SER A 37 -6.079 -32.183 4.452 1.00 10.00 C ATOM 508 O SER A 37 -4.994 -32.284 3.887 1.00 10.00 O ATOM 509 CB SER A 37 -7.023 -34.342 5.335 1.00 10.00 C ATOM 510 OG SER A 37 -8.213 -34.154 4.592 1.00 10.00 O ATOM 0 H SER A 37 -8.165 -32.644 6.769 1.00 10.00 H new ATOM 0 HA SER A 37 -5.435 -33.194 6.210 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.318 -34.935 4.753 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.242 -34.907 6.241 1.00 10.00 H new ATOM 0 HG SER A 37 -8.934 -33.876 5.194 1.00 10.00 H new ATOM 516 N GLY A 38 -7.064 -31.400 4.006 1.00 10.00 N ATOM 517 CA GLY A 38 -6.982 -30.571 2.813 1.00 10.00 C ATOM 518 C GLY A 38 -7.708 -31.187 1.617 1.00 10.00 C ATOM 519 O GLY A 38 -7.653 -30.619 0.527 1.00 10.00 O ATOM 0 H GLY A 38 -7.963 -31.327 4.482 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.408 -29.591 3.026 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.935 -30.414 2.556 1.00 10.00 H new ATOM 523 N GLN A 39 -8.411 -32.314 1.794 1.00 10.00 N ATOM 524 CA GLN A 39 -9.145 -32.970 0.717 1.00 10.00 C ATOM 525 C GLN A 39 -10.549 -33.366 1.173 1.00 10.00 C ATOM 526 O GLN A 39 -10.769 -33.659 2.344 1.00 10.00 O ATOM 527 CB GLN A 39 -8.335 -34.148 0.151 1.00 10.00 C ATOM 528 CG GLN A 39 -7.907 -35.208 1.179 1.00 10.00 C ATOM 529 CD GLN A 39 -9.060 -36.087 1.658 1.00 10.00 C ATOM 530 OE1 GLN A 39 -9.767 -36.688 0.855 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.287 -36.154 2.964 1.00 10.00 N ATOM 0 H GLN A 39 -8.483 -32.793 2.692 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.281 -32.264 -0.102 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.927 -34.636 -0.623 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.441 -33.753 -0.332 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -7.136 -35.840 0.739 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.458 -34.710 2.038 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -8.686 -35.646 3.613 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -10.062 -36.714 3.319 1.00 10.00 H new ATOM 540 N VAL A 40 -11.490 -33.388 0.234 1.00 10.00 N ATOM 541 CA VAL A 40 -12.867 -33.802 0.439 1.00 10.00 C ATOM 542 C VAL A 40 -13.005 -35.154 -0.239 1.00 10.00 C ATOM 543 O VAL A 40 -12.615 -35.278 -1.399 1.00 10.00 O ATOM 544 CB VAL A 40 -13.847 -32.793 -0.182 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.992 -31.576 0.732 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.444 -32.337 -1.594 1.00 10.00 C ATOM 0 H VAL A 40 -11.303 -33.106 -0.728 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.103 -33.857 1.502 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.801 -33.310 -0.281 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.688 -30.866 0.285 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.372 -31.894 1.703 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.020 -31.100 0.860 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.180 -31.626 -1.971 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.465 -31.860 -1.557 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.402 -33.201 -2.257 1.00 10.00 H new ATOM 556 N GLN A 41 -13.554 -36.148 0.463 1.00 10.00 N ATOM 557 CA GLN A 41 -13.756 -37.481 -0.075 1.00 10.00 C ATOM 558 C GLN A 41 -15.246 -37.787 -0.149 1.00 10.00 C ATOM 559 O GLN A 41 -15.915 -37.976 0.866 1.00 10.00 O ATOM 560 CB GLN A 41 -12.949 -38.510 0.714 1.00 10.00 C ATOM 561 CG GLN A 41 -13.075 -39.906 0.086 1.00 10.00 C ATOM 562 CD GLN A 41 -11.869 -40.773 0.416 1.00 10.00 C ATOM 563 OE1 GLN A 41 -11.024 -41.016 -0.442 1.00 10.00 O ATOM 564 NE2 GLN A 41 -11.766 -41.236 1.657 1.00 10.00 N ATOM 0 H GLN A 41 -13.871 -36.042 1.427 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.378 -37.534 -1.096 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.901 -38.213 0.741 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.299 -38.538 1.746 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.983 -40.389 0.448 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.173 -39.813 -0.996 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.486 -41.015 2.345 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -10.967 -41.812 1.922 1.00 10.00 H new ATOM 573 N MET A 42 -15.747 -37.854 -1.378 1.00 10.00 N ATOM 574 CA MET A 42 -17.120 -38.173 -1.700 1.00 10.00 C ATOM 575 C MET A 42 -17.310 -39.670 -1.452 1.00 10.00 C ATOM 576 O MET A 42 -17.251 -40.480 -2.377 1.00 10.00 O ATOM 577 CB MET A 42 -17.419 -37.779 -3.159 1.00 10.00 C ATOM 578 CG MET A 42 -16.893 -36.383 -3.529 1.00 10.00 C ATOM 579 SD MET A 42 -17.325 -35.008 -2.432 1.00 10.00 S ATOM 580 CE MET A 42 -19.114 -34.947 -2.669 1.00 10.00 C ATOM 0 H MET A 42 -15.178 -37.679 -2.206 1.00 10.00 H new ATOM 0 HA MET A 42 -17.820 -37.616 -1.077 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.973 -38.517 -3.826 1.00 10.00 H new ATOM 0 HB3 MET A 42 -18.496 -37.810 -3.323 1.00 10.00 H new ATOM 0 HG2 MET A 42 -15.806 -36.438 -3.587 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.254 -36.142 -4.529 1.00 10.00 H new ATOM 0 HE1 MET A 42 -19.535 -34.148 -2.059 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.336 -34.757 -3.719 