USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 414 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 50 CYS SG : rot 50:sc= -0.924 USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= -0.32 USER MOD Set 1.3: A 66 HIS : no HE2:sc= -3.99! K(o=-6.8!,f=-2.2) USER MOD Set 1.4: A 70 CYS SG : rot 120:sc= -1.56 USER MOD Set 2.1: A 18 CYS SG : rot 177:sc= 0.568 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -1.86 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -2.68 X(o=-9.6,f=-9.8) USER MOD Set 2.4: A 39 HIS : no HD1:sc= -5.68! C(o=-9.6!,f=-8.1!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.475 K(o=-0.48,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0322) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.16 K(o=1.2,f=-0.026) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -1.02 (180deg=-1.55) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.0434 (180deg=-0.336) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -165:sc= -0.0203 (180deg=-0.847) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 16 -17.670 4.473 3.150 1.00 0.00 N ATOM 194 CA TYR A 16 -16.683 5.004 2.217 1.00 0.00 C ATOM 195 C TYR A 16 -17.130 4.797 0.774 1.00 0.00 C ATOM 196 O TYR A 16 -16.996 3.705 0.221 1.00 0.00 O ATOM 197 CB TYR A 16 -15.326 4.334 2.443 1.00 0.00 C ATOM 198 CG TYR A 16 -14.861 4.378 3.881 1.00 0.00 C ATOM 199 CD1 TYR A 16 -15.330 3.461 4.812 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.951 5.338 4.308 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.909 3.498 6.127 1.00 0.00 C ATOM 202 CE2 TYR A 16 -13.522 5.382 5.621 1.00 0.00 C ATOM 203 CZ TYR A 16 -14.004 4.460 6.527 1.00 0.00 C ATOM 204 OH TYR A 16 -13.581 4.499 7.835 1.00 0.00 O ATOM 0 HA TYR A 16 -16.588 6.075 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -15.385 3.294 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.581 4.821 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -16.037 2.705 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.573 6.062 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -15.286 2.778 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.814 6.134 5.936 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.944 5.235 7.951 1.00 0.00 H new ATOM 214 N ALA A 17 -17.663 5.853 0.169 1.00 0.00 N ATOM 215 CA ALA A 17 -18.128 5.790 -1.211 1.00 0.00 C ATOM 216 C ALA A 17 -17.262 6.652 -2.123 1.00 0.00 C ATOM 217 O ALA A 17 -17.285 7.880 -2.040 1.00 0.00 O ATOM 218 CB ALA A 17 -19.584 6.225 -1.297 1.00 0.00 C ATOM 0 H ALA A 17 -17.784 6.763 0.613 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.048 4.757 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.919 6.173 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -20.198 5.565 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -19.680 7.249 -0.936 1.00 0.00 H new ATOM 224 N CYS A 18 -16.497 6.000 -2.992 1.00 0.00 N ATOM 225 CA CYS A 18 -15.621 6.706 -3.920 1.00 0.00 C ATOM 226 C CYS A 18 -16.385 7.795 -4.668 1.00 0.00 C ATOM 227 O CYS A 18 -17.556 7.625 -5.006 1.00 0.00 O ATOM 228 CB CYS A 18 -15.002 5.725 -4.917 1.00 0.00 C ATOM 229 SG CYS A 18 -13.487 6.338 -5.721 1.00 0.00 S ATOM 0 H CYS A 18 -16.466 4.984 -3.073 1.00 0.00 H new ATOM 0 HA CYS A 18 -14.825 7.176 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.774 4.793 -4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.739 5.491 -5.685 1.00 0.00 H new ATOM 0 HG CYS A 18 -13.003 5.414 -6.496 1.00 0.00 H new ATOM 234 N SER A 19 -15.713 8.913 -4.923 1.00 0.00 N ATOM 235 CA SER A 19 -16.329 10.031 -5.627 1.00 0.00 C ATOM 236 C SER A 19 -16.262 9.825 -7.138 1.00 0.00 C ATOM 237 O SER A 19 -17.275 9.904 -7.832 1.00 0.00 O ATOM 238 CB SER A 19 -15.638 11.343 -5.249 1.00 0.00 C ATOM 239 OG SER A 19 -16.153 11.859 -4.034 1.00 0.00 O ATOM 0 H SER A 19 -14.742 9.068 -4.652 1.00 0.00 H new ATOM 0 HA SER A 19 -17.377 10.082 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.565 11.178 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.777 12.074 -6.046 1.00 0.00 H new ATOM 0 HG SER A 19 -15.694 12.696 -3.814 1.00 0.00 H new ATOM 245 N HIS A 20 -15.060 9.560 -7.639 1.00 0.00 N ATOM 246 CA HIS A 20 -14.858 9.341 -9.067 1.00 0.00 C ATOM 247 C HIS A 20 -15.844 8.307 -9.603 1.00 0.00 C ATOM 248 O HIS A 20 -16.367 8.446 -10.709 1.00 0.00 O ATOM 249 CB HIS A 20 -13.425 8.884 -9.338 1.00 0.00 C ATOM 250 CG HIS A 20 -12.467 10.015 -9.556 1.00 0.00 C ATOM 251 ND1 HIS A 20 -12.321 11.059 -8.668 1.00 0.00 N ATOM 252 CD2 HIS A 20 -11.603 10.260 -10.568 1.00 0.00 C ATOM 253 CE1 HIS A 20 -11.409 11.899 -9.125 1.00 0.00 C ATOM 254 NE2 HIS A 20 -10.958 11.437 -10.277 1.00 0.00 N ATOM 0 H HIS A 20 -14.211 9.492 -7.078 1.00 0.00 H new ATOM 0 HA HIS A 20 -15.033 10.286 -9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.079 8.282 -8.497 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.418 8.238 -10.216 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.449 9.644 -11.442 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.087 12.808 -8.639 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -10.246 11.882 -10.856 1.00 0.00 H new ATOM 262 N CYS A 21 -16.092 7.268 -8.811 1.00 0.00 N ATOM 263 CA CYS A 21 -17.014 6.209 -9.205 1.00 0.00 C ATOM 264 C CYS A 21 -18.089 6.001 -8.143 1.00 0.00 C ATOM 265 O CYS A 21 -18.155 6.738 -7.159 1.00 0.00 O ATOM 266 CB CYS A 21 -16.252 4.903 -9.440 1.00 0.00 C ATOM 267 SG CYS A 21 -15.422 4.250 -7.955 1.00 0.00 S ATOM 0 H CYS A 21 -15.667 7.137 -7.893 1.00 0.00 H new ATOM 0 HA CYS A 21 -17.500 6.510 -10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.947 4.152 -9.815 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.507 5.065 -10.219 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.700 5.186 -7.415 1.00 0.00 H new ATOM 272 N ASP A 22 -18.928 4.992 -8.349 1.00 0.00 N ATOM 273 CA ASP A 22 -20.000 4.685 -7.408 1.00 0.00 C ATOM 274 C ASP A 22 -19.651 3.461 -6.568 1.00 0.00 C ATOM 275 O ASP A 22 -20.534 2.738 -6.107 1.00 0.00 O ATOM 276 CB ASP A 22 -21.312 4.447 -8.157 1.00 0.00 C ATOM 277 CG ASP A 22 -22.520 4.511 -7.244 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.633 5.491 -6.476 1.00 0.00 O ATOM 279 OD2 ASP A 22 -23.354 3.583 -7.296 1.00 0.00 O ATOM 0 H ASP A 22 -18.887 4.373 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.121 5.539 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.417 5.192 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.278 3.471 -8.642 1.00 0.00 H new ATOM 284 N LYS A 23 -18.356 3.233 -6.373 1.00 0.00 N ATOM 285 CA LYS A 23 -17.889 2.096 -5.588 1.00 