USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=8 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 Single : A 37 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.4!) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.101 (180deg=-0.761) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -50:sc= 0.0683 USER MOD Single : A 69 LYS NZ :NH3+ -134:sc= 1.23 (180deg=0.387) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 106:sc= -11.8! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 232 N CYS A 35 -19.357 -2.265 -23.513 1.00 41.04 N ATOM 233 CA CYS A 35 -19.461 -1.584 -24.798 1.00 40.22 C ATOM 234 C CYS A 35 -20.809 -0.882 -24.934 1.00 72.12 C ATOM 235 O CYS A 35 -21.697 -1.055 -24.100 1.00 13.30 O ATOM 236 CB CYS A 35 -19.274 -2.580 -25.944 1.00 74.30 C ATOM 237 SG CYS A 35 -18.404 -1.896 -27.390 1.00 44.23 S ATOM 0 HA CYS A 35 -18.673 -0.832 -24.847 1.00 40.22 H new ATOM 0 HB2 CYS A 35 -18.719 -3.443 -25.574 1.00 74.30 H new ATOM 0 HB3 CYS A 35 -20.253 -2.942 -26.260 1.00 74.30 H new ATOM 242 N ALA A 36 -20.954 -0.090 -25.992 1.00 21.42 N ATOM 243 CA ALA A 36 -22.194 0.635 -26.239 1.00 4.42 C ATOM 244 C ALA A 36 -23.132 -0.169 -27.131 1.00 73.23 C ATOM 245 O ALA A 36 -22.718 -1.131 -27.777 1.00 4.22 O ATOM 246 CB ALA A 36 -21.896 1.989 -26.867 1.00 14.14 C ATOM 0 H ALA A 36 -20.228 0.065 -26.691 1.00 21.42 H new ATOM 0 HA ALA A 36 -22.692 0.791 -25.282 1.00 4.42 H new ATOM 0 HB1 ALA A 36 -22.831 2.520 -27.046 1.00 14.14 H new ATOM 0 HB2 ALA A 36 -21.270 2.573 -26.192 1.00 14.14 H new ATOM 0 HB3 ALA A 36 -21.374 1.844 -27.813 1.00 14.14 H new ATOM 252 N ASN A 37 -24.399 0.231 -27.162 1.00 75.41 N ATOM 253 CA ASN A 37 -25.398 -0.455 -27.975 1.00 43.21 C ATOM 254 C ASN A 37 -25.438 0.121 -29.387 1.00 41.22 C ATOM 255 O ASN A 37 -26.360 -0.153 -30.155 1.00 52.02 O ATOM 256 CB ASN A 37 -26.779 -0.342 -27.327 1.00 2.24 C ATOM 257 CG ASN A 37 -27.860 -1.017 -28.148 1.00 31.12 C ATOM 258 OD1 ASN A 37 -28.980 -0.516 -28.252 1.00 62.22 O ATOM 259 ND2 ASN A 37 -27.529 -2.161 -28.735 1.00 61.04 N ATOM 0 H ASN A 37 -24.759 1.026 -26.634 1.00 75.41 H new ATOM 0 HA ASN A 37 -25.119 -1.507 -28.038 1.00 43.21 H new ATOM 0 HB2 ASN A 37 -26.749 -0.789 -26.333 1.00 2.24 H new ATOM 0 HB3 ASN A 37 -27.030 0.710 -27.195 1.00 2.24 H new ATOM 0 HD21 ASN A 37 -28.215 -2.662 -29.300 1.00 61.04 H new ATOM 0 HD22 ASN A 37 -26.589 -2.539 -28.621 1.00 61.04 H new ATOM 266 N VAL A 38 -24.431 0.921 -29.723 1.00 43.02 N ATOM 267 CA VAL A 38 -24.349 1.535 -31.043 1.00 74.33 C ATOM 268 C VAL A 38 -24.613 0.512 -32.142 1.00 72.52 C ATOM 269 O VAL A 38 -24.205 -0.646 -32.040 1.00 51.10 O ATOM 270 CB VAL A 38 -22.971 2.180 -31.278 1.00 42.22 C ATOM 271 CG1 VAL A 38 -22.620 3.122 -30.136 1.00 55.24 C ATOM 272 CG2 VAL A 38 -21.903 1.109 -31.444 1.00 1.53 C ATOM 0 H VAL A 38 -23.660 1.159 -29.099 1.00 43.02 H new ATOM 0 HA VAL A 38 -25.115 2.310 -31.080 1.00 74.33 H new ATOM 0 HB VAL A 38 -23.014 2.763 -32.198 1.00 42.22 H new ATOM 0 HG11 VAL A 38 -21.643 3.568 -30.320 1.00 55.24 H new ATOM 0 HG12 VAL A 38 -23.371 3.909 -30.069 1.00 55.24 H new ATOM 0 HG13 VAL A 38 -22.594 2.565 -29.200 1.00 55.24 H new ATOM 0 HG21 VAL A 38 -20.935 1.583 -31.609 1.00 1.53 H new ATOM 0 HG22 VAL A 38 -21.858 0.497 -30.543 1.00 1.53 H new ATOM 0 HG23 VAL A 38 -22.149 0.479 -32.299 1.00 1.53 H new ATOM 282 N THR A 39 -25.299 0.946 -33.195 1.00 63.44 N ATOM 283 CA THR A 39 -25.618 0.068 -34.314 1.00 71.21 C ATOM 284 C THR A 39 -25.012 0.589 -35.612 1.00 63.41 C ATOM 285 O THR A 39 -24.765 1.786 -35.758 1.00 12.23 O ATOM 286 CB THR A 39 -27.141 -0.080 -34.495 1.00 64.11 C ATOM 287 OG1 THR A 39 -27.692 1.134 -35.016 1.00 53.22 O ATOM 288 CG2 THR A 39 -27.812 -0.422 -33.174 1.00 30.04 C ATOM 0 H THR A 39 -25.644 1.900 -33.296 1.00 63.44 H new ATOM 0 HA THR A 39 -25.190 -0.907 -34.082 1.00 71.21 H new ATOM 0 HB THR A 39 -27.324 -0.893 -35.198 1.00 64.11 H new ATOM 0 HG1 THR A 39 -28.660 1.032 -35.130 1.00 53.22 H new ATOM 0 HG21 THR A 39 -28.887 -0.521 -33.327 1.00 30.04 H new ATOM 0 HG22 THR A 39 -27.411 -1.362 -32.795 1.00 30.04 H new ATOM 0 HG23 THR A 39 -27.620 0.372 -32.452 1.00 30.04 H new ATOM 296 N CYS A 40 -24.774 -0.318 -36.554 1.00 23.00 N ATOM 297 CA CYS A 40 -24.196 0.049 -37.841 1.00 51.32 C ATOM 298 C CYS A 40 -25.179 -0.224 -38.976 1.00 42.12 C ATOM 299 O CYS A 40 -26.134 -0.983 -38.814 1.00 72.34 O ATOM 300 CB CYS A 40 -22.897 -0.723 -38.080 1.00 1.33 C ATOM 301 SG CYS A 40 -22.345 -1.709 -36.651 1.00 2.41 S ATOM 0 H CYS A 40 -24.973 -1.313 -36.450 1.00 23.00 H new ATOM 0 HA CYS A 40 -23.977 1.117 -37.821 1.00 51.32 H new ATOM 0 HB2 CYS A 40 -23.033 -1.386 -38.935 1.00 1.33 H new ATOM 0 HB3 CYS A 40 -22.111 -0.017 -38.346 1.00 1.33 H new ATOM 306 N ARG A 41 -24.936 0.400 -40.124 1.00 55.22 N ATOM 307 CA ARG A 41 -25.800 0.225 -41.286 1.00 1.41 C ATOM 308 C ARG A 41 -25.003 -0.279 -42.485 1.00 25.20 C ATOM 309 O ARG A 41 -24.013 0.333 -42.887 1.00 22.22 O ATOM 310 CB ARG A 41 -26.491 1.544 -41.638 1.00 4.33 C ATOM 311 CG ARG A 41 -25.524 2.691 -41.884 1.00 10.35 C ATOM 312 CD ARG A 41 -26.188 4.039 -41.650 1.00 53.24 C ATOM 313 NE ARG A 41 -27.337 4.243 -42.529 1.00 63.24 N ATOM 314 CZ ARG A 41 -28.271 5.162 -42.316 1.00 53.33 C ATOM 315 NH1 ARG A 41 -28.193 5.959 -41.259 1.00 54.14 N1+ ATOM 316 NH2 ARG A 41 -29.286 5.287 -43.162 1.00 34.42 N ATOM 0 H ARG A 41 -24.149 1.031 -40.275 1.00 55.22 H new ATOM 0 HA ARG A 41 -26.557 -0.518 -41.036 1.00 1.41 H new ATOM 0 HB2 ARG A 41 -27.102 1.398 -42.529 1.00 4.33 H new ATOM 0 HB3 ARG A 41 -27.168 1.817 -40.828 1.00 4.33 H new ATOM 0 HG2 ARG A 41 -24.662 2.589 -41.225 1.00 10.35 H new ATOM 0 HG3 ARG A 41 -25.151 2.641 -42.907 1.00 