USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 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 43 THR OG1 : rot 170:sc= -1.03 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.459 X(o=-1.5,f=-1.6) USER MOD Set 2.1: A 35 CYS SG : rot -74:sc= -21! USER MOD Set 2.2: A 59 CYS SG : rot -30:sc= -22.5! USER MOD Single : A 37 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.027) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-1.26) USER MOD Single : A 51 HIS : no HE2:sc= -2.03 K(o=-2,f=-4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 0.109 (180deg=-2.72!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 232 N CYS A 35 -18.002 -0.238 -24.389 1.00 42.22 N ATOM 233 CA CYS A 35 -18.132 -0.313 -25.839 1.00 41.13 C ATOM 234 C CYS A 35 -19.138 0.715 -26.349 1.00 42.13 C ATOM 235 O CYS A 35 -19.959 1.225 -25.588 1.00 53.23 O ATOM 236 CB CYS A 35 -18.564 -1.719 -26.261 1.00 51.54 C ATOM 237 SG CYS A 35 -18.249 -2.098 -28.015 1.00 70.11 S ATOM 0 HA CYS A 35 -17.159 -0.092 -26.278 1.00 41.13 H new ATOM 0 HB2 CYS A 35 -18.041 -2.449 -25.643 1.00 51.54 H new ATOM 0 HB3 CYS A 35 -19.629 -1.836 -26.061 1.00 51.54 H new ATOM 0 HG CYS A 35 -19.112 -1.469 -28.757 1.00 70.11 H new ATOM 242 N ALA A 36 -19.066 1.014 -27.642 1.00 73.33 N ATOM 243 CA ALA A 36 -19.971 1.978 -28.255 1.00 13.33 C ATOM 244 C ALA A 36 -21.190 1.284 -28.854 1.00 45.24 C ATOM 245 O ALA A 36 -21.097 0.159 -29.342 1.00 23.53 O ATOM 246 CB ALA A 36 -19.242 2.783 -29.320 1.00 53.24 C ATOM 0 H ALA A 36 -18.390 0.602 -28.285 1.00 73.33 H new ATOM 0 HA ALA A 36 -20.319 2.657 -27.477 1.00 13.33 H new ATOM 0 HB1 ALA A 36 -19.930 3.499 -29.769 1.00 53.24 H new ATOM 0 HB2 ALA A 36 -18.408 3.318 -28.865 1.00 53.24 H new ATOM 0 HB3 ALA A 36 -18.865 2.110 -30.090 1.00 53.24 H new ATOM 252 N ASN A 37 -22.331 1.963 -28.814 1.00 53.41 N ATOM 253 CA ASN A 37 -23.569 1.411 -29.353 1.00 23.32 C ATOM 254 C ASN A 37 -23.773 1.844 -30.801 1.00 40.22 C ATOM 255 O ASN A 37 -24.873 1.738 -31.343 1.00 53.02 O ATOM 256 CB ASN A 37 -24.762 1.853 -28.503 1.00 43.31 C ATOM 257 CG ASN A 37 -25.602 0.682 -28.032 1.00 54.23 C ATOM 258 OD1 ASN A 37 -26.061 0.653 -26.890 1.00 70.52 O ATOM 259 ND2 ASN A 37 -25.808 -0.290 -28.913 1.00 20.21 N ATOM 0 H ASN A 37 -22.425 2.897 -28.414 1.00 53.41 H new ATOM 0 HA ASN A 37 -23.495 0.324 -29.325 1.00 23.32 H new ATOM 0 HB2 ASN A 37 -24.402 2.409 -27.638 1.00 43.31 H new ATOM 0 HB3 ASN A 37 -25.385 2.534 -29.083 1.00 43.31 H new ATOM 0 HD21 ASN A 37 -26.367 -1.103 -28.654 1.00 20.21 H new ATOM 0 HD22 ASN A 37 -25.408 -0.223 -29.849 1.00 20.21 H new ATOM 266 N VAL A 38 -22.705 2.333 -31.423 1.00 64.33 N ATOM 267 CA VAL A 38 -22.765 2.781 -32.809 1.00 74.24 C ATOM 268 C VAL A 38 -23.489 1.764 -33.685 1.00 30.54 C ATOM 269 O VAL A 38 -23.357 0.555 -33.491 1.00 22.44 O ATOM 270 CB VAL A 38 -21.357 3.025 -33.383 1.00 22.14 C ATOM 271 CG1 VAL A 38 -20.590 4.011 -32.514 1.00 54.15 C ATOM 272 CG2 VAL A 38 -20.599 1.712 -33.509 1.00 43.12 C ATOM 0 H VAL A 38 -21.787 2.429 -30.988 1.00 64.33 H new ATOM 0 HA VAL A 38 -23.318 3.720 -32.813 1.00 74.24 H new ATOM 0 HB VAL A 38 -21.459 3.457 -34.379 1.00 22.14 H new ATOM 0 HG11 VAL A 38 -19.597 4.171 -32.935 1.00 54.15 H new ATOM 0 HG12 VAL A 38 -21.127 4.959 -32.479 1.00 54.15 H new ATOM 0 HG13 VAL A 38 -20.496 3.610 -31.505 1.00 54.15 H new ATOM 0 HG21 VAL A 38 -19.606 1.903 -33.916 1.00 43.12 H new ATOM 0 HG22 VAL A 38 -20.506 1.250 -32.526 1.00 43.12 H new ATOM 0 HG23 VAL A 38 -21.142 1.041 -34.175 1.00 43.12 H new ATOM 282 N THR A 39 -24.255 2.261 -34.651 1.00 33.24 N ATOM 283 CA THR A 39 -25.001 1.396 -35.556 1.00 71.01 C ATOM 284 C THR A 39 -24.422 1.445 -36.965 1.00 43.22 C ATOM 285 O THR A 39 -23.808 2.437 -37.361 1.00 23.41 O ATOM 286 CB THR A 39 -26.489 1.790 -35.611 1.00 51.10 C ATOM 287 OG1 THR A 39 -26.616 3.181 -35.926 1.00 52.10 O ATOM 288 CG2 THR A 39 -27.175 1.501 -34.284 1.00 60.44 C ATOM 0 H THR A 39 -24.375 3.259 -34.827 1.00 33.24 H new ATOM 0 HA THR A 39 -24.916 0.382 -35.166 1.00 71.01 H new ATOM 0 HB THR A 39 -26.971 1.196 -36.388 1.00 51.10 H new ATOM 0 HG1 THR A 39 -27.565 3.423 -35.961 1.00 52.10 H new ATOM 0 HG21 THR A 39 -28.225 1.787 -34.347 1.00 60.44 H new ATOM 0 HG22 THR A 39 -27.102 0.437 -34.061 1.00 60.44 H new ATOM 0 HG23 THR A 39 -26.690 2.072 -33.492 1.00 60.44 H new ATOM 296 N CYS A 40 -24.621 0.370 -37.720 1.00 21.33 N ATOM 297 CA CYS A 40 -24.118 0.290 -39.086 1.00 35.31 C ATOM 298 C CYS A 40 -25.241 -0.061 -40.059 1.00 0.44 C ATOM 299 O CYS A 40 -26.352 -0.394 -39.646 1.00 51.32 O ATOM 300 CB CYS A 40 -23.003 -0.753 -39.181 1.00 44.30 C ATOM 301 SG CYS A 40 -23.253 -2.209 -38.116 1.00 