0.00 C ATOM 286 C LYS A 23 -17.857 2.438 -4.102 1.00 0.00 C ATOM 287 O LYS A 23 -17.838 3.610 -3.723 1.00 0.00 O ATOM 288 CB LYS A 23 -16.495 1.668 -6.054 1.00 0.00 C ATOM 289 CG LYS A 23 -16.484 1.028 -7.431 1.00 0.00 C ATOM 290 CD LYS A 23 -16.514 -0.489 -7.342 1.00 0.00 C ATOM 291 CE LYS A 23 -17.937 -1.012 -7.222 1.00 0.00 C ATOM 292 NZ LYS A 23 -17.989 -2.499 -7.292 1.00 0.00 N ATOM 0 H LYS A 23 -17.611 3.821 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.585 1.271 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.840 2.540 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.080 0.965 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.344 1.377 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.593 1.344 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.042 -0.916 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.931 -0.816 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.369 -0.677 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.548 -0.589 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.976 -2.816 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.601 -2.817 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.427 -2.903 -6.516 1.00 0.00 H new ATOM 306 N THR A 24 -17.850 1.407 -3.262 1.00 0.00 N ATOM 307 CA THR A 24 -17.820 1.598 -1.818 1.00 0.00 C ATOM 308 C THR A 24 -16.886 0.595 -1.150 1.00 0.00 C ATOM 309 O THR A 24 -16.601 -0.467 -1.704 1.00 0.00 O ATOM 310 CB THR A 24 -19.226 1.461 -1.204 1.00 0.00 C ATOM 311 OG1 THR A 24 -19.701 0.120 -1.362 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.199 2.430 -1.859 1.00 0.00 C ATOM 0 H THR A 24 -17.865 0.431 -3.558 1.00 0.00 H new ATOM 0 HA THR A 24 -17.451 2.608 -1.640 1.00 0.00 H new ATOM 0 HB THR A 24 -19.160 1.699 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.595 0.041 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.185 2.315 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.850 3.452 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.260 2.218 -2.926 1.00 0.00 H new ATOM 320 N PHE A 25 -16.413 0.938 0.044 1.00 0.00 N ATOM 321 CA PHE A 25 -15.511 0.067 0.788 1.00 0.00 C ATOM 322 C PHE A 25 -15.707 0.237 2.291 1.00 0.00 C ATOM 323 O PHE A 25 -16.052 1.320 2.764 1.00 0.00 O ATOM 324 CB PHE A 25 -14.057 0.365 0.415 1.00 0.00 C ATOM 325 CG PHE A 25 -13.847 0.576 -1.058 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.351 1.702 -1.689 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.146 -0.352 -1.811 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.160 1.899 -3.043 1.00 0.00 C ATOM 329 CE2 PHE A 25 -12.951 -0.160 -3.165 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.460 0.966 -3.783 1.00 0.00 C ATOM 0 H PHE A 25 -16.640 1.813 0.517 1.00 0.00 H new ATOM 0 HA PHE A 25 -15.743 -0.965 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.728 1.254 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.428 -0.460 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.900 2.434 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.748 -1.235 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.558 2.781 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.401 -0.890 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.311 1.116 -4.842 1.00 0.00 H new ATOM 340 N ARG A 26 -15.485 -0.840 3.037 1.00 0.00 N ATOM 341 CA ARG A 26 -15.639 -0.811 4.486 1.00 0.00 C ATOM 342 C ARG A 26 -14.455 -0.109 5.145 1.00 0.00 C ATOM 343 O ARG A 26 -14.632 0.734 6.023 1.00 0.00 O ATOM 344 CB ARG A 26 -15.771 -2.233 5.035 1.00 0.00 C ATOM 345 CG ARG A 26 -16.407 -2.297 6.414 1.00 0.00 C ATOM 346 CD ARG A 26 -16.382 -3.711 6.974 1.00 0.00 C ATOM 347 NE ARG A 26 -17.450 -3.934 7.945 1.00 0.00 N ATOM 348 CZ ARG A 26 -17.420 -3.471 9.189 1.00 0.00 C ATOM 349 NH1 ARG A 26 -16.382 -2.762 9.612 1.00 0.00 N ATOM 350 NH2 ARG A 26 -18.430 -3.716 10.014 1.00 0.00 N ATOM 0 H ARG A 26 -15.198 -1.744 2.662 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.546 -0.253 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.366 -2.827 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.782 -2.690 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.878 -1.627 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.437 -1.945 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.480 -4.426 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.418 -3.897 7.447 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.263 -4.475 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.604 -2.571 8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.362 -2.408 10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.230 -4.261 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.406 -3.360 10.970 1.00 0.00 H new ATOM 364 N GLN A 27 -13.248 -0.464 4.714 1.00 0.00 N ATOM 365 CA GLN A 27 -12.036 0.131 5.263 1.00 0.00 C ATOM 366 C GLN A 27 -11.494 1.215 4.337 1.00 0.00 C ATOM 367 O GLN A 27 -11.158 0.949 3.183 1.00 0.00 O ATOM 368 CB GLN A 27 -10.971 -0.944 5.487 1.00 0.00 C ATOM 369 CG GLN A 27 -11.122 -1.685 6.806 1.00 0.00 C ATOM 370 CD GLN A 27 -10.964 -0.775 8.008 1.00 0.00 C ATOM 371 OE1 GLN A 27 -10.565 0.383 7.877 1.00 0.00 O ATOM 372 NE2 GLN A 27 -11.278 -1.294 9.189 1.00 0.00 N ATOM 0 H GLN A 27 -13.084 -1.160 3.987 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.287 0.588 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.015 -1.663 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.985 -0.480 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.102 -2.160 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.380 -2.481 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.605 -2.258 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.193 -0.728 10.034 1.00 0.00 H new ATOM 381 N LYS A 28 -11.412 2.438 4.850 1.00 0.00 N ATOM 382 CA LYS A 28 -10.910 3.563 4.071 1.00 0.00 C ATOM 383 C LYS A 28 -9.722 3.143 3.211 1.00 0.00 C ATOM 384 O LYS A 28 -9.627 3.518 2.043 1.00 0.00 O ATOM 385 CB LYS A 28 -10.503 4.711 4.998 1.00 0.00 C ATOM 386 CG LYS A 28 -10.359 6.045 4.286 1.00 0.00 C ATOM 387 CD LYS A 28 -10.066 7.170 5.265 1.00 0.00 C ATOM 388 CE LYS A 28 -8.572 7.330 5.499 1.00 0.00 C ATOM 389 NZ LYS A 28 -7.910 8.057 4.380 1.00 0.00 N ATOM 0 H LYS A 28 -11.687 2.675 5.803 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.710 3.902 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.246 4.809 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.557 4.461 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.556 5.982 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.275 