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.553 -35.900 -2.372 1.00 10.00 H new ATOM 590 N ARG A 43 -17.498 -40.049 -0.185 1.00 10.00 N ATOM 591 CA ARG A 43 -17.683 -41.433 0.233 1.00 10.00 C ATOM 592 C ARG A 43 -19.076 -41.927 -0.186 1.00 10.00 C ATOM 593 O ARG A 43 -19.946 -42.176 0.648 1.00 10.00 O ATOM 594 CB ARG A 43 -17.434 -41.543 1.745 1.00 10.00 C ATOM 595 CG ARG A 43 -17.308 -43.006 2.200 1.00 10.00 C ATOM 596 CD ARG A 43 -17.031 -43.092 3.704 1.00 10.00 C ATOM 597 NE ARG A 43 -18.154 -42.557 4.483 1.00 10.00 N ATOM 598 CZ ARG A 43 -18.164 -42.420 5.817 1.00 10.00 C ATOM 599 NH1 ARG A 43 -17.105 -42.799 6.541 1.00 10.00 N ATOM 600 NH2 ARG A 43 -19.240 -41.905 6.418 1.00 10.00 N ATOM 0 H ARG A 43 -17.526 -39.387 0.590 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.962 -42.083 -0.263 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -16.523 -41.003 2.003 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -18.252 -41.064 2.283 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.226 -43.544 1.965 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -16.503 -43.493 1.650 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -16.852 -44.130 3.985 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -16.123 -42.537 3.941 1.00 10.00 H new ATOM 0 HE ARG A 43 -18.988 -42.268 3.972 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -16.286 -43.194 6.079 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -17.116 -42.693 7.555 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -20.046 -41.619 5.863 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -19.255 -41.798 7.432 1.00 10.00 H new ATOM 614 N GLN A 44 -19.290 -42.060 -1.496 1.00 10.00 N ATOM 615 CA GLN A 44 -20.543 -42.503 -2.091 1.00 10.00 C ATOM 616 C GLN A 44 -20.757 -44.004 -1.856 1.00 10.00 C ATOM 617 O GLN A 44 -20.670 -44.823 -2.773 1.00 10.00 O ATOM 618 CB GLN A 44 -20.618 -42.088 -3.571 1.00 10.00 C ATOM 619 CG GLN A 44 -19.381 -42.480 -4.392 1.00 10.00 C ATOM 620 CD GLN A 44 -19.524 -42.179 -5.880 1.00 10.00 C ATOM 621 OE1 GLN A 44 -20.578 -41.772 -6.356 1.00 10.00 O ATOM 622 NE2 GLN A 44 -18.447 -42.383 -6.630 1.00 10.00 N ATOM 0 H GLN A 44 -18.571 -41.855 -2.190 1.00 10.00 H new ATOM 0 HA GLN A 44 -21.375 -42.002 -1.596 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -21.500 -42.544 -4.021 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.753 -41.008 -3.629 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.512 -41.949 -4.003 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -19.189 -43.545 -4.261 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -17.585 -42.722 -6.203 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -18.482 -42.200 -7.633 1.00 10.00 H new ATOM 631 N GLY A 45 -21.027 -44.369 -0.602 1.00 10.00 N ATOM 632 CA GLY A 45 -21.284 -45.738 -0.181 1.00 10.00 C ATOM 633 C GLY A 45 -20.008 -46.573 -0.146 1.00 10.00 C ATOM 634 O GLY A 45 -19.609 -47.046 0.915 1.00 10.00 O ATOM 0 H GLY A 45 -21.073 -43.699 0.166 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -21.742 -45.733 0.808 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -22.000 -46.198 -0.862 1.00 10.00 H new ATOM 638 N PHE A 46 -19.377 -46.770 -1.306 1.00 10.00 N ATOM 639 CA PHE A 46 -18.165 -47.572 -1.434 1.00 10.00 C ATOM 640 C PHE A 46 -17.221 -47.047 -2.518 1.00 10.00 C ATOM 641 O PHE A 46 -16.009 -47.104 -2.324 1.00 10.00 O ATOM 642 CB PHE A 46 -18.512 -49.051 -1.627 1.00 10.00 C ATOM 643 CG PHE A 46 -19.363 -49.362 -2.842 1.00 10.00 C ATOM 644 CD1 PHE A 46 -20.765 -49.242 -2.771 1.00 10.00 C ATOM 645 CD2 PHE A 46 -18.764 -49.851 -4.016 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.561 -49.610 -3.868 1.00 10.00 C ATOM 647 CE2 PHE A 46 -19.564 -50.265 -5.093 1.00 10.00 C ATOM 648 CZ PHE A 46 -20.962 -50.134 -5.026 1.00 10.00 C ATOM 0 H PHE A 46 -19.698 -46.372 -2.189 1.00 10.00 H new ATOM 0 HA PHE A 46 -17.613 -47.481 -0.498 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.584 -49.619 -1.698 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -19.034 -49.404 -0.738 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -21.229 -48.866 -1.871 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -17.688 -49.908 -4.090 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.633 -49.490 -3.822 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -19.104 -50.685 -5.975 1.00 10.00 H new ATOM 0 HZ PHE A 46 -21.574 -50.436 -5.863 1.00 10.00 H new ATOM 658 N PHE A 47 -17.731 -46.517 -3.638 1.00 10.00 N ATOM 659 CA PHE A 47 -16.886 -45.954 -4.694 1.00 10.00 C ATOM 660 C PHE A 47 -16.347 -44.582 -4.260 1.00 10.00 C ATOM 661 O PHE A 47 -16.607 -43.571 -4.913 1.00 10.00 O ATOM 662 CB PHE A 47 -17.682 -45.821 -6.002 1.00 10.00 C ATOM 663 CG PHE A 47 -18.175 -47.109 -6.631 1.00 10.00 C ATOM 664 CD1 PHE A 47 -17.244 -48.020 -7.168 1.00 10.00 C ATOM 665 CD2 PHE A 47 -19.545 -47.272 -6.910 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.677 -49.064 -8.004 1.00 10.00 C ATOM 667 CE2 PHE A 47 -19.975 -48.304 -7.764 1.00 10.00 C ATOM 668 CZ PHE A 47 -19.040 -49.192 -8.321 1.00 10.00 C ATOM 0 H PHE A 47 -18.731 -46.468 -3.834 1.00 10.00 H new ATOM 0 HA PHE A 47 -16.045 -46.626 -4.866 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -18.545 -45.183 -5.812 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -17.057 -45.304 -6.730 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -16.194 -47.916 -6.937 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -20.268 -46.603 -6.467 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -16.962 -49.768 -8.403 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -21.025 -48.414 -7.992 1.00 10.00 H new ATOM 0 HZ PHE A 47 -19.368 -49.972 -8.992 1.00 10.00 H new ATOM 678 N ALA A 48 -15.606 -44.534 -3.153 1.00 10.00 N ATOM 679 CA ALA A 48 -15.069 -43.308 -2.596 1.00 10.00 C ATOM 680 C ALA A 48 -14.044 -42.675 -3.535 1.00 10.00 C ATOM 681 O ALA A 48 -13.098 -43.340 -3.954 1.00 10.00 O ATOM 682 CB ALA A 48 -14.447 -43.600 -1.227 1.00 10.00 C ATOM 0 H ALA A 48 -15.362 -45.365 -2.614 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.882 -42.592 -2.475 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.043 -42.679 -0.807 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -15.210 -43.999 -0.559 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -13.645 -44.330 -1.340 1.00 10.00 H new ATOM 688 N VAL A 49 -14.218 -41.387 -3.834 1.00 10.00 N ATOM 689 CA VAL A 49 -13.309 -40.589 -4.647 1.00 10.00 C ATOM 690 C VAL A 49 -13.154 -39.250 -3.949 1.00 10.00 C ATOM 691 O VAL A 49 -14.021 -38.887 -3.155 1.00 10.00 O ATOM 692 CB VAL A 49 -13.810 -40.440 -6.088 1.00 10.00 C ATOM 693 CG1 VAL A 49 -13.592 -41.773 -6.796 1.00 10.00 C ATOM 694 CG2 VAL A 49 -15.278 -40.002 -6.180 1.00 10.00 C ATOM 0 H VAL A 49 -15.024 -40.856 -3.504 1.00 10.00 H new ATOM 0 HA VAL A 49 -12.341 -41.082 -4.736 1.00 10.00 H new ATOM 0 HB VAL A 49 -13.245 -39.643 -6.571 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -13.940 -41.699 -7.826 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -12.530 -42.020 -6.788 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -14.150 -42.554 -6.280 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -15.567 -39.916 -7.227 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -15.910 -40.742 -5.689 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -15.401 -39.037 -5.689 1.00 10.00 H new ATOM 704 N GLN A 50 -12.047 -38.545 -4.191 1.00 10.00 N ATOM 705 CA GLN A 50 -11.760 -37.323 -3.466 1.00 10.00 C ATOM 706 C GLN A 50 -11.174 -36.235 -4.354 1.00 10.00 C ATOM 707 O GLN A 50 -10.654 -36.526 -5.431 1.00 10.00 O ATOM 708 CB GLN A 50 -10.841 -37.688 -2.288 1.00 10.00 C ATOM 709 CG GLN A 50 -9.388 -37.908 -2.716 1.00 10.00 C ATOM 710 CD GLN A 50 -8.485 -38.289 -1.544 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.487 -37.621 -1.290 1.00 10.00 O ATOM 712 NE2 GLN A 50 -8.800 -39.360 -0.822 1.00 10.00 N ATOM 0 H GLN A 50 -11.343 -38.804 -4.882 1.00 10.00 H new ATOM 0 HA GLN A 50 -12.688 -36.891 -3.090 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.879 -36.893 -1.543 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -11.215 -38.593 -1.808 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -9.350 -38.694 -3.471 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.008 -36.999 -3.183 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -9.634 -39.901 -1.050 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.208 -39.640 -0.040 1.00 10.00 H new ATOM 721 N GLN A 51 -11.239 -34.990 -3.876 1.00 10.00 N ATOM 722 CA GLN A 51 -10.701 -33.816 -4.549 1.00 10.00 C ATOM 723 C GLN A 51 -10.092 -32.889 -3.498 1.00 10.00 C ATOM 724 O GLN A 51 -10.393 -33.016 -2.313 1.00 10.00 O ATOM 725 CB GLN A 51 -11.799 -33.053 -5.313 1.00 10.00 C ATOM 726 CG GLN A 51 -12.740 -33.926 -6.160 1.00 10.00 C ATOM 727 CD GLN A 51 -13.876 -34.543 -5.345 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.016 -35.759 -5.273 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.712 -33.706 -4.733 1.00 10.00 N ATOM 0 H GLN A 51 -11.681 -34.770 -2.984 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.949 -34.141 -5.268 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.398 -32.495 -4.593 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.323 -32.322 -5.966 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -13.163 -33.322 -6.963 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.163 -34.722 -6.630 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.572 -32.699 -4.810 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.492 -34.072 -4.188 1.00 10.00 H new ATOM 738 N THR A 52 -9.266 -31.932 -3.923 1.00 10.00 N ATOM 739 CA THR A 52 -8.696 -30.928 -3.039 1.00 10.00 C ATOM 740 C THR A 52 -9.839 -30.106 -2.434 1.00 10.00 C ATOM 741 O THR A 52 -10.770 -29.747 -3.153 1.00 10.00 O ATOM 742 CB THR A 52 -7.776 -30.036 -3.881 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.935 -30.854 -4.670 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.930 -29.107 -3.011 1.00 10.00 C ATOM 0 H THR A 52 -8.975 -31.836 -4.896 1.00 10.00 H new ATOM 0 HA THR A 52 -8.125 -31.382 -2.229 1.00 10.00 H new ATOM 0 HB THR A 52 -8.399 -29.408 -4.518 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.345 -30.290 -5.212 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.293 -28.493 -3.647 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.584 -28.463 -2.423 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.309 -29.702 -2.341 1.00 10.00 H new ATOM 752 N CYS A 53 -9.792 -29.794 -1.136 1.00 10.00 N ATOM 753 CA CYS A 53 -10.847 -29.010 -0.509 1.00 10.00 C ATOM 754 C CYS A 53 -10.777 -27.568 -1.026 1.00 10.00 C ATOM 755 O CYS A 53 -9.768 -26.898 -0.788 1.00 10.00 O ATOM 756 CB CYS A 53 -10.706 -29.042 1.014 1.00 10.00 C ATOM 757 SG CYS A 53 -12.064 -28.200 1.874 1.00 10.00 S ATOM 0 H CYS A 53 -9.039 -30.072 -0.507 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.816 -29.438 -0.765 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.661 -30.079 1.347 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.762 -28.576 1.295 1.00 10.00 H new ATOM 0 HG CYS A 53 -11.992 -28.450 3.148 1.00 10.00 H new ATOM 762 N PRO A 54 -11.813 -27.063 -1.719 1.00 10.00 N ATOM 763 CA PRO A 54 -11.793 -25.718 -2.268 1.00 10.00 C ATOM 764 C PRO A 54 -11.866 -24.663 -1.166 1.00 10.00 C ATOM 765 O PRO A 54 -11.184 -23.645 -1.252 1.00 10.00 O ATOM 766 CB PRO A 54 -12.995 -25.645 -3.214 1.00 10.00 C ATOM 767 CG PRO A 54 -13.980 -26.655 -2.627 1.00 10.00 C ATOM 768 CD PRO A 54 -13.065 -27.733 -2.045 1.00 10.00 C ATOM 0 HA PRO A 54 -10.863 -25.512 -2.797 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.420 -24.642 -3.244 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.717 -25.904 -4.236 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.611 -26.205 -1.860 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.645 -27.060 -3.390 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.509 -28.184 -1.158 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.902 -28.536 -2.763 1.00 10.00 H new ATOM 776 N HIS A 55 -12.693 -24.898 -0.140 1.00 10.00 N ATOM 777 CA HIS A 55 -12.932 -23.975 0.966 1.00 10.00 C ATOM 778 C HIS A 55 -11.643 -23.415 1.577 1.00 10.00 C ATOM 779 O HIS A 55 -11.594 -22.231 1.917 1.00 10.00 O ATOM 780 CB HIS A 55 -13.803 -24.660 2.028 1.00 10.00 C ATOM 781 CG HIS A 55 -14.387 -23.719 3.056 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.012 -22.411 3.284 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.409 -24.007 3.920 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.794 -21.930 4.265 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.658 -22.868 4.687 1.00 10.00 N ATOM 0 H HIS A 55 -13.228 -25.762 -0.058 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.461 -23.112 0.563 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.618 -25.185 1.529 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.205 -25.413 2.541 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.275 -21.902 2.796 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.931 -24.950 3.995 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.736 -20.927 4.660 1.00 10.00 H new ATOM 793 N CYS A 56 -10.614 -24.257 1.710 1.00 10.00 N ATOM 794 CA CYS A 56 -9.309 -23.877 2.243 1.00 10.00 C ATOM 795 C CYS A 56 -8.209 -24.021 1.188 1.00 10.00 C ATOM 796 O CYS A 56 -7.039 -24.141 1.541 1.00 10.00 O ATOM 797 CB CYS A 56 -8.985 -24.723 3.475 1.00 10.00 C ATOM 798 SG CYS A 56 -9.035 -26.505 3.207 1.00 10.00 S ATOM 0 H CYS A 56 -10.669 -25.240 1.444 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.351 -22.827 2.531 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.992 -24.452 3.833 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.689 -24.470 4.267 1.00 10.00 H new ATOM 0 HG CYS A 56 -10.193 -26.838 2.720 1.00 10.00 H new ATOM 803 N GLN A 57 -8.576 -24.014 -0.097 1.00 10.00 N ATOM 804 CA GLN A 57 -7.653 -24.095 -1.220 1.00 10.00 C ATOM 805 C GLN A 57 -6.574 -25.165 -0.987 1.00 10.00 C ATOM 806 O GLN A 57 -5.392 -24.934 -1.226 1.00 10.00 O ATOM 807 CB GLN A 57 -7.048 -22.705 -1.491 1.00 10.00 C ATOM 808 CG GLN A 57 -8.082 -21.584 -1.705 1.00 10.00 C ATOM 809 CD GLN A 57 -8.745 -21.102 -0.412 1.00 10.00 C ATOM 810 OE1 GLN A 57 -8.115 -20.451 0.416 1.00 10.00 O ATOM 811 NE2 GLN A 57 -10.017 -21.424 -0.212 1.00 10.00 N ATOM 0 H GLN A 57 -9.552 -23.950 -0.387 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.201 -24.407 -2.109 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.406 -22.433 -0.653 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -6.411 -22.767 -2.373 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -7.593 -20.739 -2.189 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.854 -21.939 -2.388 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.522 -21.966 -0.913 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.489 -21.130 0.643 1.00 10.00 H new ATOM 820 N GLY A 58 -6.985 -26.344 -0.510 1.00 10.00 N ATOM 821 CA GLY A 58 -6.085 -27.460 -0.253 1.00 10.00 C ATOM 822 C GLY A 58 -5.141 -27.307 0.947 1.00 10.00 C ATOM 823 O GLY A 58 -4.460 -28.269 1.287 1.00 10.00 O ATOM 0 H GLY A 58 -7.960 -26.547 -0.291 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.686 -28.357 -0.104 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.481 -27.625 -1.145 1.00 10.00 H new ATOM 827 N ARG A 59 -5.083 -26.151 1.619 1.00 10.00 N ATOM 828 CA ARG A 59 -4.178 -25.959 2.754 1.00 10.00 C ATOM 829 C ARG A 59 -4.683 -26.635 4.033 1.00 10.00 C ATOM 830 O ARG A 59 -3.999 -26.609 5.056 1.00 10.00 O ATOM 831 CB ARG A 59 -4.032 -24.467 3.063 1.00 10.00 C ATOM 832 CG ARG A 59 -3.530 -23.592 1.907 1.00 10.00 C ATOM 833 CD ARG A 59 -3.362 -22.154 2.424 1.00 10.00 C ATOM 834 NE ARG A 59 -4.617 -21.679 3.023 1.00 10.00 N ATOM 835 CZ ARG A 59 -5.661 -21.208 2.330 1.00 10.00 C ATOM 836 NH1 ARG A 59 -5.498 -20.662 1.123 1.00 10.00 N ATOM 837 NH2 ARG A 59 -6.890 -21.296 2.844 1.00 10.00 N ATOM 0 H ARG A 59 -5.653 -25.335 1.395 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.228 -26.408 2.463 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.000 -24.086 3.388 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.347 -24.355 3.903 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.581 -23.972 1.528 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.237 -23.617 1.078 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.561 -22.117 3.163 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -3.070 -21.497 1.605 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.698 -21.710 4.039 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.566 -20.598 0.714 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -6.306 -20.309 0.610 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -7.030 -21.721 3.761 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.689 -20.939 2.320 1.00 10.00 H new ATOM 851 N GLY A 60 -5.918 -27.144 4.032 1.00 10.00 N ATOM 852 CA GLY A 60 -6.547 -27.709 5.222 1.00 10.00 C ATOM 853 C GLY A 60 -6.785 -26.657 6.315 1.00 10.00 C ATOM 854 O GLY A 60 -7.195 -27.001 7.423 1.00 10.00 O ATOM 0 H GLY A 60 -6.509 -27.174 3.201 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.499 -28.163 4.946 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.917 -28.505 5.619 1.00 10.00 H new ATOM 858 N THR A 61 -6.524 -25.378 6.024 1.00 10.00 N ATOM 859 CA THR A 61 -6.582 -24.285 6.976 1.00 10.00 C ATOM 860 C THR A 61 -7.331 -23.080 6.404 1.00 10.00 C ATOM 861 O THR A 61 -7.066 -22.623 5.291 1.00 10.00 O ATOM 862 CB THR A 61 -5.142 -23.925 7.371 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.245 -24.102 6.291 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.670 -24.783 8.547 1.00 10.00 C ATOM 0 H THR A 61 -6.259 -25.075 5.087 1.00 10.00 H new ATOM 0 HA THR A 61 -7.140 -24.592 7.860 1.00 10.00 H new ATOM 0 HB THR A 61 -5.148 -22.874 7.659 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.176 -25.056 6.076 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.648 -24.510 8.809 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.322 -24.615 9.405 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.704 -25.836 8.266 1.00 10.00 H new ATOM 872 N LEU A 62 -8.268 -22.562 7.198 1.00 10.00 N ATOM 873 CA LEU A 62 -9.071 -21.396 6.901 1.00 10.00 C ATOM 874 C LEU A 62 -8.329 -20.177 7.428 1.00 10.00 C ATOM 875 O LEU A 62 -8.008 -20.084 8.619 1.00 10.00 O ATOM 876 CB LEU A 62 -10.452 -21.509 7.559 1.00 10.00 C ATOM 877 CG LEU A 62 -11.273 -22.695 7.034 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.557 -22.813 7.861 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.637 -22.510 5.557 1.00 10.00 C ATOM 0 H LEU A 62 -8.491 -22.970 8.106 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.227 -21.310 5.826 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.327 -21.610 8.637 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.006 -20.586 7.387 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.673 -23.600 7.125 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.149 -23.653 7.497 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.302 -22.976 8.908 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.136 -21.894 7.768 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.218 -23.367 5.215 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.227 -21.601 5.439 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.725 -22.431 4.965 1.00 10.00 H new ATOM 891 N ILE A 63 -8.056 -19.249 6.514 1.00 10.00 N ATOM 892 CA ILE A 63 -7.348 -18.015 6.779 1.00 10.00 C ATOM 893 C ILE A 63 -8.292 -17.049 7.496 1.00 10.00 C ATOM 894 O ILE A 63 -8.835 -16.127 6.897 1.00 10.00 O ATOM 895 CB ILE A 63 -6.760 -17.482 5.461 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.870 -18.538 4.776 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.970 -16.193 5.702 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.779 -19.144 5.666 1.00 10.00 C ATOM 0 H ILE A 63 -8.334 -19.346 5.538 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.500 -18.162 7.448 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.593 -17.260 4.794 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.506 -19.343 4.408 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.396 -18.083 3.906 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.563 -15.834 4.757 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.630 -15.435 6.124 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.154 -16.391 6.397 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.207 -19.875 5.094 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.113 -18.354 6.014 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.240 -19.634 6.524 1.00 10.00 H new ATOM 910 N LYS A 64 -8.476 -17.306 8.795 1.00 10.00 N ATOM 911 CA LYS A 64 -9.298 -16.545 9.728 1.00 10.00 C ATOM 912 C LYS A 64 -9.225 -15.039 9.453 1.00 10.00 C ATOM 913 O LYS A 64 -10.247 -14.363 9.354 1.00 10.00 O ATOM 914 CB LYS A 64 -8.788 -16.862 11.143 1.00 10.00 C ATOM 915 CG LYS A 64 -9.488 -16.059 12.247 1.00 10.00 C ATOM 916 CD LYS A 64 -8.846 -16.389 13.601 1.00 10.00 C ATOM 917 CE LYS A 64 -9.483 -15.593 14.746 1.00 10.00 C ATOM 918 NZ LYS A 64 -9.319 -14.139 14.565 1.00 10.00 N ATOM 0 H LYS A 64 -8.025 -18.102 9.246 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.345 -16.827 9.616 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -8.924 -17.926 11.338 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -7.717 -16.664 11.186 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.406 -14.991 12.043 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -10.551 -16.298 12.268 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -8.948 -17.456 13.800 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -7.778 -16.173 13.559 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -10.544 -15.833 14.808 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -9.032 -15.894 15.692 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -9.107 -13.697 15.482 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -8.537 -13.957 13.904 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -10.197 -13.736 14.181 1.00 10.00 H new ATOM 932 N ASP A 65 -7.998 -14.523 9.366 1.00 10.00 N ATOM 933 CA ASP A 65 -7.677 -13.124 9.136 1.00 10.00 C ATOM 934 C ASP A 65 -6.513 -13.098 8.138 1.00 10.00 C ATOM 935 O ASP A 65 -5.473 -13.676 8.433 1.00 10.00 O ATOM 936 CB ASP A 65 -7.353 -12.435 10.476 1.00 10.00 C ATOM 937 CG ASP A 65 -6.649 -13.325 11.511 1.00 10.00 C ATOM 938 OD1 ASP A 65 -5.675 -14.015 11.140 1.00 10.00 O ATOM 939 OD2 ASP A 65 -7.106 -13.298 12.674 1.00 10.00 O ATOM 0 H ASP A 65 -7.164 -15.103 9.459 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.514 -12.567 8.715 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.724 -11.567 10.278 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.281 -12.064 10.910 1.00 10.00 H new ATOM 944 N PRO A 66 -6.660 -12.499 6.946 1.00 10.00 N ATOM 945 CA PRO A 66 -5.633 -12.551 5.917 1.00 10.00 C ATOM 946 C PRO A 66 -4.414 -11.673 6.216 1.00 10.00 C ATOM 947 O PRO A 66 -4.529 -10.469 6.441 1.00 10.00 O ATOM 948 CB PRO A 66 -6.334 -12.122 4.624 1.00 10.00 C ATOM 949 CG PRO A 66 -7.432 -11.182 5.122 1.00 10.00 C ATOM 950 CD PRO A 66 -7.842 -11.807 6.457 1.00 10.00 C ATOM 0 HA PRO A 66 -5.217 -13.556 5.851 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.649 -11.617 3.942 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.747 -12.976 4.087 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.064 -10.164 5.249 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.269 -11.134 4.425 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.169 -11.044 7.163 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.675 -12.498 6.327 1.00 10.00 H new ATOM 958 N CYS A 67 -3.229 -12.282 6.175 1.00 10.00 N ATOM 959 CA CYS A 67 -1.954 -11.615 6.353 1.00 10.00 C ATOM 960 C CYS A 67 -1.682 -10.722 5.142 1.00 10.00 C ATOM 961 O CYS A 67 -1.156 -11.206 4.140 1.00 10.00 O ATOM 962 CB CYS A 67 -0.858 -12.678 6.448 1.00 10.00 C ATOM 963 SG CYS A 67 0.834 -12.049 6.585 1.00 10.00 S ATOM 0 H CYS A 67 -3.135 -13.284 6.011 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.970 -11.009 7.259 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -1.063 -13.309 7.313 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.919 -13.316 5.567 1.00 10.00 H new ATOM 0 HG CYS A 67 1.289 -12.285 7.780 1.00 10.00 H new ATOM 968 N ASN A 68 -2.035 -9.435 5.233 1.00 10.00 N ATOM 969 CA ASN A 68 -1.842 -8.427 4.187 1.00 10.00 C ATOM 970 C ASN A 68 -0.515 -8.595 3.441 1.00 10.00 C ATOM 971 O ASN A 68 -0.525 -8.623 2.214 1.00 10.00 O ATOM 972 CB ASN A 68 -1.970 -7.023 4.791 1.00 10.00 C ATOM 973 CG ASN A 68 -1.371 -5.918 3.917 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.550 -5.144 4.396 1.00 10.00 O ATOM 975 ND2 ASN A 68 -1.732 -5.823 2.641 1.00 10.00 N ATOM 0 H ASN A 68 -2.479 -9.054 6.068 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.624 -8.569 3.441 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.024 -6.806 4.963 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.479 -7.010 5.764 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.325 -5.100 2.048 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.416 -6.473 2.255 1.00 10.00 H new ATOM 982 N LYS A 69 0.606 -8.743 4.157 1.00 10.00 N ATOM 983 CA LYS A 69 1.930 -8.919 3.556 1.00 10.00 C ATOM 984 C LYS A 69 1.934 -9.909 2.381 1.00 10.00 C ATOM 985 O LYS A 69 2.619 -9.668 1.389 1.00 10.00 O ATOM 986 CB LYS A 69 2.961 -9.294 4.634 1.00 10.00 C ATOM 987 CG LYS A 69 4.369 -9.419 4.026 1.00 10.00 C ATOM 988 CD LYS A 69 5.487 -9.496 