71.31 S ATOM 0 H CYS A 40 -25.128 -0.459 -37.408 1.00 21.33 H new ATOM 0 HA CYS A 40 -23.717 1.267 -39.357 1.00 35.31 H new ATOM 0 HB2 CYS A 40 -22.917 -1.084 -40.216 1.00 44.30 H new ATOM 0 HB3 CYS A 40 -22.056 -0.282 -38.917 1.00 44.30 H new ATOM 306 N ARG A 41 -24.942 0.017 -41.351 1.00 40.12 N ATOM 307 CA ARG A 41 -25.925 -0.291 -42.383 1.00 13.44 C ATOM 308 C ARG A 41 -25.251 -0.883 -43.617 1.00 34.43 C ATOM 309 O ARG A 41 -24.314 -0.302 -44.164 1.00 20.34 O ATOM 310 CB ARG A 41 -26.702 0.969 -42.768 1.00 55.34 C ATOM 311 CG ARG A 41 -25.845 2.035 -43.430 1.00 4.52 C ATOM 312 CD ARG A 41 -26.609 3.339 -43.600 1.00 3.24 C ATOM 313 NE ARG A 41 -25.872 4.303 -44.413 1.00 14.33 N ATOM 314 CZ ARG A 41 -24.853 5.023 -43.956 1.00 54.15 C ATOM 315 NH1 ARG A 41 -24.452 4.888 -42.700 1.00 61.21 N1+ ATOM 316 NH2 ARG A 41 -24.233 5.880 -44.758 1.00 15.03 N ATOM 0 H ARG A 41 -24.027 0.291 -41.709 1.00 40.12 H new ATOM 0 HA ARG A 41 -26.619 -1.029 -41.980 1.00 13.44 H new ATOM 0 HB2 ARG A 41 -27.511 0.694 -43.444 1.00 55.34 H new ATOM 0 HB3 ARG A 41 -27.163 1.389 -41.874 1.00 55.34 H new ATOM 0 HG2 ARG A 41 -24.953 2.211 -42.829 1.00 4.52 H new ATOM 0 HG3 ARG A 41 -25.509 1.680 -44.404 1.00 4.52 H new ATOM 0 HD2 ARG A 41 -27.574 3.136 -44.064 1.00 3.24 H new ATOM 0 HD3 ARG A 41 -26.811 3.771 -42.620 1.00 3.24 H new ATOM 0 HE ARG A 41 -26.155 4.430 -45.385 1.00 14.33 H new ATOM 0 HH11 ARG A 41 -24.926 4.230 -42.081 1.00 61.21 H new ATOM 0 HH12 ARG A 41 -23.669 5.442 -42.352 1.00 61.21 H new ATOM 0 HH21 ARG A 41 -24.539 5.986 -45.725 1.00 15.03 H new ATOM 0 HH22 ARG A 41 -23.451 6.433 -44.407 1.00 15.03 H new ATOM 330 N ARG A 42 -25.735 -2.043 -44.049 1.00 73.21 N ATOM 331 CA ARG A 42 -25.179 -2.715 -45.217 1.00 62.31 C ATOM 332 C ARG A 42 -26.288 -3.297 -46.089 1.00 44.34 C ATOM 333 O ARG A 42 -27.147 -4.037 -45.610 1.00 12.33 O ATOM 334 CB ARG A 42 -24.220 -3.826 -44.784 1.00 74.31 C ATOM 335 CG ARG A 42 -22.949 -3.892 -45.615 1.00 11.24 C ATOM 336 CD ARG A 42 -21.964 -2.805 -45.212 1.00 54.04 C ATOM 337 NE ARG A 42 -22.270 -1.527 -45.849 1.00 11.40 N ATOM 338 CZ ARG A 42 -21.732 -0.372 -45.474 1.00 44.40 C ATOM 339 NH1 ARG A 42 -20.865 -0.335 -44.472 1.00 4.14 N1+ ATOM 340 NH2 ARG A 42 -22.060 0.750 -46.103 1.00 21.13 N ATOM 0 H ARG A 42 -26.511 -2.537 -43.608 1.00 73.21 H new ATOM 0 HA ARG A 42 -24.630 -1.977 -45.802 1.00 62.31 H new ATOM 0 HB2 ARG A 42 -23.953 -3.676 -43.738 1.00 74.31 H new ATOM 0 HB3 ARG A 42 -24.735 -4.784 -44.847 1.00 74.31 H new ATOM 0 HG2 ARG A 42 -22.483 -4.870 -45.493 1.00 11.24 H new ATOM 0 HG3 ARG A 42 -23.197 -3.786 -46.671 1.00 11.24 H new ATOM 0 HD2 ARG A 42 -21.981 -2.684 -44.129 1.00 54.04 H new ATOM 0 HD3 ARG A 42 -20.954 -3.112 -45.483 1.00 54.04 H new ATOM 0 HE ARG A 42 -22.933 -1.521 -46.624 1.00 11.40 H new ATOM 0 HH11 ARG A 42 -20.609 -1.195 -43.987 1.00 4.14 H new ATOM 0 HH12 ARG A 42 -20.453 0.553 -44.186 1.00 4.14 H new ATOM 0 HH21 ARG A 42 -22.726 0.726 -46.875 1.00 21.13 H new ATOM 0 HH22 ARG A 42 -21.646 1.636 -45.814 1.00 21.13 H new ATOM 354 N THR A 43 -26.263 -2.956 -47.374 1.00 64.34 N ATOM 355 CA THR A 43 -27.266 -3.442 -48.313 1.00 64.34 C ATOM 356 C THR A 43 -26.614 -4.013 -49.568 1.00 3.41 C ATOM 357 O THR A 43 -25.567 -3.536 -50.007 1.00 61.11 O ATOM 358 CB THR A 43 -28.243 -2.324 -48.720 1.00 13.30 C ATOM 359 OG1 THR A 43 -28.322 -1.341 -47.682 1.00 11.42 O ATOM 360 CG2 THR A 43 -29.628 -2.889 -48.996 1.00 33.42 C ATOM 0 H THR A 43 -25.559 -2.345 -47.788 1.00 64.34 H new ATOM 0 HA THR A 43 -27.820 -4.231 -47.803 1.00 64.34 H new ATOM 0 HB THR A 43 -27.869 -1.860 -49.632 1.00 13.30 H new ATOM 0 HG1 THR A 43 -28.814 -0.559 -48.009 1.00 11.42 H new ATOM 0 HG21 THR A 43 -30.301 -2.080 -49.282 1.00 33.42 H new ATOM 0 HG22 THR A 43 -29.570 -3.616 -49.806 1.00 33.42 H new ATOM 0 HG23 THR A 43 -30.008 -3.377 -48.098 1.00 33.42 H new ATOM 368 N VAL A 44 -27.239 -5.036 -50.142 1.00 13.54 N ATOM 369 CA VAL A 44 -26.721 -5.670 -51.348 1.00 4.24 C ATOM 370 C VAL A 44 -27.838 -6.336 -52.142 1.00 51.03 C ATOM 371 O VAL A 44 -28.481 -7.271 -51.665 1.00 63.41 O ATOM 372 CB VAL A 44 -25.647 -6.722 -51.011 1.00 73.00 C ATOM 373 CG1 VAL A 44 -26.186 -7.733 -50.010 1.00 4.21 C ATOM 374 CG2 VAL A 44 -25.167 -7.416 -52.277 1.00 33.55 C ATOM 0 H VAL A 44 -28.106 -5.444 -49.791 1.00 13.54 H new ATOM 0 HA VAL A 44 -26.271 -4.882 -51.952 1.00 4.24 H new ATOM 0 HB VAL A 44 -24.796 -6.215 -50.556 1.00 73.00 H new ATOM 0 HG11 VAL A 44 -25.414 -8.468 -49.784 1.00 4.21 H new ATOM 0 HG12 VAL A 44 -26.477 -7.219 -49.094 1.00 4.21 H new ATOM 0 HG13 VAL A 44 -27.054 -8.237 -50.434 1.00 4.21 H new ATOM 0 HG21 VAL A 44 -24.409 -8.156 -52.021 