6.267 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.477 8.104 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.564 6.968 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.406 7.870 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.115 6.347 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.893 8.146 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.046 7.529 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.328 9.005 4.286 1.00 0.00 H new ATOM 403 N GLN A 29 -8.820 2.362 3.798 1.00 0.00 N ATOM 404 CA GLN A 29 -7.639 1.891 3.084 1.00 0.00 C ATOM 405 C GLN A 29 -8.018 1.321 1.721 1.00 0.00 C ATOM 406 O GLN A 29 -7.526 1.776 0.688 1.00 0.00 O ATOM 407 CB GLN A 29 -6.908 0.830 3.909 1.00 0.00 C ATOM 408 CG GLN A 29 -5.695 0.243 3.207 1.00 0.00 C ATOM 409 CD GLN A 29 -4.554 1.234 3.086 1.00 0.00 C ATOM 410 OE1 GLN A 29 -4.205 1.665 1.987 1.00 0.00 O ATOM 411 NE2 GLN A 29 -3.966 1.602 4.219 1.00 0.00 N ATOM 0 H GLN A 29 -8.885 2.043 4.765 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.975 2.742 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.592 1.271 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.603 0.026 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.352 -0.635 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.984 -0.095 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.288 1.220 5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.193 2.267 4.200 1.00 0.00 H new ATOM 420 N LEU A 30 -8.894 0.322 1.726 1.00 0.00 N ATOM 421 CA LEU A 30 -9.338 -0.312 0.490 1.00 0.00 C ATOM 422 C LEU A 30 -9.762 0.735 -0.536 1.00 0.00 C ATOM 423 O LEU A 30 -9.364 0.674 -1.701 1.00 0.00 O ATOM 424 CB LEU A 30 -10.501 -1.265 0.772 1.00 0.00 C ATOM 425 CG LEU A 30 -10.233 -2.365 1.800 1.00 0.00 C ATOM 426 CD1 LEU A 30 -11.516 -3.111 2.131 1.00 0.00 C ATOM 427 CD2 LEU A 30 -9.171 -3.327 1.288 1.00 0.00 C ATOM 0 H LEU A 30 -9.311 -0.066 2.572 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.502 -0.879 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.352 -0.676 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.794 -1.736 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.862 -1.899 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.305 -3.890 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.246 -2.414 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.917 -3.565 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.993 -4.103 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.513 -3.786 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.245 -2.782 1.104 1.00 0.00 H new ATOM 439 N LEU A 31 -10.569 1.694 -0.097 1.00 0.00 N ATOM 440 CA LEU A 31 -11.044 2.756 -0.977 1.00 0.00 C ATOM 441 C LEU A 31 -9.890 3.639 -1.439 1.00 0.00 C ATOM 442 O LEU A 31 -9.942 4.234 -2.515 1.00 0.00 O ATOM 443 CB LEU A 31 -12.096 3.606 -0.261 1.00 0.00 C ATOM 444 CG LEU A 31 -12.303 5.018 -0.807 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.892 4.968 -2.209 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.200 5.824 0.122 1.00 0.00 C ATOM 0 H LEU A 31 -10.908 1.758 0.863 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.495 2.292 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.049 3.079 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.819 3.682 0.790 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.333 5.511 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.032 5.983 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.213 4.430 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.854 4.455 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.336 6.827 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.169 5.333 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.738 5.890 1.107 1.00 0.00 H new ATOM 458 N ASP A 32 -8.847 3.717 -0.619 1.00 0.00 N ATOM 459 CA ASP A 32 -7.677 4.524 -0.945 1.00 0.00 C ATOM 460 C ASP A 32 -6.839 3.854 -2.029 1.00 0.00 C ATOM 461 O ASP A 32 -6.433 4.494 -2.998 1.00 0.00 O ATOM 462 CB ASP A 32 -6.826 4.755 0.305 1.00 0.00 C ATOM 463 CG ASP A 32 -5.816 5.870 0.119 1.00 0.00 C ATOM 464 OD1 ASP A 32 -4.729 5.600 -0.434 1.00 0.00 O ATOM 465 OD2 ASP A 32 -6.112 7.013 0.527 1.00 0.00 O ATOM 0 H ASP A 32 -8.788 3.231 0.276 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.024 5.486 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.477 4.995 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.303 3.833 0.560 1.00 0.00 H new ATOM 470 N MET A 33 -6.582 2.561 -1.856 1.00 0.00 N ATOM 471 CA MET A 33 -5.792 1.804 -2.820 1.00 0.00 C ATOM 472 C MET A 33 -6.572 1.591 -4.114 1.00 0.00 C ATOM 473 O MET A 33 -5.988 1.514 -5.196 1.00 0.00 O ATOM 474 CB MET A 33 -5.385 0.453 -2.229 1.00 0.00 C ATOM 475 CG MET A 33 -6.564 -0.447 -1.899 1.00 0.00 C ATOM 476 SD MET A 33 -6.083 -2.170 -1.678 1.00 0.00 S ATOM 477 CE MET A 33 -7.094 -2.967 -2.923 1.00 0.00 C ATOM 0 H MET A 33 -6.909 2.016 -1.058 1.00 0.00 H new ATOM 0 HA MET A 33 -4.894 2.379 -3.047 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.733 -0.061 -2.935 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.803 0.623 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.046 -0.089 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.302 -0.380 -2.698 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.908 -4.041 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.147 -2.778 -2.712 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.843 -2.568 -3.906 1.00 0.00 H new ATOM 487 N HIS A 34 -7.892 1.497 -3.996 1.00 0.00 N ATOM 488 CA HIS A 34 -8.751 1.293 -5.157 1.00 0.00 C ATOM 489 C HIS A 34 -8.574 2.422 -6.168 1.00 0.00 C ATOM 490 O HIS A 34 -8.359 2.178 -7.356 1.00 0.00 O ATOM 491 CB HIS A 34 -10.215 1.204 -4.726 1.00 0.00 C ATOM 492 CG HIS A 34 -11.176 1.702 -5.761 1.00 0.00 C ATOM 493 ND1 HIS A 34 -11.828 0.869 -6.645 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.596 2.957 -6.049 1.00 0.00 C ATOM 495 CE1 HIS A 34 -12.606 1.590 -7.433 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.483 2.860 -7.092 1.00 0.00 N ATOM 0 H HIS A 34 -8.391 1.559 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.462 0.355 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.453 0.167 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.351 1.779 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.290 3.865 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.236 1.206 -8.222 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -12.968 3.642 -7.532 1.00 0.00 H new ATOM 504 N PHE A 35 -8.667 3.658 -5.690 1.00 0.00 