10.35 H new ATOM 0 HD2 ARG A 41 -26.510 4.109 -40.611 1.00 53.24 H new ATOM 0 HD3 ARG A 41 -25.461 4.835 -41.813 1.00 53.24 H new ATOM 0 HE ARG A 41 -27.426 3.647 -43.352 1.00 63.24 H new ATOM 0 HH11 ARG A 41 -27.414 5.867 -40.607 1.00 54.14 H new ATOM 0 HH12 ARG A 41 -28.912 6.664 -41.098 1.00 54.14 H new ATOM 0 HH21 ARG A 41 -29.349 4.677 -43.977 1.00 34.42 H new ATOM 0 HH22 ARG A 41 -30.003 5.993 -42.997 1.00 34.42 H new ATOM 330 N ARG A 42 -25.440 -1.399 -43.051 1.00 73.03 N ATOM 331 CA ARG A 42 -24.767 -1.987 -44.203 1.00 5.31 C ATOM 332 C ARG A 42 -25.779 -2.543 -45.199 1.00 71.45 C ATOM 333 O ARG A 42 -26.571 -3.427 -44.869 1.00 51.14 O ATOM 334 CB ARG A 42 -23.815 -3.097 -43.752 1.00 52.23 C ATOM 335 CG ARG A 42 -22.489 -2.582 -43.217 1.00 61.32 C ATOM 336 CD ARG A 42 -22.038 -3.369 -41.997 1.00 23.23 C ATOM 337 NE ARG A 42 -22.951 -3.202 -40.869 1.00 71.45 N ATOM 338 CZ ARG A 42 -22.910 -3.952 -39.773 1.00 50.52 C ATOM 339 NH1 ARG A 42 -22.005 -4.913 -39.657 1.00 61.41 N1+ ATOM 340 NH2 ARG A 42 -23.775 -3.739 -38.790 1.00 13.30 N ATOM 0 H ARG A 42 -26.258 -1.918 -42.730 1.00 73.03 H new ATOM 0 HA ARG A 42 -24.192 -1.203 -44.696 1.00 5.31 H new ATOM 0 HB2 ARG A 42 -24.303 -3.691 -42.979 1.00 52.23 H new ATOM 0 HB3 ARG A 42 -23.624 -3.764 -44.593 1.00 52.23 H new ATOM 0 HG2 ARG A 42 -21.730 -2.650 -43.996 1.00 61.32 H new ATOM 0 HG3 ARG A 42 -22.585 -1.528 -42.956 1.00 61.32 H new ATOM 0 HD2 ARG A 42 -21.968 -4.426 -42.253 1.00 23.23 H new ATOM 0 HD3 ARG A 42 -21.039 -3.045 -41.706 1.00 23.23 H new ATOM 0 HE ARG A 42 -23.659 -2.470 -40.926 1.00 71.45 H new ATOM 0 HH11 ARG A 42 -21.337 -5.079 -40.410 1.00 61.41 H new ATOM 0 HH12 ARG A 42 -21.976 -5.487 -38.814 1.00 61.41 H new ATOM 0 HH21 ARG A 42 -24.472 -2.999 -38.875 1.00 13.30 H new ATOM 0 HH22 ARG A 42 -23.743 -4.315 -37.949 1.00 13.30 H new ATOM 354 N THR A 43 -25.749 -2.020 -46.421 1.00 64.13 N ATOM 355 CA THR A 43 -26.664 -2.463 -47.465 1.00 41.34 C ATOM 356 C THR A 43 -25.984 -2.461 -48.830 1.00 1.23 C ATOM 357 O THR A 43 -25.049 -1.695 -49.068 1.00 34.52 O ATOM 358 CB THR A 43 -27.918 -1.571 -47.528 1.00 50.43 C ATOM 359 OG1 THR A 43 -27.553 -0.238 -47.904 1.00 1.25 O ATOM 360 CG2 THR A 43 -28.633 -1.547 -46.186 1.00 32.01 C ATOM 0 H THR A 43 -25.100 -1.289 -46.712 1.00 64.13 H new ATOM 0 HA THR A 43 -26.963 -3.480 -47.212 1.00 41.34 H new ATOM 0 HB THR A 43 -28.595 -1.986 -48.275 1.00 50.43 H new ATOM 0 HG1 THR A 43 -28.356 0.322 -47.943 1.00 1.25 H new ATOM 0 HG21 THR A 43 -29.515 -0.911 -46.255 1.00 32.01 H new ATOM 0 HG22 THR A 43 -28.936 -2.559 -45.917 1.00 32.01 H new ATOM 0 HG23 THR A 43 -27.961 -1.154 -45.423 1.00 32.01 H new ATOM 368 N VAL A 44 -26.459 -3.322 -49.724 1.00 10.01 N ATOM 369 CA VAL A 44 -25.898 -3.418 -51.066 1.00 63.21 C ATOM 370 C VAL A 44 -26.933 -3.934 -52.059 1.00 51.11 C ATOM 371 