1.00 33.55 H new ATOM 0 HG22 VAL A 44 -26.008 -7.911 -52.762 1.00 33.55 H new ATOM 0 HG23 VAL A 44 -24.740 -6.679 -52.956 1.00 33.55 H new ATOM 384 N ASP A 45 -28.064 -5.848 -53.357 1.00 73.31 N ATOM 385 CA ASP A 45 -29.104 -6.397 -54.220 1.00 62.30 C ATOM 386 C ASP A 45 -28.532 -6.785 -55.580 1.00 52.23 C ATOM 387 O ASP A 45 -27.532 -6.225 -56.026 1.00 63.02 O ATOM 388 CB ASP A 45 -30.236 -5.385 -54.398 1.00 41.55 C ATOM 389 CG ASP A 45 -31.597 -6.047 -54.481 1.00 53.50 C ATOM 390 OD1 ASP A 45 -31.695 -7.128 -55.098 1.00 52.14 O ATOM 391 OD2 ASP A 45 -32.565 -5.484 -53.928 1.00 3.35 O ATOM 0 H ASP A 45 -27.541 -5.074 -53.766 1.00 73.31 H new ATOM 0 HA ASP A 45 -29.501 -7.293 -53.744 1.00 62.30 H new ATOM 0 HB2 ASP A 45 -30.227 -4.684 -53.564 1.00 41.55 H new ATOM 0 HB3 ASP A 45 -30.062 -4.805 -55.304 1.00 41.55 H new ATOM 396 N ASN A 46 -29.175 -7.747 -56.234 1.00 24.40 N ATOM 397 CA ASN A 46 -28.729 -8.211 -57.543 1.00 30.21 C ATOM 398 C ASN A 46 -27.231 -8.501 -57.536 1.00 72.23 C ATOM 399 O ASN A 46 -26.571 -8.433 -58.573 1.00 42.11 O ATOM 400 CB ASN A 46 -29.053 -7.168 -58.614 1.00 72.12 C ATOM 401 CG ASN A 46 -29.209 -7.783 -59.992 1.00 20.14 C ATOM 402 OD1 ASN A 46 -29.611 -8.939 -60.126 1.00 11.13 O ATOM 403 ND2 ASN A 46 -28.890 -7.011 -61.024 1.00 10.22 N ATOM 0 H ASN A 46 -30.006 -8.220 -55.879 1.00 24.40 H new ATOM 0 HA ASN A 46 -29.259 -9.135 -57.773 1.00 30.21 H new ATOM 0 HB2 ASN A 46 -29.973 -6.648 -58.345 1.00 72.12 H new ATOM 0 HB3 ASN A 46 -28.260 -6.420 -58.641 1.00 72.12 H new ATOM 0 HD21 ASN A 46 -28.974 -7.370 -61.975 1.00 10.22 H new ATOM 0 HD22 ASN A 46 -28.561 -6.059 -60.866 1.00 10.22 H new ATOM 410 N ARG A 47 -26.702 -8.825 -56.361 1.00 60.42 N ATOM 411 CA ARG A 47 -25.282 -9.125 -56.219 1.00 73.32 C ATOM 412 C ARG A 47 -25.070 -10.592 -55.854 1.00 13.54 C ATOM 413 O ARG A 47 -24.073 -11.200 -56.238 1.00 44.23 O ATOM 414 CB ARG A 47 -24.654 -8.227 -55.153 1.00 4.42 C ATOM 415 CG ARG A 47 -23.380 -7.536 -55.612 1.00 50.22 C ATOM 416 CD ARG A 47 -22.997 -6.397 -54.680 1.00 42.23 C ATOM 417 NE ARG A 47 -22.355 -6.880 -53.460 1.00 53.15 N ATOM 418 CZ ARG A 47 -21.685 -6.097 -52.623 1.00 10.41 C ATOM 419 NH1 ARG A 47 -21.570 -4.799 -52.872 1.00 24.41 N1+ ATOM 420 NH2 ARG A 47 -21.129 -6.610 -51.533 1.00 70.42 N ATOM 0 H ARG A 47 -27.235 -8.887 -55.494 1.00 60.42 H new ATOM 0 HA ARG A 47 -24.798 -8.933 -57.177 1.00 73.32 H new ATOM 0 HB2 ARG A 47 -25.380 -7.471 -54.854 1.00 4.42 H new ATOM 0 HB3 ARG A 47 -24.434 -8.826 -54.269 1.00 4.42 H new ATOM 0 HG2 ARG A 47 -22.567 -8.261 -55.656 1.00 50.22 H new ATOM 0 HG3 ARG A 47 -23.518 -7.150 -56.622 1.00 50.22 H new ATOM 0 HD2 ARG A 47 -22.323 -5.715 -55.199 1.00 42.23 H new ATOM 0 HD3 ARG A 47 -23.889 -5.827 -54.419 1.00 42.23 H new ATOM 0 HE ARG A 47 -22.425 -7.873 -53.239 1.00 53.15 H new ATOM 0 HH11 ARG A 47 -21.997 -4.400 -53.708 1.00 24.41 H new ATOM 0 HH12 ARG A 47 -21.055 -4.200 -52.227 1.00 24.41 H new ATOM 0 HH21 ARG A 47 -21.216 -7.607 -51.337 1.00 70.42 H new ATOM 0 HH22 ARG A 47 -20.615 -6.007 -50.891 1.00 70.42 H new ATOM 434 N GLY A 48 -26.017 -11.153 -55.107 1.00 44.00 N ATOM 435 CA GLY A 48 -25.914 -12.543 -54.701 1.00 54.43 C ATOM 436 C GLY A 48 -24.902 -12.750 -53.593 1.00 2.14 C ATOM 437 O GLY A 48 -24.731 -13.864 -53.097 1.00 70.14 O ATOM 0 H GLY A 48 -26.852 -10.670 -54.776 1.00 44.00 H new ATOM 0 HA2 GLY A 48 -26.890 -12.894 -54.367 1.00 54.43 H new ATOM 0 HA3 GLY A 48 -25.634 -13.150 -55.562 1.00 54.43 H new ATOM 441 N LYS A 49 -24.226 -11.675 -53.202 1.00 51.41 N ATOM 442 CA LYS A 49 -23.224 -11.742 -52.145 1.00 61.21 C ATOM 443 C LYS A 49 -23.676 -10.960 -50.916 1.00 42.00 C ATOM 444 O LYS A 49 -24.145 -9.827 -51.028 1.00 34.54 O ATOM 445 CB LYS A 49 -21.886 -11.195 -52.647 1.00 63.42 C ATOM 446 CG LYS A 49 -20.680 -11.930 -52.087 1.00 1.43 C ATOM 447 CD LYS A 49 -19.378 -11.301 -52.553 1.00 43.41 C ATOM 448 CE LYS A 49 -18.887 -11.930 -53.848 1.00 22.34 C ATOM 449 NZ LYS A 49 -19.614 -11.399 -55.034 1.00 31.05 N1+ ATOM 0 H LYS A 49 -24.354 -10.746 -53.602 1.00 51.41 H new ATOM 0 HA LYS A 49 -23.099 -12.787 -51.863 1.00 61.21 H new ATOM 0 HB2 LYS A 49 -21.864 -11.254 -53.735 1.00 63.42 H new ATOM 0 HB3 LYS A 49 -21.813 -10.140 -52.384 1.00 63.42 H new ATOM 0 HG2 LYS A 49 -20.720 -11.920 -50.998 1.00 1.43 H new ATOM 0 HG3 LYS A 49 -20.712 -12.974 -52.398 1.00 1.43 H new ATOM 0 HD2 LYS A 49 -19.522 -10.230 -52.699 1.00 43.41 H new ATOM 0 HD3 LYS A 49 -18.619 -11.418 -51.780 1.00 43.41 H new ATOM 0 HE2 LYS A 49 -17.820 -11.740 -53.962 1.00 22.34 H new ATOM 0 HE3 LYS A 49 -19.015 -13.011 -53.798 1.00 22.34 H new ATOM 0 HZ1 LYS A 49 -18.987 -11.420 -55.864 1.00 31.05 