N ATOM 505 CA PHE A 35 -8.520 4.825 -6.552 1.00 0.00 C ATOM 506 C PHE A 35 -7.172 4.806 -7.267 1.00 0.00 C ATOM 507 O PHE A 35 -7.103 4.916 -8.492 1.00 0.00 O ATOM 508 CB PHE A 35 -8.658 6.111 -5.735 1.00 0.00 C ATOM 509 CG PHE A 35 -8.666 7.357 -6.574 1.00 0.00 C ATOM 510 CD1 PHE A 35 -7.531 7.750 -7.265 1.00 0.00 C ATOM 511 CD2 PHE A 35 -9.808 8.134 -6.672 1.00 0.00 C ATOM 512 CE1 PHE A 35 -7.536 8.896 -8.037 1.00 0.00 C ATOM 513 CE2 PHE A 35 -9.819 9.282 -7.443 1.00 0.00 C ATOM 514 CZ PHE A 35 -8.682 9.662 -8.127 1.00 0.00 C ATOM 0 H PHE A 35 -8.844 3.878 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.311 4.793 -7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.580 6.067 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.836 6.168 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.633 7.154 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.701 7.840 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.645 9.193 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.716 9.880 -7.510 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.688 10.557 -8.732 1.00 0.00 H new ATOM 524 N LYS A 36 -6.101 4.665 -6.494 1.00 0.00 N ATOM 525 CA LYS A 36 -4.753 4.630 -7.050 1.00 0.00 C ATOM 526 C LYS A 36 -4.545 3.375 -7.892 1.00 0.00 C ATOM 527 O LYS A 36 -3.514 3.221 -8.547 1.00 0.00 O ATOM 528 CB LYS A 36 -3.714 4.683 -5.928 1.00 0.00 C ATOM 529 CG LYS A 36 -3.317 6.095 -5.533 1.00 0.00 C ATOM 530 CD LYS A 36 -2.580 6.803 -6.658 1.00 0.00 C ATOM 531 CE LYS A 36 -1.996 8.129 -6.194 1.00 0.00 C ATOM 532 NZ LYS A 36 -3.057 9.084 -5.770 1.00 0.00 N ATOM 0 H LYS A 36 -6.140 4.573 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.629 5.502 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.110 4.168 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.824 4.139 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.208 6.663 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.684 6.061 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.780 6.162 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.263 6.976 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.312 7.954 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.411 8.571 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.623 9.992 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.724 9.232 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.566 8.696 -4.950 1.00 0.00 H new ATOM 546 N ARG A 37 -5.529 2.483 -7.870 1.00 0.00 N ATOM 547 CA ARG A 37 -5.453 1.242 -8.631 1.00 0.00 C ATOM 548 C ARG A 37 -6.182 1.376 -9.964 1.00 0.00 C ATOM 549 O ARG A 37 -5.576 1.262 -11.030 1.00 0.00 O ATOM 550 CB ARG A 37 -6.049 0.087 -7.825 1.00 0.00 C ATOM 551 CG ARG A 37 -6.136 -1.217 -8.601 1.00 0.00 C ATOM 552 CD ARG A 37 -7.008 -2.236 -7.884 1.00 0.00 C ATOM 553 NE ARG A 37 -7.311 -3.388 -8.729 1.00 0.00 N ATOM 554 CZ ARG A 37 -7.782 -4.539 -8.261 1.00 0.00 C ATOM 555 NH1 ARG A 37 -8.002 -4.690 -6.962 1.00 0.00 N ATOM 556 NH2 ARG A 37 -8.033 -5.541 -9.093 1.00 0.00 N ATOM 0 H ARG A 37 -6.389 2.596 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.402 1.032 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.445 -0.071 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.047 0.367 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.542 -1.024 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.135 -1.626 -8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.502 -2.573 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.938 -1.761 -7.571 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.152 -3.304 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.810 -3.922 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.364 -5.575 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.864 -5.428 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.395 -6.424 -8.733 1.00 0.00 H new ATOM 570 N TYR A 38 -7.487 1.618 -9.897 1.00 0.00 N ATOM 571 CA TYR A 38 -8.300 1.765 -11.098 1.00 0.00 C ATOM 572 C TYR A 38 -8.047 3.113 -11.765 1.00 0.00 C ATOM 573 O TYR A 38 -7.518 3.181 -12.875 1.00 0.00 O ATOM 574 CB TYR A 38 -9.784 1.623 -10.756 1.00 0.00 C ATOM 575 CG TYR A 38 -10.217 0.193 -10.525 1.00 0.00 C ATOM 576 CD1 TYR A 38 -9.712 -0.544 -9.461 1.00 0.00 C ATOM 577 CD2 TYR A 38 -11.132 -0.422 -11.372 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.105 -1.851 -9.246 1.00 0.00 C ATOM 579 CE2 TYR A 38 -11.531 -1.728 -11.164 1.00 0.00 C ATOM 580 CZ TYR A 38 -11.015 -2.438 -10.100 1.00 0.00 C ATOM 581 OH TYR A 38 -11.409 -3.740 -9.891 1.00 0.00 O ATOM 0 H TYR A 38 -8.004 1.716 -9.023 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.018 0.976 -11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.000 2.208 -9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.377 2.047 -11.566 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.000 -0.087 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -11.538 0.131 -12.207 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.702 -2.410 -8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.243 -2.191 -11.831 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.054 -4.001 -10.581 1.00 0.00 H new ATOM 591 N HIS A 39 -8.430 4.186 -11.080 1.00 0.00 N ATOM 592 CA HIS A 39 -8.245 5.535 -11.605 1.00 0.00 C ATOM 593 C HIS A 39 -6.774 5.801 -11.911 1.00 0.00 C ATOM 594 O HIS A 39 -6.441 6.738 -12.637 1.00 0.00 O ATOM 595 CB HIS A 39 -8.766 6.569 -10.606 1.00 0.00 C ATOM 596 CG HIS A 39 -10.217 6.404 -10.275 1.00 0.00 C ATOM 597 ND1 HIS A 39 -11.206 6.343 -11.234 1.00 0.00 N ATOM 598 CD2 HIS A 39 -10.845 6.285 -9.081 1.00 0.00 C ATOM 599 CE1 HIS A 39 -12.379 6.196 -10.645 1.00 0.00 C ATOM 600 NE2 HIS A 39 -12.187 6.157 -9.338 1.00 0.00 N ATOM 0 H HIS A 39 -8.870 4.148 -10.161 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.812 5.619 -12.532 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.182 6.501 -9.688 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.606 7.568 -11.012 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.377 6.290 -8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.333 6.121 -11.146 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.918 6.049 -8.634 1.00 0.00 H new ATOM 608 N ASP A 40 -5.899 4.973 -11.352 1.00 0.00 N ATOM 609 CA ASP A 40 -4.464 5.119 -11.565 1.00 0.00 C ATOM 610 C ASP A 40 -3.804 3.759 -11.773 1.00 0.00 C ATOM 611 O ASP A 40 -3.824 2.892 -10.898 1.00 0.00 O ATOM 612 CB ASP A 40 -3.820 5.836 -10.378 1.00 0.00 C ATOM 613 CG ASP A 40 -2.392 6.257 -10.660 1.00 0.00 C ATOM 614 OD1 ASP A 40 -1.823 5.786 -11.668 1.00 0.00 O ATOM 615 OD2 ASP A 40 -1.842 7.056 -9.874 1.00 0.00 O ATOM 0 H ASP A 40 -6.158 4.193 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.315 5.717 -12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.411 6.716 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.837 5.179 -9.508 1.00 0.00 H new ATOM 620 N PRO A 41 -3.206 3.565 -12.958 1.00 0.00 N ATOM 621 CA PRO A 41 -2.530 2.313 -13.308 1.00 0.00 C ATOM 622 C PRO A 41 -1.244 2.107 -12.515 1.00 0.00 C ATOM 623 O PRO A 41 -0.598 1.066 -12.622 1.00 0.00 O ATOM 624 CB PRO A 41 -2.219 2.482 -14.797 1.00 0.00 C ATOM 625 CG PRO A 41 -2.152 3.956 -15.005 1.00 0.00 C ATOM 626 CD PRO A 41 -3.144 4.555 -14.047 1.00 0.00 C ATOM 0 HA PRO A 41 -3.145 1.441 -13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.277 2.002 -15.