O VAL A 44 -27.463 -5.034 -51.904 1.00 63.41 O ATOM 372 CB VAL A 44 -24.668 -4.345 -51.095 1.00 72.41 C ATOM 373 CG1 VAL A 44 -24.958 -5.640 -50.350 1.00 45.42 C ATOM 374 CG2 VAL A 44 -24.249 -4.629 -52.530 1.00 2.43 C ATOM 0 H VAL A 44 -27.231 -3.963 -49.543 1.00 10.01 H new ATOM 0 HA VAL A 44 -25.593 -2.412 -51.354 1.00 63.21 H new ATOM 0 HB VAL A 44 -23.843 -3.841 -50.592 1.00 72.41 H new ATOM 0 HG11 VAL A 44 -24.078 -6.282 -50.381 1.00 45.42 H new ATOM 0 HG12 VAL A 44 -25.207 -5.415 -49.313 1.00 45.42 H new ATOM 0 HG13 VAL A 44 -25.797 -6.151 -50.822 1.00 45.42 H new ATOM 0 HG21 VAL A 44 -23.379 -5.285 -52.532 1.00 2.43 H new ATOM 0 HG22 VAL A 44 -25.070 -5.113 -53.060 1.00 2.43 H new ATOM 0 HG23 VAL A 44 -23.998 -3.692 -53.028 1.00 2.43 H new ATOM 384 N ASP A 45 -27.217 -3.132 -53.079 1.00 42.14 N ATOM 385 CA ASP A 45 -28.188 -3.508 -54.100 1.00 53.41 C ATOM 386 C ASP A 45 -27.602 -3.336 -55.498 1.00 22.11 C ATOM 387 O ASP A 45 -26.739 -2.487 -55.720 1.00 33.32 O ATOM 388 CB ASP A 45 -29.458 -2.667 -53.960 1.00 13.02 C ATOM 389 CG ASP A 45 -30.431 -3.251 -52.954 1.00 70.13 C ATOM 390 OD1 ASP A 45 -31.534 -3.664 -53.368 1.00 34.12 O ATOM 391 OD2 ASP A 45 -30.089 -3.294 -51.754 1.00 33.53 O ATOM 0 H ASP A 45 -26.789 -2.217 -53.221 1.00 42.14 H new ATOM 0 HA ASP A 45 -28.439 -4.559 -53.958 1.00 53.41 H new ATOM 0 HB2 ASP A 45 -29.189 -1.656 -53.656 1.00 13.02 H new ATOM 0 HB3 ASP A 45 -29.947 -2.588 -54.931 1.00 13.02 H new ATOM 396 N ASN A 46 -28.075 -4.149 -56.437 1.00 14.13 N ATOM 397 CA ASN A 46 -27.597 -4.088 -57.813 1.00 24.21 C ATOM 398 C ASN A 46 -26.072 -4.064 -57.858 1.00 22.22 C ATOM 399 O ASN A 46 -25.477 -3.548 -58.804 1.00 4.34 O ATOM 400 CB ASN A 46 -28.158 -2.851 -58.516 1.00 53.21 C ATOM 401 CG ASN A 46 -29.500 -3.117 -59.171 1.00 12.05 C ATOM 402 OD1 ASN A 46 -29.954 -4.259 -59.240 1.00 21.33 O ATOM 403 ND2 ASN A 46 -30.142 -2.060 -59.655 1.00 21.10 N ATOM 0 H ASN A 46 -28.789 -4.858 -56.270 1.00 14.13 H new ATOM 0 HA ASN A 46 -27.945 -4.981 -58.332 1.00 24.21 H new ATOM 0 HB2 ASN A 46 -28.264 -2.042 -57.793 1.00 53.21 H new ATOM 0 HB3 ASN A 46 -27.449 -2.513 -59.271 1.00 53.21 H new ATOM 0 HD21 ASN A 46 -31.049 -2.177 -60.106 1.00 21.10 H new ATOM 0 HD22 ASN A 46 -29.728 -1.131 -59.576 1.00 21.10 H new ATOM 410 N ARG A 47 -25.446 -4.627 -56.829 1.00 51.12 N ATOM 411 CA ARG A 47 -23.991 -4.670 -56.751 1.00 1.33 C ATOM 412 C ARG A 47 -23.484 -6.107 -56.834 1.00 1.53 C ATOM 413 O ARG A 47 -22.433 -6.372 -57.415 1.00 61.24 O ATOM 414 CB ARG A 47 -23.510 -4.022 -55.451 1.00 22.10 C ATOM 415 CG ARG A 47 -22.376 -3.029 -55.648 1.00 61.45 C ATOM 416 CD ARG A 47 -22.358 -1.978 -54.550 1.00 14.10 C ATOM 417 NE ARG A 47 -21.868 -2.517 -53.284 1.00 42.23 N ATOM 418 CZ ARG A 47 -20.600 -2.850 -53.070 1.00 0.04 C ATOM 419 NH1 ARG A 47 -19.700 -2.700 -54.031 1.00 44.12 