5.075 1.00 10.00 C ATOM 989 CE LYS A 69 5.701 -8.149 5.783 1.00 10.00 C ATOM 990 NZ LYS A 69 6.989 -8.113 6.500 1.00 10.00 N ATOM 0 H LYS A 69 0.618 -8.744 5.177 1.00 10.00 H new ATOM 0 HA LYS A 69 2.218 -7.961 3.124 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.965 -8.537 5.418 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.677 -10.237 5.102 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.407 -10.311 3.400 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.552 -8.564 3.375 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.240 -10.259 5.813 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.415 -9.805 4.595 1.00 10.00 H new ATOM 0 HE2 LYS A 69 5.669 -7.343 5.050 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.887 -7.973 6.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.929 -7.437 7.288 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.206 -9.060 6.871 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.742 -7.816 5.847 1.00 10.00 H new ATOM 1004 N CYS A 70 1.162 -10.997 2.473 1.00 10.00 N ATOM 1005 CA CYS A 70 1.020 -11.977 1.398 1.00 10.00 C ATOM 1006 C CYS A 70 -0.446 -12.123 0.983 1.00 10.00 C ATOM 1007 O CYS A 70 -0.784 -13.068 0.280 1.00 10.00 O ATOM 1008 CB CYS A 70 1.573 -13.331 1.852 1.00 10.00 C ATOM 1009 SG CYS A 70 0.824 -14.005 3.350 1.00 10.00 S ATOM 0 H CYS A 70 0.615 -11.221 3.304 1.00 10.00 H new ATOM 0 HA CYS A 70 1.586 -11.627 0.535 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.439 -14.050 1.043 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.646 -13.231 2.015 1.00 10.00 H new ATOM 0 HG CYS A 70 0.936 -13.143 4.317 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.330 -11.230 1.433 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.766 -11.288 1.193 1.00 10.00 C ATOM 1016 C HIS A 71 -3.317 -12.692 1.432 1.00 10.00 C ATOM 1017 O HIS A 71 -4.076 -13.229 0.628 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.065 -10.750 -0.204 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.812 -9.265 -0.266 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.633 -8.661 -0.640 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -3.586 -8.314 0.344 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.712 -7.367 -0.282 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -2.879 -7.109 0.336 1.00 10.00 N ATOM 0 H HIS A 71 -1.053 -10.423 1.992 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.284 -10.651 1.910 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.442 -11.261 -0.938 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.102 -10.959 -0.466 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -0.844 -9.112 -1.104 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.571 -8.469 0.759 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -0.942 -6.633 -0.466 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.911 -13.305 2.545 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.360 -14.643 2.900 1.00 10.00 C ATOM 1033 C GLY A 72 -2.920 -15.749 1.931 1.00 10.00 C ATOM 1034 O GLY A 72 -3.347 -16.888 2.093 1.00 10.00 O ATOM 0 H GLY A 72 -2.267 -12.888 3.218 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.988 -14.883 3.896 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.448 -14.642 2.958 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.052 -15.458 0.953 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.537 -16.462 0.021 1.00 10.00 C ATOM 1040 C HIS A 73 -0.521 -17.374 0.719 1.00 10.00 C ATOM 1041 O HIS A 73 -0.098 -18.381 0.155 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.878 -15.800 -1.198 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.781 -14.954 -2.063 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.909 -14.265 -1.672 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.577 -14.679 -3.390 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -3.370 -13.597 -2.743 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.592 -13.817 -3.814 1.00 10.00 N ATOM 0 H HIS A 73 -1.689 -14.519 0.788 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.383 -17.059 -0.320 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -0.056 -15.176 -0.847 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.442 -16.582 -1.819 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -3.320 -14.263 -0.738 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.773 -15.061 -4.001 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -4.248 -12.968 -2.742 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.083 -17.004 1.927 1.00 10.00 N ATOM 1056 CA GLY A 74 0.867 -17.784 2.715 1.00 10.00 C ATOM 1057 C GLY A 74 2.308 -17.585 2.250 1.00 10.00 C ATOM 1058 O GLY A 74 3.194 -17.319 3.060 1.00 10.00 O ATOM 0 H GLY A 74 -0.384 -16.145 2.387 1.00 10.00 H new ATOM 0 HA2 GLY A 74 0.784 -17.501 3.764 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.609 -18.841 2.649 1.00 10.00 H new ATOM 1062 N ARG A 75 2.550 -17.701 0.944 1.00 10.00 N ATOM 1063 CA ARG A 75 3.856 -17.496 0.333 1.00 10.00 C ATOM 1064 C ARG A 75 3.936 -16.120 -0.328 1.00 10.00 C ATOM 1065 O ARG A 75 2.921 -15.445 -0.512 1.00 10.00 O ATOM 1066 CB