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.993 2.029 -15.417 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.147 4.332 -14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.398 4.216 -16.035 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.816 5.530 -13.686 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.118 4.700 -14.515 1.00 0.00 H new ATOM 634 N ASN A 42 -0.879 3.107 -11.718 1.00 0.00 N ATOM 635 CA ASN A 42 0.331 3.035 -10.907 1.00 0.00 C ATOM 636 C ASN A 42 0.235 1.903 -9.887 1.00 0.00 C ATOM 637 O ASN A 42 1.027 0.961 -9.914 1.00 0.00 O ATOM 638 CB ASN A 42 0.568 4.365 -10.188 1.00 0.00 C ATOM 639 CG ASN A 42 1.487 5.286 -10.967 1.00 0.00 C ATOM 640 OD1 ASN A 42 2.708 5.230 -10.823 1.00 0.00 O ATOM 641 ND2 ASN A 42 0.901 6.141 -11.798 1.00 0.00 N ATOM 0 H ASN A 42 -1.404 3.976 -11.617 1.00 0.00 H new ATOM 0 HA ASN A 42 1.172 2.833 -11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.388 4.863 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.999 4.172 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.467 6.786 -12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.115 6.152 -11.885 1.00 0.00 H new ATOM 708 N ALA A 47 -1.234 -10.302 -7.419 1.00 0.00 N ATOM 709 CA ALA A 47 -2.149 -11.412 -7.652 1.00 0.00 C ATOM 710 C ALA A 47 -1.443 -12.568 -8.353 1.00 0.00 C ATOM 711 O ALA A 47 -1.152 -12.499 -9.547 1.00 0.00 O ATOM 712 CB ALA A 47 -3.345 -10.949 -8.471 1.00 0.00 C ATOM 0 HA ALA A 47 -2.501 -11.768 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.019 -11.789 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.872 -10.161 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.001 -10.564 -9.431 1.00 0.00 H new ATOM 718 N PHE A 48 -1.168 -13.630 -7.602 1.00 0.00 N ATOM 719 CA PHE A 48 -0.494 -14.800 -8.151 1.00 0.00 C ATOM 720 C PHE A 48 -1.330 -16.059 -7.940 1.00 0.00 C ATOM 721 O PHE A 48 -1.437 -16.567 -6.824 1.00 0.00 O ATOM 722 CB PHE A 48 0.881 -14.974 -7.503 1.00 0.00 C ATOM 723 CG PHE A 48 1.789 -13.792 -7.697 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.610 -12.636 -6.955 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.820 -13.839 -8.621 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.443 -11.547 -7.132 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.656 -12.753 -8.802 1.00 0.00 C ATOM 728 CZ PHE A 48 3.468 -11.607 -8.056 1.00 0.00 C ATOM 0 H PHE A 48 -1.402 -13.704 -6.612 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.367 -14.645 -9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.751 -15.151 -6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.359 -15.862 -7.917 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.811 -12.585 -6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.972 -14.734 -9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.293 -10.651 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.456 -12.801 -9.526 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.121 -10.758 -8.195 1.00 0.00 H new ATOM 738 N VAL A 49 -1.922 -16.557 -9.021 1.00 0.00 N ATOM 739 CA VAL A 49 -2.749 -17.756 -8.956 1.00 0.00 C ATOM 740 C VAL A 49 -1.947 -18.998 -9.330 1.00 0.00 C ATOM 741 O VAL A 49 -1.195 -18.994 -10.305 1.00 0.00 O ATOM 742 CB VAL A 49 -3.970 -17.647 -9.888 1.00 0.00 C ATOM 743 CG1 VAL A 49 -4.640 -19.003 -10.051 1.00 0.00 C ATOM 744 CG2 VAL A 49 -4.955 -16.617 -9.358 1.00 0.00 C ATOM 0 H VAL A 49 -1.844 -16.148 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.094 -17.847 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.628 -17.317 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.501 -18.906 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.930 -19.710 -10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.970 -19.365 -9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.811 -16.553 -10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.293 -16.914 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.467 -15.644 -9.299 1.00 0.00 H new ATOM 754 N CYS A 50 -2.112 -20.059 -8.548 1.00 0.00 N ATOM 755 CA CYS A 50 -1.404 -21.309 -8.795 1.00 0.00 C ATOM 756 C CYS A 50 -1.621 -21.783 -10.230 1.00 0.00 C ATOM 757 O CYS A 50 -2.403 -21.195 -10.977 1.00 0.00 O ATOM 758 CB CYS A 50 -1.870 -22.387 -7.815 1.00 0.00 C ATOM 759 SG CYS A 50 -0.622 -23.668 -7.469 1.00 0.00 S ATOM 0 H CYS A 50 -2.730 -20.078 -7.737 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.339 -21.129 -8.647 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.156 -21.911 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.764 -22.865 -8.215 1.00 0.00 H new ATOM 0 HG CYS A 50 0.506 -23.102 -7.158 1.00 0.00 H new ATOM 764 N SER A 51 -0.924 -22.850 -10.607 1.00 0.00 N ATOM 765 CA SER A 51 -1.037 -23.400 -11.953 1.00 0.00 C ATOM 766 C SER A 51 -1.351 -24.893 -11.904 1.00 0.00 C ATOM 767 O SER A 51 -1.655 -25.509 -12.925 1.00 0.00 O ATOM 768 CB SER A 51 0.257 -23.165 -12.734 1.00 0.00 C ATOM 769 OG SER A 51 1.327 -23.915 -12.186 1.00 0.00 O ATOM 0 H SER A 51 -0.275 -23.351 -10.000 1.00 0.00 H new ATOM 0 HA SER A 51 -1.856 -22.890 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.111 -23.443 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.507 -22.104 -12.719 1.00 0.00 H new ATOM 0 HG SER A 51 2.142 -23.749 -12.704 1.00 0.00 H new ATOM 775 N LYS A 52 -1.276 -25.468 -10.708 1.00 0.00 N ATOM 776 CA LYS A 52 -1.553 -26.887 -10.523 1.00 0.00 C ATOM 777 C LYS A 52 -3.010 -27.111 -10.132 1.00 0.00 C ATOM 778 O LYS A 52 -3.663 -28.028 -10.630 1.00 0.00 O ATOM 779 CB LYS A 52 -0.630 -27.472 -9.451 1.00 0.00 C ATOM 780 CG LYS A 52 0.847 -27.328 -9.775 1.00 0.00 C ATOM 781 CD LYS A 52 1.701 -28.227 -8.896 1.00 0.00 C ATOM 782 CE LYS A 52 1.932 -29.583 -9.545 1.00 0.00 C ATOM 783 NZ LYS A 52 0.672 -30.369 -9.650 