N1+ ATOM 420 NH2 ARG A 47 -20.231 -3.334 -51.891 1.00 25.04 N ATOM 0 H ARG A 47 -25.924 -5.059 -56.038 1.00 51.12 H new ATOM 0 HA ARG A 47 -23.590 -4.112 -57.597 1.00 1.33 H new ATOM 0 HB2 ARG A 47 -24.349 -3.513 -54.977 1.00 22.10 H new ATOM 0 HB3 ARG A 47 -23.182 -4.803 -54.765 1.00 22.10 H new ATOM 0 HG2 ARG A 47 -21.424 -3.560 -55.660 1.00 61.45 H new ATOM 0 HG3 ARG A 47 -22.482 -2.542 -56.617 1.00 61.45 H new ATOM 0 HD2 ARG A 47 -21.727 -1.144 -54.857 1.00 14.10 H new ATOM 0 HD3 ARG A 47 -23.364 -1.582 -54.410 1.00 14.10 H new ATOM 0 HE ARG A 47 -22.535 -2.645 -52.523 1.00 42.23 H new ATOM 0 HH11 ARG A 47 -19.980 -2.328 -54.938 1.00 44.12 H new ATOM 0 HH12 ARG A 47 -18.727 -2.957 -53.863 1.00 44.12 H new ATOM 0 HH21 ARG A 47 -20.921 -3.450 -51.149 1.00 25.04 H new ATOM 0 HH22 ARG A 47 -19.257 -3.590 -51.727 1.00 25.04 H new ATOM 434 N GLY A 48 -24.239 -7.030 -56.247 1.00 33.22 N ATOM 435 CA GLY A 48 -23.850 -8.428 -56.265 1.00 60.12 C ATOM 436 C GLY A 48 -22.685 -8.718 -55.340 1.00 45.43 C ATOM 437 O GLY A 48 -22.271 -9.868 -55.190 1.00 54.34 O ATOM 0 H GLY A 48 -25.113 -6.835 -55.759 1.00 33.22 H new ATOM 0 HA2 GLY A 48 -24.702 -9.043 -55.975 1.00 60.12 H new ATOM 0 HA3 GLY A 48 -23.582 -8.714 -57.282 1.00 60.12 H new ATOM 441 N LYS A 49 -22.151 -7.672 -54.719 1.00 3.44 N ATOM 442 CA LYS A 49 -21.025 -7.818 -53.803 1.00 50.54 C ATOM 443 C LYS A 49 -21.430 -7.449 -52.380 1.00 31.34 C ATOM 444 O LYS A 49 -22.067 -6.421 -52.152 1.00 10.40 O ATOM 445 CB LYS A 49 -19.856 -6.939 -54.256 1.00 33.23 C ATOM 446 CG LYS A 49 -19.395 -7.224 -55.674 1.00 62.25 C ATOM 447 CD LYS A 49 -18.219 -8.186 -55.696 1.00 4.12 C ATOM 448 CE LYS A 49 -18.669 -9.612 -55.974 1.00 53.43 C ATOM 449 NZ LYS A 49 -19.318 -9.737 -57.309 1.00 33.53 N1+ ATOM 0 H LYS A 49 -22.480 -6.713 -54.833 1.00 3.44 H new ATOM 0 HA LYS A 49 -20.713 -8.862 -53.814 1.00 50.54 H new ATOM 0 HB2 LYS A 49 -20.150 -5.892 -54.182 1.00 33.23 H new ATOM 0 HB3 LYS A 49 -19.018 -7.084 -53.574 1.00 33.23 H new ATOM 0 HG2 LYS A 49 -20.221 -7.644 -56.248 1.00 62.25 H new ATOM 0 HG3 LYS A 49 -19.111 -6.290 -56.160 1.00 62.25 H new ATOM 0 HD2 LYS A 49 -17.506 -7.873 -56.459 1.00 4.12 H new ATOM 0 HD3 LYS A 49 -17.699 -8.148 -54.739 1.00 4.12 H new ATOM 0 HE2 LYS A 49 -17.810 -10.281 -55.924 1.00 53.43 H new ATOM 0 HE3 LYS A 49 -19.367 -9.931 -55.199 1.00 53.43 H new ATOM 0 HZ1 LYS A 49 -19.185 -10.703 -57.670 1.00 33.53 H new ATOM 0 HZ2 LYS A 49 -20.335 -9.537 -57.221 1.00 33.53 H new ATOM 0 HZ3 LYS A 49 -18.888 -9.058 -57.969 1.00 33.53 H new ATOM 463 N ARG A 50 -21.056 -8.295 -51.425 1.00 44.12 N ATOM 464 CA ARG A 50 -21.380 -8.058 -50.024 1.00 10.42 C ATOM 465 C ARG A 50 -20.272 -7.266 -49.336 1.00 1.22 C ATOM 466 O ARG A 50 -19.090 -7.578 -49.480 1.00 65.41 O ATOM 467 CB ARG A 50 -21.599 -9.386 -49.297 1.00 51.30 C ATOM 468 CG