H new ATOM 0 HZ2 LYS A 49 -20.452 -11.986 -55.219 1.00 31.05 H new ATOM 0 HZ3 LYS A 49 -19.911 -10.420 -54.849 1.00 31.05 H new ATOM 463 N ARG A 50 -23.529 -11.571 -49.745 1.00 14.32 N ATOM 464 CA ARG A 50 -23.922 -10.931 -48.495 1.00 54.21 C ATOM 465 C ARG A 50 -23.009 -9.751 -48.178 1.00 3.32 C ATOM 466 O ARG A 50 -21.786 -9.851 -48.287 1.00 72.43 O ATOM 467 CB ARG A 50 -23.886 -11.941 -47.347 1.00 11.12 C ATOM 468 CG ARG A 50 -25.122 -11.902 -46.462 1.00 64.02 C ATOM 469 CD ARG A 50 -25.355 -10.512 -45.893 1.00 14.53 C ATOM 470 NE ARG A 50 -26.373 -9.778 -46.640 1.00 35.10 N ATOM 471 CZ ARG A 50 -26.828 -8.582 -46.283 1.00 70.00 C ATOM 472 NH1 ARG A 50 -26.357 -7.988 -45.196 1.00 0.44 N1+ ATOM 473 NH2 ARG A 50 -27.755 -7.978 -47.015 1.00 15.11 N ATOM 0 H ARG A 50 -23.141 -12.508 -49.636 1.00 14.32 H new ATOM 0 HA ARG A 50 -24.940 -10.559 -48.611 1.00 54.21 H new ATOM 0 HB2 ARG A 50 -23.777 -12.944 -47.760 1.00 11.12 H new ATOM 0 HB3 ARG A 50 -23.005 -11.751 -46.734 1.00 11.12 H new ATOM 0 HG2 ARG A 50 -25.994 -12.211 -47.039 1.00 64.02 H new ATOM 0 HG3 ARG A 50 -25.010 -12.616 -45.646 1.00 64.02 H new ATOM 0 HD2 ARG A 50 -25.660 -10.594 -44.850 1.00 14.53 H new ATOM 0 HD3 ARG A 50 -24.420 -9.952 -45.909 1.00 14.53 H new ATOM 0 HE ARG A 50 -26.756 -10.207 -47.482 1.00 35.10 H new ATOM 0 HH11 ARG A 50 -25.644 -8.449 -44.631 1.00 0.44 H new ATOM 0 HH12 ARG A 50 -26.708 -7.070 -44.924 1.00 0.44 H new ATOM 0 HH21 ARG A 50 -28.119 -8.432 -47.853 1.00 15.11 H new ATOM 0 HH22 ARG A 50 -28.104 -7.060 -46.740 1.00 15.11 H new ATOM 487 N HIS A 51 -23.610 -8.632 -47.785 1.00 21.24 N ATOM 488 CA HIS A 51 -22.850 -7.432 -47.451 1.00 74.53 C ATOM 489 C HIS A 51 -22.663 -7.310 -45.942 1.00 53.31 C ATOM 490 O HIS A 51 -23.626 -7.395 -45.179 1.00 21.21 O ATOM 491 CB HIS A 51 -23.557 -6.189 -47.992 1.00 71.21 C ATOM 492 CG HIS A 51 -22.639 -5.235 -48.692 1.00 1.02 C ATOM 493 ND1 HIS A 51 -21.409 -4.867 -48.187 1.00 54.04 N ATOM 494 CD2 HIS A 51 -22.776 -4.574 -49.865 1.00 10.53 C ATOM 495 CE1 HIS A 51 -20.831 -4.019 -49.019 1.00 22.11 C ATOM 496 NE2 HIS A 51 -21.639 -3.825 -50.045 1.00 52.32 N ATOM 0 H HIS A 51 -24.621 -8.531 -47.690 1.00 21.24 H new ATOM 0 HA HIS A 51 -21.867 -7.513 -47.915 1.00 74.53 H new ATOM 0 HB2 HIS A 51 -24.341 -6.499 -48.683 1.00 71.21 H new ATOM 0 HB3 HIS A 51 -24.046 -5.671 -47.167 1.00 71.21 H new ATOM 0 HD1 HIS A 51 -21.009 -5.198 -47.309 1.00 54.04 H new ATOM 0 HD2 HIS A 51 -23.622 -4.626 -50.535 1.00 10.53 H new ATOM 0 HE1 HIS A 51 -19.862 -3.562 -48.883 1.00 22.11 H new ATOM 504 N ILE A 52 -21.420 -7.110 -45.519 1.00 43.12 N ATOM 505 CA ILE A 52 -21.108 -6.975 -44.102 1.00 24.32 C ATOM 506 C ILE A 52 -20.656 -5.557 -43.770 1.00 53.15 C ATOM 507 O ILE A 52 -19.988 -4.904 -44.572 1.00 63.10 O ATOM 508 CB ILE A 52 -20.009 -7.965 -43.671 1.00 34.33 C ATOM 509 CG1 ILE A 52 -20.483 -9.406 -43.873 1.00 60.11 C ATOM 510 CG2 ILE A 52 -19.623 -7.728 -42.219 1.00 22.15 C ATOM 511 CD1 ILE A 52 -19.850 -10.390 -42.915 1.00 21.52 C ATOM 0 H ILE A 52 -20.612 -7.038 -46.138 1.00 43.12 H new ATOM 0 HA ILE A 52 -22.024 -7.199 -43.555 1.00 24.32 H new ATOM 0 HB ILE A 52 -19.129 -7.801 -44.292 1.00 34.33 H new ATOM 0 HG12 ILE A 52 -21.566 -9.443 -43.756 1.00 60.11 H new ATOM 0 HG13 ILE A 52 -20.262 -9.713 -44.895 1.00 60.11 H new ATOM 0 HG21 ILE A 52 -18.846 -8.435 -41.929 1.00 22.15 H new ATOM 0 HG22 ILE A 52 -19.250 -6.711 -42.103 1.00 22.15 H new ATOM 0 HG23 ILE A 52 -20.497 -7.868 -41.583 1.00 22.15 H new ATOM 0 HD11 ILE A 52 -20.232 -11.391 -43.116 1.00 21.52 H new ATOM 0 HD12 ILE A 52 -18.768 -10.382 -43.047 1.00 21.52 H new ATOM 0 HD13 ILE A 52 -20.093 -10.108 -41.891 1.00 21.52 H new ATOM 523 N ASP A 53 -21.025 -5.087 -42.584 1.00 2.20 N ATOM 524 CA ASP A 53 -20.656 -3.746 -42.144 1.00 64.34 C ATOM 525 C ASP A 53 -19.470 -3.796 -41.186 1.00 64.02 C ATOM 526 O ASP A 53 -19.133 -4.853 -40.654 1.00 4.42 O ATOM 527 CB ASP A 53 -21.845 -3.062 -41.468 1.00 60.53 C ATOM 528 CG ASP A 53 -22.744 -4.046 -40.745 1.00 60.03 C ATOM 529 OD1 ASP A 53 -22.212 -4.983 -40.113 1.00 40.22 O ATOM 530 OD2 ASP A 53 -23.980 -3.879 -40.811 1.00 4.53 O ATOM 0 H ASP A 53 -21.579 -5.614 -41.910 1.00 2.20 H new ATOM 0 HA ASP A 53 -20.367 -3.169 -43.022 1.00 64.34 H new ATOM 0 HB2 ASP A 53 -21.479 -2.320 -40.759 1.00 60.53 H new ATOM 0 HB3 ASP A 53 -22.427 -2.526 -42.218 1.00 60.53 H new ATOM 535 N GLY A 54 -18.839 -2.645 -40.972 1.00 51.03 N ATOM 536 CA GLY A 54 -17.697 -2.580 -40.080 1.00 2.44 C ATOM 537 C GLY A 54 -18.041 -1.955 -38.742 1.00 73.20 C ATOM 538 O GLY A 54 -18.998 -1.187 -38.635 1.00 5.31 O ATOM 0 H GLY A 54 -19.099 -1.757 -41.401 1.00 51.03 H new ATOM 0 HA2 