1.00 0.00 N ATOM 0 H LYS A 52 -1.026 -24.972 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.368 -27.394 -11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.834 -26.980 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.863 -28.529 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.016 -27.575 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.151 -26.290 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.660 -27.746 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.214 -28.363 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.356 -29.442 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.663 -30.144 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.900 -31.372 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.126 -30.269 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.108 -30.016 -10.449 1.00 0.00 H new ATOM 797 N CYS A 53 -3.514 -26.266 -9.238 1.00 0.00 N ATOM 798 CA CYS A 53 -4.895 -26.371 -8.781 1.00 0.00 C ATOM 799 C CYS A 53 -5.702 -25.146 -9.203 1.00 0.00 C ATOM 800 O CYS A 53 -6.802 -25.270 -9.739 1.00 0.00 O ATOM 801 CB CYS A 53 -4.939 -26.525 -7.259 1.00 0.00 C ATOM 802 SG CYS A 53 -4.167 -25.148 -6.350 1.00 0.00 S ATOM 0 H CYS A 53 -2.987 -25.501 -8.816 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.339 -27.253 -9.242 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.978 -26.617 -6.944 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.439 -27.454 -6.984 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.256 -25.368 -5.072 1.00 0.00 H new ATOM 807 N GLY A 54 -5.145 -23.964 -8.958 1.00 0.00 N ATOM 808 CA GLY A 54 -5.826 -22.734 -9.319 1.00 0.00 C ATOM 809 C GLY A 54 -6.132 -21.866 -8.115 1.00 0.00 C ATOM 810 O GLY A 54 -7.053 -21.050 -8.146 1.00 0.00 O ATOM 0 H GLY A 54 -4.235 -23.836 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.208 -22.173 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.755 -22.975 -9.835 1.00 0.00 H new ATOM 814 N LYS A 55 -5.360 -22.043 -7.048 1.00 0.00 N ATOM 815 CA LYS A 55 -5.552 -21.270 -5.827 1.00 0.00 C ATOM 816 C LYS A 55 -5.053 -19.839 -6.004 1.00 0.00 C ATOM 817 O LYS A 55 -4.464 -19.498 -7.030 1.00 0.00 O ATOM 818 CB LYS A 55 -4.823 -21.935 -4.658 1.00 0.00 C ATOM 819 CG LYS A 55 -5.675 -22.941 -3.903 1.00 0.00 C ATOM 820 CD LYS A 55 -4.946 -23.487 -2.687 1.00 0.00 C ATOM 821 CE LYS A 55 -5.881 -24.279 -1.785 1.00 0.00 C ATOM 822 NZ LYS A 55 -6.929 -23.413 -1.177 1.00 0.00 N ATOM 0 H LYS A 55 -4.595 -22.716 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.620 -21.239 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.932 -22.437 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.486 -21.164 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.605 -22.468 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.944 -23.763 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.124 -24.125 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.507 -22.663 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.355 -25.073 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.303 -24.759 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.334 -23.890 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.506 -22.509 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.680 -23.235 -1.874 1.00 0.00 H new ATOM 836 N THR A 56 -5.290 -19.006 -4.996 1.00 0.00 N ATOM 837 CA THR A 56 -4.864 -17.612 -5.040 1.00 0.00 C ATOM 838 C THR A 56 -3.772 -17.339 -4.012 1.00 0.00 C ATOM 839 O THR A 56 -3.787 -17.894 -2.913 1.00 0.00 O ATOM 840 CB THR A 56 -6.044 -16.656 -4.786 1.00 0.00 C ATOM 841 OG1 THR A 56 -6.866 -17.162 -3.729 1.00 0.00 O ATOM 842 CG2 THR A 56 -6.879 -16.481 -6.045 1.00 0.00 C ATOM 0 H THR A 56 -5.775 -19.272 -4.139 1.00 0.00 H new ATOM 0 HA THR A 56 -4.470 -17.433 -6.040 1.00 0.00 H new ATOM 0 HB THR A 56 -5.641 -15.685 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.613 -16.547 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.707 -15.802 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.257 -16.068 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.272 -17.448 -6.358 1.00 0.00 H new ATOM 850 N PHE A 57 -2.827 -16.478 -4.375 1.00 0.00 N ATOM 851 CA PHE A 57 -1.726 -16.130 -3.483 1.00 0.00 C ATOM 852 C PHE A 57 -1.336 -14.665 -3.647 1.00 0.00 C ATOM 853 O PHE A 57 -1.174 -14.174 -4.765 1.00 0.00 O ATOM 854 CB PHE A 57 -0.517 -17.026 -3.758 1.00 0.00 C ATOM 855 CG PHE A 57 -0.761 -18.475 -3.447 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.409 -19.293 -4.358 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.343 -19.019 -2.243 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.636 -20.627 -4.076 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.566 -20.353 -1.955 1.00 0.00 C ATOM 860 CZ PHE A 57 -1.214 -21.157 -2.872 1.00 0.00 C ATOM 0 H PHE A 57 -2.801 -16.008 -5.280 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.059 -16.286 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.235 -16.930 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.328 -16.673 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.741 -18.883 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.163 -18.394 -1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.142 -21.254 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.234 -20.766 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.391 -22.199 -2.648 1.00 0.00 H new ATOM 870 N THR A 58 -1.185 -13.969 -2.524 1.00 0.00 N ATOM 871 CA THR A 58 -0.815 -12.559 -2.542 1.00 0.00 C ATOM 872 C THR A 58 0.693 -12.385 -2.406 1.00 0.00 C ATOM 873 O THR A 58 1.166 -11.362 -1.910 1.00 0.00 O ATOM 874 CB THR A 58 -1.515 -11.780 -1.413 1.00 0.00 C ATOM 875 OG1 THR A 58 -1.147 -12.325 -0.141 1.00 0.00 O ATOM 876 CG2 THR A 58 -3.027 -11.834 -1.575 1.00 0.00 C ATOM 0 H THR A 58 -1.313 -14.359 -1.590 1.00 0.00 H new ATOM 0 HA THR A 58 -1.139 -12.159 -3.503 1.00 0.00 H new ATOM 0 HB THR A 58 -1.196 -10.739 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.595 -11.823 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.500 -11.277 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.306 -11.392 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.359 -12.872 -1.544 1.00 0.00 H new ATOM 884 N ARG A 59 1.443 -13.389 -2.849 1.00 0.00 N ATOM 885 CA ARG A 59 2.898 -13.346 -2.775 1.00 0.00 C ATOM 886 C ARG A 59 3.522 -14.305 -3.785 1.00 0.00 C ATOM 887 O ARG A 59 3.315 -15.516 -3.715 1.00 0.00 O ATOM 888 CB ARG A 59 3.369 -13.698 -1.363 1.00 0.00 C ATOM 889 CG ARG A 59 2.879 -12.729 -0.299 1.00 0.00 C ATOM 