ARG A 50 -22.657 -9.317 -48.208 1.00 54.21 C ATOM 469 CD ARG A 50 -24.021 -8.961 -48.779 1.00 12.55 C ATOM 470 NE ARG A 50 -24.258 -9.598 -50.071 1.00 65.10 N ATOM 471 CZ ARG A 50 -24.433 -10.906 -50.224 1.00 52.11 C ATOM 472 NH1 ARG A 50 -24.400 -11.710 -49.171 1.00 22.42 N1+ ATOM 473 NH2 ARG A 50 -24.643 -11.411 -51.433 1.00 33.31 N ATOM 0 H ARG A 50 -20.528 -9.151 -51.597 1.00 44.12 H new ATOM 0 HA ARG A 50 -22.299 -7.474 -49.984 1.00 10.42 H new ATOM 0 HB2 ARG A 50 -21.887 -10.145 -50.024 1.00 51.30 H new ATOM 0 HB3 ARG A 50 -20.656 -9.709 -48.856 1.00 51.30 H new ATOM 0 HG2 ARG A 50 -22.715 -10.277 -47.694 1.00 54.21 H new ATOM 0 HG3 ARG A 50 -22.368 -8.575 -47.464 1.00 54.21 H new ATOM 0 HD2 ARG A 50 -24.798 -9.265 -48.077 1.00 12.55 H new ATOM 0 HD3 ARG A 50 -24.096 -7.879 -48.889 1.00 12.55 H new ATOM 0 HE ARG A 50 -24.291 -9.007 -50.901 1.00 65.10 H new ATOM 0 HH11 ARG A 50 -24.240 -11.325 -48.240 1.00 22.42 H new ATOM 0 HH12 ARG A 50 -24.535 -12.714 -49.291 1.00 22.42 H new ATOM 0 HH21 ARG A 50 -24.670 -10.795 -52.245 1.00 33.31 H new ATOM 0 HH22 ARG A 50 -24.777 -12.415 -51.550 1.00 33.31 H new ATOM 487 N HIS A 51 -20.662 -6.239 -48.588 1.00 14.42 N ATOM 488 CA HIS A 51 -19.702 -5.402 -47.877 1.00 51.32 C ATOM 489 C HIS A 51 -20.022 -5.353 -46.386 1.00 74.22 C ATOM 490 O HIS A 51 -21.136 -5.004 -45.992 1.00 64.50 O ATOM 491 CB HIS A 51 -19.700 -3.987 -48.456 1.00 51.35 C ATOM 492 CG HIS A 51 -18.357 -3.325 -48.415 1.00 53.52 C ATOM 493 ND1 HIS A 51 -17.559 -3.172 -49.529 1.00 22.10 N ATOM 494 CD2 HIS A 51 -17.674 -2.772 -47.386 1.00 11.23 C ATOM 495 CE1 HIS A 51 -16.442 -2.556 -49.186 1.00 43.21 C ATOM 496 NE2 HIS A 51 -16.487 -2.301 -47.891 1.00 21.42 N ATOM 0 H HIS A 51 -21.636 -5.966 -48.458 1.00 14.42 H new ATOM 0 HA HIS A 51 -18.712 -5.840 -48.004 1.00 51.32 H new ATOM 0 HB2 HIS A 51 -20.046 -4.026 -49.489 1.00 51.35 H new ATOM 0 HB3 HIS A 51 -20.414 -3.376 -47.904 1.00 51.35 H new ATOM 0 HD2 HIS A 51 -18.002 -2.712 -46.359 1.00 11.23 H new ATOM 0 HE1 HIS A 51 -15.630 -2.304 -49.852 1.00 43.21 H new ATOM 0 HE2 HIS A 51 -15.759 -1.831 -47.353 1.00 21.42 H new ATOM 504 N ILE A 52 -19.041 -5.706 -45.563 1.00 44.24 N ATOM 505 CA ILE A 52 -19.219 -5.702 -44.117 1.00 5.03 C ATOM 506 C ILE A 52 -18.311 -4.671 -43.454 1.00 13.11 C ATOM 507 O ILE A 52 -17.186 -4.442 -43.899 1.00 13.15 O ATOM 508 CB ILE A 52 -18.930 -7.088 -43.510 1.00 74.03 C ATOM 509 CG1 ILE A 52 -19.852 -8.141 -44.129 1.00 34.04 C ATOM 510 CG2 ILE A 52 -19.099 -7.050 -41.999 1.00 20.42 C ATOM 511 CD1 ILE A 52 -19.832 -9.466 -43.399 1.00 4.23 C ATOM 0 H ILE A 52 -18.114 -5.998 -45.873 1.00 44.24 H new ATOM 0 HA ILE A 52 -20.260 -5.441 -43.928 1.00 5.03 H new ATOM 0 HB ILE A 52 -17.898 -7.359 -43.733 1.00 74.03 H new ATOM 0 HG12 ILE A 52 -20.872 -7.757 -44.141 1.00 34.04 H new ATOM 0 HG13 ILE A 52 -19.560 -8.303 -45.167 1.00 34.04 H new ATOM 0 HG21 ILE A 52 -18.891 -8.037 -41.585 1.00 20.42 H new ATOM 0 HG22 ILE A 52 -18.406 -6.325 -41.573 1.00 20.42 H new ATOM 0 HG23 ILE A 52 -20.121 -6.762 -41.754 1.00 20.42 H new ATOM 0 HD11 ILE A 52 -20.508 -10.164 -43.893 1.00 4.23 H new ATOM 0 HD12 ILE A 52 -18.821 -9.872 -43.410 1.00 4.23 H new ATOM 0 HD13 ILE A 52 -20.153 -9.318 -42.368 1.00 4.23 H new ATOM 523 N ASP A 53 -18.807 -4.053 -42.388 1.00 33.24 N ATOM 524 CA ASP A 53 -18.040 -3.048 -41.661 1.00 35.13 C ATOM 525 C ASP A 53 -17.474 -3.627 -40.368 1.00 11.12 C ATOM 526 O ASP A 53 -17.873 -4.706 -39.932 1.00 23.02 O ATOM 527 CB ASP A 53 -18.917 -1.834 -41.350 1.00 3.24 C ATOM 528 CG ASP A 53 -18.103 -0.575 -41.124 1.00 4.10 C ATOM 529 OD1 ASP A 53 -16.917 -0.556 -41.517 1.00 72.11 O ATOM 530 OD2 ASP A 53 -18.651 0.392 -40.555 1.00 71.22 O ATOM 0 H ASP A 53 -19.737 -4.230 -42.008 1.00 33.24 H new ATOM 0 HA ASP A 53 -17.208 -2.734 -42.292 1.00 35.13 H new ATOM 0 HB2 ASP A 53 -19.612 -1.671 -42.174 1.00 3.24 H new ATOM 0 HB3 ASP A 53 -19.516 -2.040 -40.463 1.00 3.24 H new ATOM 535 N GLY A 54 -16.541 -2.901 -39.759 1.00 65.44 N ATOM 536 CA GLY A 54 -15.934 -3.359 -38.523 1.00 64.44 C ATOM 537 C GLY A 54 -16.485 -2.643 -37.307 1.00 22.05 C ATOM 538 O GLY A 54 -16.851 -1.470 -37.380 1.00 51.34 O ATOM 0 H GLY A 54 -16.195 -2.004 -40.100 1.00 65.44 H new ATOM 0 HA2 GLY A 54 -16.100 -4.431 -38.416 1.00 64.44 H new ATOM 0 HA3 GLY A 54 -14.856 -3.207 -38.573 1.00 64.44 H new ATOM 542 N CYS A 55 -16.546 -3.350 -36.183 1.00 50.00 N ATOM 543 CA CYS A 55 -17.059 -2.776 -34.945 1.00 24.02 C ATOM 544 C CYS A 55 -15.931 -2.551 -33.942 1.00 2.12 C ATOM 545 O CYS A 55 -14.877 -3.185 -34.002 1.00 51.21 O ATOM 546 CB CYS A 55 -18.122 -3.692 -34.336 1.00 13.33 C ATOM 547 SG CYS A 55 -19.812 -3.014 -34.400 1.00 71.23 S ATOM 0 H CYS A 55 -16.246 -4.322 -36.104 1.00 50.00 H new ATOM 0 HA CYS A 55 -17.511 -1.812 -35.180 1.00 24.02 H new ATOM 0 HB2 CYS A 55 -18.105 -4.648 -34.859 1.00 13.33 H new ATOM 0 HB3 CYS A 55 -17.861 -3.893 -33.297 1.00 13.33 H new ATOM 552 N PRO A 56 -16.156 -1.626 -32.996 1.00 63.44 N ATOM 553 CA PRO A 56 -15.171 -1.296 -31.962 1.00 31.42 C ATOM 554 C PRO A 56 -14.990 -2.425 -30.953 1.00 63.50 C ATOM 555 O PRO A 56 -15.711 -3.423 -30.965 1.00 71.12 O ATOM 556 CB PRO A 56 -15.771 -0.063 -31.282 1.00 21.12 C ATOM 557 CG PRO A 56 -17.237 -0.174 -31.521 1.00 31.10 C ATOM 558 CD PRO A 56 -17.389 -0.832 -32.864 1.00 61.44 C ATOM 0 HA PRO A 56 -14.179 -1.128 -32.382 1.00 31.42 H new ATOM 0 HB2 PRO A 56 -15.544 -0.049 -30.216 1.00 21.12 H new ATOM 0 HB3 PRO A 56 -15.369 0.857 -31.706 1.00 21.12 H new ATOM 0 HG2 PRO A 56 -17.716 -0.765 -30.740 1.00 31.10 H new ATOM 0 HG3 PRO A 56 -17.709 0.808 -31.512 1.00 31.10 H new ATOM 0 HD2 PRO A 56 -18.278 -1.461 -32.905 1.00 61.44 H new ATOM 