GLY A 54 -17.308 -3.585 -39.919 1.00 2.44 H new ATOM 0 HA3 GLY A 54 -16.902 -2.003 -40.553 1.00 2.44 H new ATOM 542 N CYS A 55 -17.262 -2.286 -37.718 1.00 61.30 N ATOM 543 CA CYS A 55 -17.490 -1.755 -36.380 1.00 1.13 C ATOM 544 C CYS A 55 -16.167 -1.444 -35.685 1.00 51.34 C ATOM 545 O CYS A 55 -15.117 -1.990 -36.023 1.00 23.23 O ATOM 546 CB CYS A 55 -18.296 -2.751 -35.543 1.00 44.13 C ATOM 547 SG CYS A 55 -19.980 -2.189 -35.137 1.00 11.23 S ATOM 0 H CYS A 55 -16.466 -2.920 -37.790 1.00 61.30 H new ATOM 0 HA CYS A 55 -18.057 -0.829 -36.476 1.00 1.13 H new ATOM 0 HB2 CYS A 55 -18.360 -3.695 -36.084 1.00 44.13 H new ATOM 0 HB3 CYS A 55 -17.758 -2.950 -34.616 1.00 44.13 H new ATOM 552 N PRO A 56 -16.218 -0.545 -34.691 1.00 41.55 N ATOM 553 CA PRO A 56 -15.033 -0.141 -33.928 1.00 55.41 C ATOM 554 C PRO A 56 -14.518 -1.256 -33.025 1.00 0.43 C ATOM 555 O PRO A 56 -15.118 -2.325 -32.915 1.00 24.35 O ATOM 556 CB PRO A 56 -15.536 1.037 -33.090 1.00 14.32 C ATOM 557 CG PRO A 56 -17.003 0.809 -32.957 1.00 43.34 C ATOM 558 CD PRO A 56 -17.436 0.147 -34.236 1.00 22.31 C ATOM 0 HA PRO A 56 -14.194 0.108 -34.578 1.00 55.41 H new ATOM 0 HB2 PRO A 56 -15.050 1.065 -32.115 1.00 14.32 H new ATOM 0 HB3 PRO A 56 -15.326 1.989 -33.579 1.00 14.32 H new ATOM 0 HG2 PRO A 56 -17.223 0.177 -32.096 1.00 43.34 H new ATOM 0 HG3 PRO A 56 -17.532 1.750 -32.806 1.00 43.34 H new ATOM 0 HD2 PRO A 56 -18.256 -0.551 -34.069 1.00 22.31 H new ATOM 0 HD3 PRO A 56 -17.782 0.876 -34.969 1.00 22.31 H new ATOM 566 N PRO A 57 -13.380 -1.003 -32.362 1.00 1.55 N ATOM 567 CA PRO A 57 -12.759 -1.973 -31.455 1.00 34.11 C ATOM 568 C PRO A 57 -13.572 -2.178 -30.181 1.00 4.43 C ATOM 569 O PRO A 57 -14.096 -1.224 -29.607 1.00 42.32 O ATOM 570 CB PRO A 57 -11.405 -1.339 -31.130 1.00 3.13 C ATOM 571 CG PRO A 57 -11.613 0.123 -31.328 1.00 34.22 C ATOM 572 CD PRO A 57 -12.612 0.251 -32.445 1.00 65.12 C ATOM 0 HA PRO A 57 -12.684 -2.963 -31.906 1.00 34.11 H new ATOM 0 HB2 PRO A 57 -11.100 -1.560 -30.107 1.00 3.13 H new ATOM 0 HB3 PRO A 57 -10.622 -1.720 -31.786 1.00 3.13 H new ATOM 0 HG2 PRO A 57 -11.984 0.591 -30.417 1.00 34.22 H new ATOM 0 HG3 PRO A 57 -10.677 0.620 -31.583 1.00 34.22 H new ATOM 0 HD2 PRO A 57 -13.252 1.123 -32.314 1.00 65.12 H new ATOM 0 HD3 PRO A 57 -12.121 0.358 -33.412 1.00 65.12 H new ATOM 580 N GLY A 58 -13.671 -3.429 -29.742 1.00 53.11 N ATOM 581 CA GLY A 58 -14.421 -3.735 -28.538 1.00 31.41 C ATOM 582 C GLY A 58 -15.844 -4.167 -28.835 1.00 4.33 C ATOM 583 O GLY A 58 -16.528 -4.712 -27.969 1.00 34.32 O ATOM 0 H GLY A 58 -13.245 -4.236 -30.199 1.00 53.11 H new ATOM 0 HA2 GLY A 58 -13.912 -4.526 -27.988 1.00 31.41 H new ATOM 0 HA3 GLY A 58 -14.438 -2.857 -27.892 1.00 31.41 H new ATOM 587 N CYS A 59 -16.291 -3.921 -30.062 1.00 0.14 N ATOM 588 CA CYS A 59 -17.642 -4.285 -30.471 1.00 21.33 C ATOM 589 C CYS A 59 -17.685 -4.633 -31.956 1.00 54.40 C ATOM 590 O CYS A 59 -16.973 -4.037 -32.765 1.00 64.53 O ATOM 591 CB CYS A 59 -18.613 -3.141 -30.175 1.00 11.32 C ATOM 592 SG CYS A 59 -18.345 -2.336 -28.563 1.00 22.04 S ATOM 0 H CYS A 59 -15.737 -3.471 -30.791 1.00 0.14 H new ATOM 0 HA CYS A 59 -17.943 -5.164 -29.901 1.00 21.33 H new ATOM 0 HB2 CYS A 59 -18.526 -2.392 -30.962 1.00 11.32 H new ATOM 0 HB3 CYS A 59 -19.632 -3.525 -30.212 1.00 11.32 H new ATOM 0 HG CYS A 59 -17.854 -3.199 -27.723 1.00 22.04 H new ATOM 597 N LEU A 60 -18.526 -5.599 -32.307 1.00 74.04 N ATOM 598 CA LEU A 60 -18.664 -6.026 -33.695 1.00 70.34 C ATOM 599 C LEU A 60 -20.129 -6.039 -34.119 1.00 14.34 C ATOM 600 O LEU A 60 -21.014 -6.359 -33.324 1.00 24.33 O ATOM 601 CB LEU A 60 -18.055 -7.417 -33.884 1.00 40.35 C ATOM 602 CG LEU A 60 -18.961 -8.599 -33.539 1.00 21.03 C ATOM 603 CD1 LEU A 60 -19.754 -9.039 -34.760 1.00 3.14 C ATOM 604 CD2 LEU A 60 -18.141 -9.756 -32.988 1.00 24.32 C ATOM 0 H LEU A 60 -19.123 -6.102 -31.650 1.00 74.04 H new ATOM 0 HA LEU A 60 -18.130 -5.313 -34.323 1.00 70.34 H new ATOM 0 HB2 LEU A 60 -17.742 -7.516 -34.923 1.00 40.35 H new ATOM 0 HB3 LEU A 60 -17.155 -7.484 -33.272 1.00 40.35 H new ATOM 0 HG LEU A 60 -19.665 -8.280 -32.770 1.00 21.03 H new ATOM 0 HD11 LEU A 60 -20.393 -9.881 -34.495 1.00 3.14 H new ATOM 0 HD12 LEU A 60 -20.371 -8.212 -35.111 1.00 3.14 H new ATOM 0 HD13 LEU A 60 -19.067 -9.340 -35.551 1.00 3.14 H new ATOM 0 HD21 LEU A 60 -18.802 -10.589 -32.748 1.00 24.32 H new ATOM 0 HD22 LEU A 60 -17.413 -10.074 -33.734 1.00 24.32 H new ATOM 0 HD23 LEU A 60 -17.619 -9.435 -32.086 1.00 24.32 H new ATOM 616 N CYS A 61 -20.380 -5.690 -35.376 1.00 43.30 N ATOM 617 CA CYS A 61 -21.737 -5.662 -35.907 1.00 33.13 C ATOM 618 C CYS A 61 -21.878 -6.615 -37.090 1.00 34.52 C ATOM 619 O CYS A 61 -21.257 -6.422 -38.135 1.00 24.24 O ATOM 620 CB CYS A 61 -22.111 -4.242 -36.335 1.00 10.41 C ATOM 621 SG CYS A 61 -23.574 -4.152 -37.417 1.00 2.21 S ATOM 0 H CYS A 61 -19.660 -5.422 -36.047 1.00 43.30 H new ATOM 0 HA CYS A 61 -22.415 -5.987 -35.118 1.00 33.13 H new ATOM 0 HB2 CYS A 61 -22.294 -3.642 -35.444 1.00 10.41 H new ATOM 0 HB3 CYS A 61 -21.262 -3.794 -36.852 1.00 10.41 H new ATOM 626 N VAL A 62 -22.701 -7.646 -36.918 1.00 1.51 N ATOM 627 CA VAL A 62 -22.925 -8.629 -37.971 1.00 14.41 C ATOM 628 C VAL A 62 -24.378 -8.618 -38.432 1.00 54.43 C ATOM 629 O VAL A 62 -25.291 -8.899 -37.654 1.00 63.10 O ATOM 630 CB VAL A 62 -22.558 -10.049 -37.501 1.00 14.35 C ATOM 631 CG1 VAL A 62 -23.286 -10.388 -36.208 1.00 42.04 C ATOM 632 CG2 VAL A 62 -22.877 -11.067 -38.585 1.00 24.45 C ATOM 0 H VAL A 62 -23.223 -7.821 -36.059 1.00 1.51 H new ATOM 0 HA VAL A 62 -22.280 -8.352 -38.805 1.00 14.41 H new ATOM 0 HB VAL A 62 -21.486 -10.084 -37.306 1.00 14.35 H new ATOM 0 HG11 VAL A 62 -23.015 -11.395 -35.891 1.00 42.04 H new ATOM 0 HG12 VAL A 62 -23.003 -9.675 -35.434 1.00 42.04 H new ATOM 0 HG13 VAL A 62 -24.362 -10.337 -36.372 1.00 42.04 H new ATOM 0 HG21 VAL A 62 -22.612 -12.065 -38.236 1.00 24.45 H new ATOM 0 HG22 VAL A 62 -23.942 -11.034 -38.813 1.00 24.45 H new ATOM 0 HG23 VAL A 62 -22.306 -10.833 -39.483 1.00 24.45 H new ATOM 642 N LEU A 63 -24.587 -8.291 -39.703 1.00 32.21 N ATOM 643 CA LEU A 63 -25.931 -8.244 -40.270 1.00 5.21 C ATOM 644 C LEU A 63 -26.070 -9.232 -41.424 1.00 2.24 C ATOM 645 O LEU A 63 -25.368 -9.131 -42.430 1.00 54.44 O ATOM 646 CB LEU A 63 -26.252 -6.829 -40.754 1.00 5.42 C ATOM 647 CG LEU A 63 -25.712 -6.453 -42.134 1.00 44.41 C ATOM 648 CD1 LEU A 63 -26.226 -5.084 -42.554 1.00 25.23 C ATOM 649 CD2 LEU A 63 -24.190 -6.477 -42.136 1.00 51.34 C ATOM 0 H LEU A 63 -23.844 -8.055 -40.360 1.00 32.21 H new ATOM 0 HA LEU A 63 -26.638 -8.524 -39.489 1.00 5.21 H new ATOM 0 HB2 LEU A 63 -27.335 -6.707 -40.764 1.00 5.42 H new ATOM 0 HB3 LEU A 63 -25.858 -6.120 -40.026 1.00 5.42 H new ATOM 0 HG LEU A 63 -26.068 -7.189 -42.855 1.00 44.41 H new ATOM 0 HD11 LEU A 63 -25.831 -4.833 -43.539 1.00 25.23 H new ATOM 0 HD12 LEU A 63 -27.315 -5.101 -42.593 1.00 25.23 H new ATOM 0 HD13 LEU A 63 -25.900 -4.336 -41.831 1.00 25.23 H new ATOM 0 HD21 LEU A 63 -23.823 -6.207 -43.126 1.00 51.34 H new ATOM 0 HD22 LEU A 63 -23.814 -5.764 -41.403 1.00 51.34 H new ATOM 0 HD23 LEU A 63 -23.842 -7.478 -41.881 1.00 51.34 H new ATOM 661 N LYS A 64 -26.981 -10.186 -41.271 1.00 74.53 N ATOM 662 CA LYS A 64 -27.217 -11.192 -42.301 1.00 4.40 C ATOM 663 C LYS A 64 -28.526 -10.923 -43.035 1.00 15.42 C ATOM 664 O LYS A 64 -29.582 -10.799 -42.415 1.00 73.34 O ATOM 665 CB LYS A 64 -27.245 -12.590 -41.680 1.00 74.23 C ATOM 666 CG LYS A 64 -28.173 -12.705 -40.483 1.00 72.42 C ATOM 667 CD LYS A 64 -27.406 -13.028 -39.212 1.00 61.31 C ATOM 668 CE LYS A 64 -28.138 -12.527 -37.977 1.00 2.14 C ATOM 669 NZ LYS A 64 -28.681 -13.648 -37.161 1.00 0.04 N1+ ATOM 0 H LYS A 64 -27.569 -10.284 -40.443 1.00 74.53 H new ATOM 0 HA LYS A 64 -26.400 -11.137 -43.021 1.00 4.40 H new ATOM 0 HB2 LYS A 64 -27.553 -13.309 -42.439 1.00 74.23 H new ATOM 0 HB3 LYS A 64 -26.235 -12.863 -41.374 1.00 74.23 H new ATOM 0 HG2 LYS A 64 -28.718 -11.770 -40.353 1.00 72.42 H new ATOM 0 HG3 LYS A 64 -28.914 -13.482 -40.669 1.00 72.42 H new ATOM 0 HD2 LYS A 64 -27.260 -14.106 -39.138 1.00 61.31 H new ATOM 0 HD3 LYS A 64 -26.416 -12.575 -39.258 1.00 61.31 H new ATOM 0 HE2 LYS A 64 -27.458 -11.931 -37.368 1.00 2.14 H new ATOM 0 HE3 LYS A 64 -28.953 -11.870 -38.280 1.00 2.14 H new ATOM 0 HZ1 LYS A 64 -29.173 -13.265 -36.328 1.00 0.04 H new ATOM 0 HZ2 LYS A 64 -29.350 -14.202 -37.733 1.00 0.04 H new ATOM 0 HZ3 LYS A 64 -27.900 -14.261 -36.850 1.00 0.04 H new ATOM 683 N GLY A 65 -28.450 -10.834 -44.359 1.00 54.14 N ATOM 684 CA GLY A 65 -29.637 -10.582 -45.155 1.00 53.44 C ATOM 685 C GLY A 65 -29.685 -11.430 -46.411 1.00 4.32 C ATOM 686 O GLY A 65 -28.871 -11.274 -47.322 1.00 20.33 O ATOM 0 H GLY A 65 -27.588 -10.932 -44.895 1.00 54.14 H new ATOM 0 HA2 GLY A 65 -30.523 -10.780 -44.552 1.00 53.44 H new ATOM 0 HA3 GLY A 65 -29.669 -9.528 -45.431 1.00 53.44 H new ATOM 690 N PRO A 66 -30.656 -12.353 -46.470 1.00 1.23 N ATOM 691 CA PRO A 66 -30.829 -13.248 -47.618 1.00 25.14 C ATOM 692 C PRO A 66 -31.319 -12.511 -48.859 1.00 51.10 C ATOM 693 O PRO A 66 -31.190 -11.291 -48.960 1.00 3.33 O ATOM 694 CB PRO A 66 -31.886 -14.244 -47.135 1.00 24.33 C ATOM 695 CG PRO A 66 -32.649 -13.509 -46.088 1.00 54.43 C ATOM 696 CD PRO A 66 -31.661 -12.593 -45.421 1.00 23.45 C ATOM 0 HA PRO A 66 -29.890 -13.714 -47.917 1.00 25.14 H new ATOM 0 HB2 PRO A 66 -32.536 -14.558 -47.951 1.00 24.33 H new ATOM 0 HB3 PRO A 66 -31.425 -15.145 -46.730 1.00 24.33 H new ATOM 0 HG2 PRO A 66 -33.470 -12.943 -46.529 1.00 54.43 H new ATOM 0 HG3 PRO A 66 -33.088 -14.200 -45.368 1.00 54.43 H new ATOM 0 HD2 PRO A 66 -32.130 -11.665 -45.094 1.00 23.45 H new ATOM 0 HD3 PRO A 66 -31.218 -13.054 -44.538 1.00 23.45 H new ATOM 704 N ASP A 67 -31.883 -13.259 -49.801 1.00 44.33 N ATOM 705 CA ASP A 67 -32.394 -12.675 -51.036 1.00 73.51 C ATOM 706 C ASP A 67 -33.363 -11.535 -50.738 1.00 24.10 C ATOM 707 O ASP A 67 -33.567 -10.648 -51.567 1.00 23.13 O ATOM 708 CB ASP A 67 -33.090 -13.744 -51.880 1.00 71.51 C ATOM 709 CG ASP A 67 -34.452 -14.120 -51.331 1.00 15.41 C ATOM 710 OD1 ASP A 67 -35.454 -13.942 -52.056 1.00 32.34 O ATOM 711 OD2 ASP A 67 -34.517 -14.591 -50.177 1.00 20.34 O ATOM 0 H ASP A 67 -31.998 -14.270 -49.733 1.00 44.33 H new ATOM 0 HA ASP A 67 -31.549 -12.273 -51.596 1.00 73.51 H new ATOM 0 HB2 ASP A 67 -33.201 -13.381 -52.902 1.00 71.51 H new ATOM 0 HB3 ASP A 67 -32.461 -14.633 -51.925 1.00 71.51 H new ATOM 716 N SER A 68 -33.957 -11.566 -49.550 1.00 12.24 N ATOM 717 CA SER A 68 -34.908 -10.537 -49.144 1.00 32.52 C ATOM 718 C SER A 68 -34.206 -9.418 -48.381 1.00 64.40 C ATOM 719 O SER A 68 -34.836 -8.666 -47.638 1.00 31.10 O ATOM 720 CB SER A 68 -36.011 -11.147 -48.276 1.00 53.24 C ATOM 721 OG SER A 68 -36.661 -12.211 -48.950 1.00 44.02 O ATOM 0 H SER A 68 -33.797 -12.292 -48.852 1.00 12.24 H new ATOM 0 HA SER A 68 -35.354 -10.114 -50.044 1.00 32.52 H new ATOM 0 HB2 SER A 68 -35.583 -11.511 -47.342 1.00 53.24 H new ATOM 0 HB3 SER A 68 -36.739 -10.379 -48.015 1.00 53.24 H new ATOM 0 HG SER A 68 -37.360 -12.585 -48.374 1.00 44.02 H new ATOM 727 N LYS A 69 -32.895 -9.315 -48.570 1.00 45.33 N ATOM 728 CA LYS A 69 -32.103 -8.288 -47.903 1.00 15.24 C ATOM 729 C LYS A 69 -32.751 -6.916 -48.058 1.00 11.53 C ATOM 730 O LYS A 69 -33.620 -6.721 -48.908 1.00 62.21 O ATOM 731 CB LYS A 69 -30.683 -8.260 -48.470 1.00 65.12 C ATOM 732 CG LYS A 69 -30.623 -8.474 -49.973 1.00 35.12 C ATOM 733 CD LYS A 69 -31.323 -7.354 -50.724 1.00 14.35 C ATOM 734 CE LYS A 69 -30.774 -5.991 -50.330 1.00 51.01 C ATOM 735 NZ LYS A 69 -31.375 -4.896 -51.141 1.00 2.33 N1+ ATOM 0 H LYS A 69 -32.358 -9.931 -49.180 1.00 45.33 H new ATOM 0 HA LYS A 69 -32.058 -8.532 -46.842 1.00 15.24 H new ATOM 0 HB2 LYS A 69 -30.224 -7.301 -48.229 1.00 65.12 H new ATOM 0 HB3 LYS A 69 -30.089 -9.030 -47.978 1.00 65.12 H new ATOM 0 HG2 LYS A 69 -29.582 -8.532 -50.292 1.00 35.12 H new ATOM 0 HG3 LYS A 69 -31.087 -9.428 -50.224 1.00 35.12 H new ATOM 0 HD2 LYS A 69 -31.199 -7.501 -51.797 1.00 14.35 H new ATOM 0 HD3 LYS A 69 -32.393 -7.390 -50.519 1.00 14.35 H new ATOM 0 HE2 LYS A 69 -30.972 -5.811 -49.273 1.00 51.01 H new ATOM 0 HE3 LYS A 69 -29.691 -5.985 -50.457 1.00 51.01 H new ATOM 0 HZ1 LYS A 69 -30.622 -4.273 -51.496 1.00 2.33 H new ATOM 0 HZ2 LYS A 69 -31.894 -5.304 -51.945 1.00 2.33 H new ATOM 0 HZ3 LYS A 69 -32.030 -4.345 -50.550 1.00 2.33 H new ATOM 749 N ASP A 70 -32.322 -5.967 -47.232 1.00 62.33 N ATOM 750 CA ASP A 70 -32.858 -4.612 -47.280 1.00 32.02 C ATOM 751 C ASP A 70 -31.815 -3.598 -46.819 1.00 34.40 C ATOM 752 O ASP A 70 -30.676 -3.956 -46.525 1.00 22.13 O ATOM 753 CB ASP A 70 -34.111 -4.506 -46.409 1.00 2.44 C ATOM 754 CG ASP A 70 -35.310 -5.191 -47.033 1.00 32.20 C ATOM 755 OD1 ASP A 70 -35.777 -4.723 -48.093 1.00 2.23 O ATOM 756 OD2 ASP A 70 -35.782 -6.197 -46.462 1.00 42.34 O ATOM 0 H ASP A 70 -31.605 -6.112 -46.521 1.00 62.33 H new ATOM 0 HA ASP A 70 -33.123 -4.389 -48.313 1.00 32.02 H new ATOM 0 HB2 ASP A 70 -33.910 -4.949 -45.434 1.00 2.44 H new ATOM 0 HB3 ASP A 70 -34.344 -3.455 -46.240 1.00 2.44 H new ATOM 761 N ASN A 71 -32.214 -2.332 -46.760 1.00 12.10 N ATOM 762 CA ASN A 71 -31.313 -1.266 -46.337 1.00 15.14 C ATOM 763 C ASN A 71 -31.274 -1.159 -44.815 1.00 62.52 C ATOM 764 O ASN A 71 -30.752 -0.190 -44.263 1.00 63.00 O ATOM 765 CB ASN A 71 -31.751 0.070 -46.941 1.00 62.23 C ATOM 766 CG ASN A 71 -31.577 0.107 -48.447 1.00 54.04 C ATOM 767 OD1 ASN A 71 -30.612 0.675 -48.958 1.00 62.44 O ATOM 768 ND2 ASN A 71 -32.515 -0.499 -49.166 1.00 33.41 N ATOM 0 H ASN A 71 -33.155 -2.019 -47.000 1.00 12.10 H new ATOM 0 HA ASN A 71 -30.312 -1.508 -46.693 1.00 15.14 H new ATOM 0 HB2 ASN A 71 -32.797 0.252 -46.694 1.00 62.23 H new ATOM 0 HB3 ASN A 71 -31.172 0.877 -46.491 1.00 62.23 H new ATOM 0 HD21 ASN A 71 -32.452 -0.506 -50.184 1.00 33.41 H new ATOM 0 HD22 ASN A 71 -33.298 -0.958 -48.700 1.00 33.41 H new ATOM 775 N LEU A 72 -31.828 -2.162 -44.143 1.00 31.20 N ATOM 776 CA LEU A 72 -31.856 -2.183 -42.685 1.00 1.35 C ATOM 777 C LEU A 72 -30.466 -1.928 -42.110 1.00 12.22 C ATOM 778 