890 CD ARG A 59 3.617 -12.927 1.016 1.00 0.00 C ATOM 891 NE ARG A 59 3.134 -12.023 2.056 1.00 0.00 N ATOM 892 CZ ARG A 59 3.331 -12.223 3.355 1.00 0.00 C ATOM 893 NH1 ARG A 59 4.000 -13.291 3.770 1.00 0.00 N ATOM 894 NH2 ARG A 59 2.860 -11.355 4.241 1.00 0.00 N ATOM 0 H ARG A 59 1.067 -14.242 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 59 3.219 -12.333 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.025 -14.702 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.459 -13.721 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.019 -11.705 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.809 -12.869 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.497 -13.958 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.684 -12.764 0.861 1.00 0.00 H new ATOM 0 HE ARG A 59 2.617 -11.192 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.364 -13.960 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.150 -13.443 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.346 -10.533 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.012 -11.510 5.238 1.00 0.00 H new ATOM 908 N ARG A 60 4.286 -13.754 -4.722 1.00 0.00 N ATOM 909 CA ARG A 60 4.939 -14.560 -5.747 1.00 0.00 C ATOM 910 C ARG A 60 5.783 -15.663 -5.115 1.00 0.00 C ATOM 911 O ARG A 60 5.623 -16.840 -5.435 1.00 0.00 O ATOM 912 CB ARG A 60 5.816 -13.678 -6.637 1.00 0.00 C ATOM 913 CG ARG A 60 6.125 -14.296 -7.991 1.00 0.00 C ATOM 914 CD ARG A 60 7.195 -15.371 -7.883 1.00 0.00 C ATOM 915 NE ARG A 60 8.502 -14.810 -7.552 1.00 0.00 N ATOM 916 CZ ARG A 60 9.323 -14.278 -8.451 1.00 0.00 C ATOM 917 NH1 ARG A 60 8.972 -14.235 -9.729 1.00 0.00 N ATOM 918 NH2 ARG A 60 10.496 -13.788 -8.073 1.00 0.00 N ATOM 0 H ARG A 60 4.468 -12.753 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 60 4.164 -15.024 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.318 -12.721 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.753 -13.471 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.216 -14.727 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.457 -13.519 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.907 -16.094 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.261 -15.913 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 60 8.801 -14.828 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.070 -14.611 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.603 -13.826 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.769 -13.819 -7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.125 -13.380 -8.765 1.00 0.00 H new ATOM 932 N ASN A 61 6.681 -15.273 -4.217 1.00 0.00 N ATOM 933 CA ASN A 61 7.551 -16.229 -3.541 1.00 0.00 C ATOM 934 C ASN A 61 6.741 -17.378 -2.949 1.00 0.00 C ATOM 935 O ASN A 61 6.989 -18.547 -3.248 1.00 0.00 O ATOM 936 CB ASN A 61 8.349 -15.532 -2.438 1.00 0.00 C ATOM 937 CG ASN A 61 9.201 -14.396 -2.970 1.00 0.00 C ATOM 938 OD1 ASN A 61 10.240 -14.622 -3.590 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.764 -13.165 -2.728 1.00 0.00 N ATOM 0 H ASN A 61 6.826 -14.302 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 61 8.242 -16.637 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.662 -15.145 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.989 -16.261 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.296 -12.361 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.897 -13.024 -2.210 1.00 0.00 H new ATOM 946 N THR A 62 5.769 -17.038 -2.108 1.00 0.00 N ATOM 947 CA THR A 62 4.922 -18.041 -1.474 1.00 0.00 C ATOM 948 C THR A 62 4.286 -18.959 -2.511 1.00 0.00 C ATOM 949 O THR A 62 4.484 -20.174 -2.482 1.00 0.00 O ATOM 950 CB THR A 62 3.809 -17.386 -0.634 1.00 0.00 C ATOM 951 OG1 THR A 62 4.385 -16.580 0.399 1.00 0.00 O ATOM 952 CG2 THR A 62 2.905 -18.441 -0.017 1.00 0.00 C ATOM 0 H THR A 62 5.549 -16.076 -1.850 1.00 0.00 H new ATOM 0 HA THR A 62 5.565 -18.628 -0.818 1.00 0.00 H new ATOM 0 HB THR A 62 3.210 -16.757 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.671 -16.166 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.127 -17.955 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.445 -19.033 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.494 -19.093 0.628 1.00 0.00 H new ATOM 960 N MET A 63 3.523 -18.372 -3.427 1.00 0.00 N ATOM 961 CA MET A 63 2.860 -19.139 -4.475 1.00 0.00 C ATOM 962 C MET A 63 3.825 -20.133 -5.114 1.00 0.00 C ATOM 963 O MET A 63 3.631 -21.345 -5.025 1.00 0.00 O ATOM 964 CB MET A 63 2.294 -18.201 -5.543 1.00 0.00 C ATOM 965 CG MET A 63 1.279 -18.865 -6.459 1.00 0.00 C ATOM 966 SD MET A 63 2.046 -19.674 -7.876 1.00 0.00 S ATOM 967 CE MET A 63 1.831 -18.421 -9.138 1.00 0.00 C ATOM 0 H MET A 63 3.349 -17.368 -3.465 1.00 0.00 H new ATOM 0 HA MET A 63 2.041 -19.696 -4.020 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.825 -17.347 -5.054 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.115 -17.812 -6.145 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.709 -19.600 -5.891 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.570 -18.116 -6.813 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.006 -18.860 -10.120 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.815 -18.028 -9.091 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.541 -17.611 -8.971 1.00 0.00 H new ATOM 977 N ALA A 64 4.864 -19.611 -5.758 1.00 0.00 N ATOM 978 CA ALA A 64 5.859 -20.453 -6.411 1.00 0.00 C ATOM 979 C ALA A 64 6.243 -21.634 -5.526 1.00 0.00 C ATOM 980 O ALA A 64 6.340 -22.768 -5.996 1.00 0.00 O ATOM 981 CB ALA A 64 7.091 -19.634 -6.767 1.00 0.00 C ATOM 0 H ALA A 64 5.038 -18.609 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 64 5.421 -20.847 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.826 -20.275 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.809 -18.827 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.522 -19.212 -5.859 1.00 0.00 H new ATOM 987 N ARG A 65 6.462 -21.361 -4.244 1.00 0.00 N ATOM 988 CA ARG A 65 6.838 -22.402 -3.295 1.00 0.00 C ATOM 989 C ARG A 65 5.693 -23.389 -3.088 1.00 0.00 C ATOM 990 O ARG A 65 5.908 -24.599 -3.010 1.00 0.00 O ATOM 991 CB ARG A 65 7.238 -21.780 -1.956 1.00 0.00 C ATOM 992 CG ARG A 65 8.472 -20.896 -2.039 1.00 0.00 C ATOM 993 CD ARG A 65 8.467 -19.829 -0.955 1.00 0.00 C ATOM 994 NE ARG A 65 9.724 -19.087 -0.912 1.00 0.00 N ATOM 995 CZ ARG A 65 10.848 -19.575 -0.401 1.00 0.00 C ATOM 996 NH1 ARG A 65 10.872 -20.799 0.108 1.00 0.00 N ATOM 997 NH2 ARG A 65 11.952 -18.838 -0.398 1.00 0.00 N ATOM 0 H ARG A 65 6.386 -20.428 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 