ARG A 75 4.192 -18.630 -0.653 1.00 10.00 C ATOM 1067 CG ARG A 75 3.044 -19.114 -1.555 1.00 10.00 C ATOM 1068 CD ARG A 75 2.355 -18.026 -2.389 1.00 10.00 C ATOM 1069 NE ARG A 75 3.267 -17.387 -3.352 1.00 10.00 N ATOM 1070 CZ ARG A 75 3.120 -16.144 -3.839 1.00 10.00 C ATOM 1071 NH1 ARG A 75 2.424 -15.218 -3.169 1.00 10.00 N ATOM 1072 NH2 ARG A 75 3.674 -15.827 -5.013 1.00 10.00 N ATOM 0 H ARG A 75 1.825 -17.946 0.270 1.00 10.00 H new ATOM 0 HA ARG A 75 4.610 -17.524 1.120 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.011 -18.297 -1.291 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.560 -19.482 -0.081 1.00 10.00 H new ATOM 0 HG2 ARG A 75 3.433 -19.874 -2.232 1.00 10.00 H new ATOM 0 HG3 ARG A 75 2.293 -19.598 -0.930 1.00 10.00 H new ATOM 0 HD2 ARG A 75 1.514 -18.464 -2.927 1.00 10.00 H new ATOM 0 HD3 ARG A 75 1.947 -17.267 -1.722 1.00 10.00 H new ATOM 0 HE ARG A 75 4.070 -17.928 -3.673 1.00 10.00 H new ATOM 0 HH11 ARG A 75 1.995 -15.451 -2.273 1.00 10.00 H new ATOM 0 HH12 ARG A 75 2.323 -14.279 -3.554 1.00 10.00 H new ATOM 0 HH21 ARG A 75 4.204 -16.527 -5.532 1.00 10.00 H new ATOM 0 HH22 ARG A 75 3.567 -14.885 -5.390 1.00 10.00 H new ATOM 1086 N VAL A 76 5.153 -15.729 -0.702 1.00 10.00 N ATOM 1087 CA VAL A 76 5.488 -14.512 -1.421 1.00 10.00 C ATOM 1088 C VAL A 76 6.539 -14.900 -2.458 1.00 10.00 C ATOM 1089 O VAL A 76 7.223 -15.908 -2.284 1.00 10.00 O ATOM 1090 CB VAL A 76 6.016 -13.419 -0.471 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.925 -12.970 0.503 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.252 -13.859 0.324 1.00 10.00 C ATOM 0 H VAL A 76 5.978 -16.292 -0.496 1.00 10.00 H new ATOM 0 HA VAL A 76 4.604 -14.089 -1.898 1.00 10.00 H new ATOM 0 HB VAL A 76 6.312 -12.587 -1.109 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.322 -12.198 1.163 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.080 -12.569 -0.057 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.595 -13.822 1.098 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.575 -13.046 0.974 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.004 -14.731 0.929 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.057 -14.114 -0.366 1.00 10.00 H new ATOM 1102 N GLU A 77 6.686 -14.105 -3.519 1.00 10.00 N ATOM 1103 CA GLU A 77 7.693 -14.324 -4.544 1.00 10.00 C ATOM 1104 C GLU A 77 8.869 -13.396 -4.258 1.00 10.00 C ATOM 1105 O GLU A 77 8.657 -12.200 -4.036 1.00 10.00 O ATOM 1106 CB GLU A 77 7.093 -14.049 -5.929 1.00 10.00 C ATOM 1107 CG GLU A 77 8.098 -14.366 -7.048 1.00 10.00 C ATOM 1108 CD GLU A 77 7.496 -14.142 -8.431 1.00 10.00 C ATOM 1109 OE1 GLU A 77 6.387 -14.671 -8.662 1.00 10.00 O ATOM 1110 OE2 GLU A 77 8.165 -13.460 -9.238 1.00 10.00 O ATOM 0 H GLU A 77 6.102 -13.286 -3.687 1.00 10.00 H new ATOM 0 HA GLU A 77 8.038 -15.358 -4.533 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.194 -14.651 -6.064 1.00 10.00 H new ATOM 0 HB3 GLU A 77 6.790 -13.004 -5.995 1.00 10.00 H new ATOM 0 HG2 GLU A 77 8.982 -13.739 -6.931 1.00 10.00 H new ATOM 0 HG3 GLU A 77 8.427 -15.401 -6.958 1.00 10.00 H new ATOM 1117 N ARG A 78 10.094 -13.930 -4.298 1.00 10.00 N ATOM 1118 CA ARG A 78 11.328 -13.174 -4.123 1.00 10.00 C ATOM 1119 C ARG A 78 11.490 -12.270 -5.356 1.00 10.00 C ATOM 1120 O ARG A 78 12.238 -12.547 -6.294 1.00 10.00 O ATOM 1121 CB ARG A 78 12.491 -14.158 -3.919 1.00 10.00 C ATOM 1122 CG ARG A 78 13.799 -13.474 -3.475 1.00 10.00 C ATOM 1123 CD ARG A 78 14.978 -13.932 -4.341 1.00 10.00 C ATOM 1124 NE ARG A 78 14.690 -13.603 -5.739 1.00 10.00 N ATOM 1125 CZ ARG A 78 14.807 -14.437 -6.775 1.00 10.00 C ATOM 1126 NH1 ARG A 78 15.729 -15.401 -6.784 1.00 10.00 N ATOM 1127 NH2 ARG A 78 13.949 -14.287 -7.785 1.00 10.00 N ATOM 0 H ARG A 78 10.254 -14.925 -4.457 1.00 10.00 H new ATOM 0 HA ARG A 78 11.311 -12.535 -3.240 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.205 -14.898 -3.172 1.00 10.00 H new ATOM 0 HB3 ARG A 78 12.669 -14.697 -4.850 1.00 10.00 H new ATOM 0 HG2 ARG A 78 13.690 -12.392 -3.545 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.999 -13.707 -2.429 1.00 10.00 H new ATOM 0 HD2 ARG A 78 15.896 -13.441 -4.019 1.00 10.00 H new ATOM 0 HD3 ARG A 78 15.134 -15.005 -4.230 1.00 10.00 H new ATOM 0 HE ARG A 78 14.373 -12.654 -5.938 1.00 10.00 H new ATOM 0 HH11 ARG A 78 16.360 -15.511 -5.990 1.00 10.00 H new ATOM 0 HH12 ARG A 78 15.803 -16.029 -7.585 1.00 10.00 H new ATOM 0 HH21 ARG A 78 13.238 -13.556 -7.746 1.00 10.00 H new ATOM 0 HH22 ARG A 78 14.003 -14.903 -8.596 1.00 10.00 H new ATOM 1141 N SER A 79 10.708 -11.195 -5.376 1.00 10.00 N ATOM 1142 CA SER A 79 10.608 -10.257 -6.475 1.00 10.00 C ATOM 1143 C SER A 79 11.862 -9.390 -6.556 1.00 10.00 C ATOM 1144 O SER A 79 11.838 -8.223 -6.166 1.00 10.00 O ATOM 1145 CB SER A 79 9.324 -9.441 -6.282 1.00 10.00 C ATOM 1146 OG SER A 79 8.217 -10.318 -6.133 1.00 10.00 O ATOM 0 H SER A 79 10.104 -10.949 -4.592 1.00 10.00 H new ATOM 0 HA SER A 79 10.547 -10.777 -7.431 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.416 -8.803 -5.403 1.00 10.00 H new ATOM 0 HB3 SER A 79 9.167 -8.784 -7.138 1.00 10.00 H new ATOM 0 HG SER A 79 8.325 -10.845 -5.314 1.00 10.00 H new