O LEU A 72 -29.461 -2.059 -42.808 1.00 70.04 O ATOM 779 CB LEU A 72 -32.389 -3.526 -42.184 1.00 21.22 C ATOM 780 CG LEU A 72 -33.908 -3.695 -42.204 1.00 35.13 C ATOM 781 CD1 LEU A 72 -34.293 -5.113 -41.811 1.00 72.14 C ATOM 782 CD2 LEU A 72 -34.569 -2.685 -41.277 1.00 35.43 C ATOM 0 H LEU A 72 -32.264 -2.971 -44.585 1.00 31.20 H new ATOM 0 HA LEU A 72 -32.520 -1.387 -42.348 1.00 1.35 H new ATOM 0 HB2 LEU A 72 -31.947 -4.318 -42.789 1.00 21.22 H new ATOM 0 HB3 LEU A 72 -32.041 -3.674 -41.162 1.00 21.22 H new ATOM 0 HG LEU A 72 -34.261 -3.513 -43.219 1.00 35.13 H new ATOM 0 HD11 LEU A 72 -35.378 -5.214 -41.831 1.00 72.14 H new ATOM 0 HD12 LEU A 72 -33.850 -5.818 -42.514 1.00 72.14 H new ATOM 0 HD13 LEU A 72 -33.927 -5.324 -40.806 1.00 72.14 H new ATOM 0 HD21 LEU A 72 -35.650 -2.820 -41.304 1.00 35.43 H new ATOM 0 HD22 LEU A 72 -34.210 -2.836 -40.259 1.00 35.43 H new ATOM 0 HD23 LEU A 72 -34.321 -1.675 -41.603 1.00 35.43 H new ATOM 794 N ASP A 73 -30.417 -1.565 -40.833 1.00 33.12 N ATOM 795 CA ASP A 73 -29.151 -1.295 -40.163 1.00 24.14 C ATOM 796 C ASP A 73 -28.811 -2.407 -39.174 1.00 40.44 C ATOM 797 O ASP A 73 -29.700 -3.023 -38.588 1.00 62.14 O ATOM 798 CB ASP A 73 -29.210 0.050 -39.436 1.00 61.51 C ATOM 799 CG ASP A 73 -29.131 1.226 -40.389 1.00 12.22 C ATOM 800 OD1 ASP A 73 -28.493 2.239 -40.030 1.00 74.44 O ATOM 801 OD2 ASP A 73 -29.707 1.134 -41.493 1.00 45.41 O ATOM 0 H ASP A 73 -31.240 -1.451 -40.241 1.00 33.12 H new ATOM 0 HA ASP A 73 -28.369 -1.255 -40.921 1.00 24.14 H new ATOM 0 HB2 ASP A 73 -30.136 0.111 -38.864 1.00 61.51 H new ATOM 0 HB3 ASP A 73 -28.390 0.110 -38.721 1.00 61.51 H new ATOM 806 N GLY A 74 -27.518 -2.658 -38.995 1.00 45.24 N ATOM 807 CA GLY A 74 -27.083 -3.696 -38.079 1.00 14.33 C ATOM 808 C GLY A 74 -26.886 -3.178 -36.668 1.00 0.31 C ATOM 809 O GLY A 74 -26.878 -1.968 -36.437 1.00 52.03 O ATOM 0 H GLY A 74 -26.764 -2.161 -39.468 1.00 45.24 H new ATOM 0 HA2 GLY A 74 -27.820 -4.499 -38.068 1.00 14.33 H new ATOM 0 HA3 GLY A 74 -26.148 -4.126 -38.439 1.00 14.33 H new ATOM 813 N THR A 75 -26.727 -4.095 -35.719 1.00 33.21 N ATOM 814 CA THR A 75 -26.532 -3.725 -34.323 1.00 31.01 C ATOM 815 C THR A 75 -25.105 -4.015 -33.872 1.00 12.04 C ATOM 816 O THR A 75 -24.373 -4.755 -34.529 1.00 74.43 O ATOM 817 CB THR A 75 -27.512 -4.474 -33.401 1.00 34.13 C ATOM 818 OG1 THR A 75 -28.686 -4.845 -34.132 1.00 34.22 O ATOM 819 CG2 THR A 75 -27.902 -3.611 -32.210 1.00 21.20 C ATOM 0 H THR A 75 -26.729 -5.100 -35.892 1.00 33.21 H new ATOM 0 HA THR A 75 -26.723 -2.654 -34.250 1.00 31.01 H new ATOM 0 HB THR A 75 -27.015 -5.371 -33.032 1.00 34.13 H new ATOM 0 HG1 THR A 75 -29.303 -5.322 -33.539 1.00 34.22 H new ATOM 0 HG21 THR A 75 -28.595 -4.161 -31.573 1.00 21.20 H new ATOM 0 HG22 THR A 75 -27.010 -3.354 -31.639 1.00 21.20 H new ATOM 0 HG23 THR A 75 -28.381 -2.698 -32.564 1.00 21.20 H new ATOM 827 N CYS A 76 -24.715 -3.428 -32.745 1.00 40.33 N ATOM 828 CA CYS A 76 -23.375 -3.623 -32.205 1.00 11.01 C ATOM 829 C CYS A 76 -23.437 -4.171 -30.782 1.00 41.10 C ATOM 830 O CYS A 76 -24.308 -3.794 -29.998 1.00 2.34 O ATOM 831 CB CYS A 76 -22.598 -2.305 -32.222 1.00 55.13 C ATOM 832 SG CYS A 76 -21.159 -2.305 -33.339 1.00 11.31 S ATOM 0 H CYS A 76 -25.309 -2.813 -32.188 1.00 40.33 H new ATOM 0 HA CYS A 76 -22.859 -4.349 -32.834 1.00 11.01 H new ATOM 0 HB2 CYS A 76 -23.273 -1.501 -32.516 1.00 55.13 H new ATOM 0 HB3 CYS A 76 -22.259 -2.082 -31.210 1.00 55.13 H new ATOM 837 N TYR A 77 -22.507 -5.062 -30.457 1.00 12.05 N ATOM 838 CA TYR A 77 -22.457 -5.664 -29.129 1.00 43.34 C ATOM 839 C TYR A 77 -21.058 -5.548 -28.532 1.00 23.42 C ATOM 840 O TYR A 77 -20.057 -5.623 -29.245 1.00 65.25 O ATOM 841 CB TYR A 77 -22.875 -7.133 -29.197 1.00 30.54 C ATOM 842 CG TYR A 77 -24.054 -7.386 -30.109 1.00 30.41 C ATOM 843 CD1 TYR A 77 -23.875 -7.558 -31.476 1.00 70.21 C ATOM 844 CD2 TYR A 77 -25.347 -7.452 -29.604 1.00 63.52 C ATOM 845 CE1 TYR A 77 -24.949 -7.789 -32.314 1.00 12.23 C ATOM 846 CE2 TYR A 77 -26.427 -7.684 -30.434 1.00 25.10 C ATOM 847 CZ TYR A 77 -26.223 -7.851 -31.788 1.00 22.42 C ATOM 848 OH TYR A 77 -27.296 -8.081 -32.618 1.00 10.10 O ATOM 0 H TYR A 77 -21.778 -5.383 -31.094 1.00 12.05 H new ATOM 0 HA TYR A 77 -23.153 -5.125 -28.486 1.00 43.34 H new ATOM 0 HB2 TYR A 77 -22.028 -7.728 -29.539 1.00 30.54 H new ATOM 0 HB3 TYR A 77 -23.122 -7.478 -28.193 1.00 30.54 H new ATOM 0 HD1 TYR A 77 -22.879 -7.510 -31.891 1.00 70.21 H new ATOM 0 HD2 TYR A 77 -25.510 -7.320 -28.545 1.00 63.52 H new ATOM 0 HE1 TYR A 77 -24.792 -7.920 -33.374 1.00 12.23 H new ATOM 0 HE2 TYR A 77 -27.425 -7.734 -30.025 1.00 25.10 H new ATOM 0 HH TYR A 77 -28.121 -8.096 -32.089 1.00 10.10 H new