65 7.690 -22.943 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.404 -21.190 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.420 -22.577 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.368 -21.510 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.515 -20.421 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.643 -19.137 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.289 -20.297 0.013 1.00 0.00 H new ATOM 0 HE ARG A 65 9.739 -18.142 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.026 -21.368 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.737 -21.171 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.937 -17.896 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.815 -19.214 -0.005 1.00 0.00 H new ATOM 1011 N HIS A 66 4.475 -22.863 -2.998 1.00 0.00 N ATOM 1012 CA HIS A 66 3.295 -23.698 -2.800 1.00 0.00 C ATOM 1013 C HIS A 66 3.213 -24.785 -3.868 1.00 0.00 C ATOM 1014 O HIS A 66 3.068 -25.966 -3.555 1.00 0.00 O ATOM 1015 CB HIS A 66 2.028 -22.842 -2.828 1.00 0.00 C ATOM 1016 CG HIS A 66 0.798 -23.606 -3.211 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.266 -24.614 -2.435 1.00 0.00 N ATOM 1018 CD2 HIS A 66 -0.006 -23.503 -4.295 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.812 -25.099 -3.025 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.999 -24.442 -4.156 1.00 0.00 N ATOM 0 H HIS A 66 4.280 -21.864 -3.059 1.00 0.00 H new ATOM 0 HA HIS A 66 3.379 -24.177 -1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.878 -22.397 -1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.169 -22.021 -3.531 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.646 -24.935 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.111 -22.811 -5.116 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.434 -25.897 -2.647 1.00 0.00 H new ATOM 1028 N ALA A 67 3.306 -24.377 -5.129 1.00 0.00 N ATOM 1029 CA ALA A 67 3.243 -25.315 -6.243 1.00 0.00 C ATOM 1030 C ALA A 67 4.091 -26.552 -5.966 1.00 0.00 C ATOM 1031 O ALA A 67 3.660 -27.679 -6.210 1.00 0.00 O ATOM 1032 CB ALA A 67 3.695 -24.640 -7.529 1.00 0.00 C ATOM 0 H ALA A 67 3.425 -23.402 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 67 2.207 -25.634 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.643 -25.353 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.045 -23.791 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.722 -24.292 -7.416 1.00 0.00 H new ATOM 1038 N ASP A 68 5.298 -26.334 -5.457 1.00 0.00 N ATOM 1039 CA ASP A 68 6.207 -27.431 -5.147 1.00 0.00 C ATOM 1040 C ASP A 68 5.498 -28.512 -4.338 1.00 0.00 C ATOM 1041 O ASP A 68 5.499 -29.684 -4.714 1.00 0.00 O ATOM 1042 CB ASP A 68 7.422 -26.913 -4.375 1.00 0.00 C ATOM 1043 CG ASP A 68 8.556 -27.918 -4.338 1.00 0.00 C ATOM 1044 OD1 ASP A 68 9.173 -28.157 -5.398 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.829 -28.465 -3.249 1.00 0.00 O ATOM 0 H ASP A 68 5.670 -25.407 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 68 6.543 -27.868 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.774 -25.989 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.124 -26.668 -3.356 1.00 0.00 H new ATOM 1050 N ASN A 69 4.895 -28.111 -3.224 1.00 0.00 N ATOM 1051 CA ASN A 69 4.183 -29.046 -2.360 1.00 0.00 C ATOM 1052 C ASN A 69 2.744 -29.234 -2.831 1.00 0.00 C ATOM 1053 O ASN A 69 1.969 -29.968 -2.218 1.00 0.00 O ATOM 1054 CB ASN A 69 4.197 -28.548 -0.914 1.00 0.00 C ATOM 1055 CG ASN A 69 5.602 -28.427 -0.357 1.00 0.00 C ATOM 1056 OD1 ASN A 69 6.440 -29.306 -0.561 1.00 0.00 O ATOM 1057 ND2 ASN A 69 5.867 -27.334 0.350 1.00 0.00 N ATOM 0 H ASN A 69 4.885 -27.145 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 69 4.692 -30.009 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.704 -27.577 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.620 -29.232 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.796 -27.197 0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.142 -26.631 0.494 1.00 0.00 H new ATOM 1064 N CYS A 70 2.393 -28.566 -3.925 1.00 0.00 N ATOM 1065 CA CYS A 70 1.048 -28.658 -4.480 1.00 0.00 C ATOM 1066 C CYS A 70 0.887 -29.930 -5.307 1.00 0.00 C ATOM 1067 O CYS A 70 1.858 -30.455 -5.852 1.00 0.00 O ATOM 1068 CB CYS A 70 0.745 -27.433 -5.344 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.970 -27.359 -5.955 1.00 0.00 S ATOM 0 H CYS A 70 3.022 -27.954 -4.445 1.00 0.00 H new ATOM 0 HA CYS A 70 0.341 -28.693 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.952 -26.533 -4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.424 -27.426 -6.197 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.538 -26.273 -5.522 1.00 0.00 H new ATOM 1074 N ALA A 71 -0.345 -30.420 -5.397 1.00 0.00 N ATOM 1075 CA ALA A 71 -0.634 -31.628 -6.159 1.00 0.00 C ATOM 1076 C ALA A 71 -1.625 -31.344 -7.282 1.00 0.00 C ATOM 1077 O ALA A 71 -1.424 -31.763 -8.421 1.00 0.00 O ATOM 1078 CB ALA A 71 -1.171 -32.716 -5.241 1.00 0.00 C ATOM 0 H ALA A 71 -1.160 -29.998 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 71 0.296 -31.975 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.382 -33.612 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.428 -32.947 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.087 -32.369 -4.763 1.00 0.00 H new ATOM 1084 N GLY A 72 -2.697 -30.630 -6.953 1.00 0.00 N ATOM 1085 CA GLY A 72 -3.705 -30.304 -7.946 1.00 0.00 C ATOM 1086 C GLY A 72 -5.071 -30.074 -7.331 1.00 0.00 C ATOM 1087 O GLY A 72 -5.226 -30.022 -6.111 1.00 0.00 O ATOM 0 H GLY A 72 -2.886 -30.271 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.399 -29.410 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.769 -31.113 -8.674 1.00 0.00 H new ATOM 1091 N PRO A 73 -6.093 -29.929 -8.188 1.00 0.00 N ATOM 1092 CA PRO A 73 -7.471 -29.700 -7.744 1.00 0.00 C ATOM 1093 C PRO A 73 -8.078 -30.929 -7.076 1.00 0.00 C ATOM 1094 O PRO A 73 -9.214 -30.894 -6.604 1.00 0.00 O ATOM 1095 CB PRO A 73 -8.213 -29.378 -9.044 1.00 0.00 C ATOM 1096 CG PRO A 73 -7.413 -30.042 -10.111 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.982 -29.980 -9.655 1.00 0.00 C ATOM 0 HA PRO A 73 -7.531 -28.911 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.235 -29.757 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.276 -28.302 -9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.733 -31.074 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.540 -29.534 -11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.417 -30.852 -9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.472 -29.101 -10.050 1.00 0.00 H new