0 HD3 PRO A 56 -17.481 -0.097 -33.664 1.00 61.44 H new ATOM 566 N PRO A 57 -14.004 -2.267 -30.057 1.00 62.24 N ATOM 567 CA PRO A 57 -13.706 -3.263 -29.024 1.00 64.31 C ATOM 568 C PRO A 57 -14.794 -3.337 -27.959 1.00 32.31 C ATOM 569 O PRO A 57 -15.343 -2.317 -27.547 1.00 12.55 O ATOM 570 CB PRO A 57 -12.394 -2.761 -28.415 1.00 14.42 C ATOM 571 CG PRO A 57 -12.395 -1.293 -28.672 1.00 71.31 C ATOM 572 CD PRO A 57 -13.105 -1.103 -29.984 1.00 63.32 C ATOM 0 HA PRO A 57 -13.643 -4.270 -29.435 1.00 64.31 H new ATOM 0 HB2 PRO A 57 -12.345 -2.976 -27.348 1.00 14.42 H new ATOM 0 HB3 PRO A 57 -11.533 -3.243 -28.877 1.00 14.42 H new ATOM 0 HG2 PRO A 57 -12.905 -0.757 -27.871 1.00 71.31 H new ATOM 0 HG3 PRO A 57 -11.378 -0.904 -28.719 1.00 71.31 H new ATOM 0 HD2 PRO A 57 -13.659 -0.165 -30.009 1.00 63.32 H new ATOM 0 HD3 PRO A 57 -12.406 -1.082 -30.820 1.00 63.32 H new ATOM 580 N GLY A 58 -15.102 -4.553 -27.517 1.00 25.04 N ATOM 581 CA GLY A 58 -16.123 -4.737 -26.503 1.00 33.14 C ATOM 582 C GLY A 58 -17.473 -5.088 -27.097 1.00 11.33 C ATOM 583 O GLY A 58 -18.371 -5.546 -26.390 1.00 22.44 O ATOM 0 H GLY A 58 -14.662 -5.414 -27.843 1.00 25.04 H new ATOM 0 HA2 GLY A 58 -15.814 -5.528 -25.819 1.00 33.14 H new ATOM 0 HA3 GLY A 58 -16.215 -3.824 -25.914 1.00 33.14 H new ATOM 587 N CYS A 59 -17.619 -4.870 -28.399 1.00 62.44 N ATOM 588 CA CYS A 59 -18.869 -5.164 -29.089 1.00 72.10 C ATOM 589 C CYS A 59 -18.633 -5.359 -30.584 1.00 32.10 C ATOM 590 O CYS A 59 -17.819 -4.663 -31.191 1.00 45.23 O ATOM 591 CB CYS A 59 -19.877 -4.036 -28.864 1.00 15.33 C ATOM 592 SG CYS A 59 -19.169 -2.364 -29.017 1.00 34.31 S ATOM 0 H CYS A 59 -16.886 -4.490 -28.998 1.00 62.44 H new ATOM 0 HA CYS A 59 -19.272 -6.090 -28.679 1.00 72.10 H new ATOM 0 HB2 CYS A 59 -20.690 -4.142 -29.582 1.00 15.33 H new ATOM 0 HB3 CYS A 59 -20.312 -4.145 -27.871 1.00 15.33 H new ATOM 597 N LEU A 60 -19.351 -6.310 -31.171 1.00 70.14 N ATOM 598 CA LEU A 60 -19.221 -6.597 -32.596 1.00 22.43 C ATOM 599 C LEU A 60 -20.590 -6.680 -33.262 1.00 35.21 C ATOM 600 O LEU A 60 -21.537 -7.225 -32.693 1.00 55.44 O ATOM 601 CB LEU A 60 -18.460 -7.908 -32.804 1.00 45.32 C ATOM 602 CG LEU A 60 -19.310 -9.177 -32.859 1.00 55.11 C ATOM 603 CD1 LEU A 60 -19.758 -9.459 -34.285 1.00 44.41 C ATOM 604 CD2 LEU A 60 -18.538 -10.361 -32.296 1.00 73.45 C ATOM 0 H LEU A 60 -20.029 -6.895 -30.683 1.00 70.14 H new ATOM 0 HA LEU A 60 -18.663 -5.782 -33.056 1.00 22.43 H new ATOM 0 HB2 LEU A 60 -17.895 -7.833 -33.733 1.00 45.32 H new ATOM 0 HB3 LEU A 60 -17.735 -8.015 -31.997 1.00 45.32 H new ATOM 0 HG LEU A 60 -20.198 -9.023 -32.246 1.00 55.11 H new ATOM 0 HD11 LEU A 60 -20.362 -10.366 -34.304 1.00 44.41 H new ATOM 0 HD12 LEU A 60 -20.350 -8.621 -34.653 1.00 44.41 H new ATOM 0 HD13 LEU A 60 -18.883 -9.592 -34.922 1.00 44.41 H new ATOM 0 HD21 LEU A 60 -19.159 -11.256 -32.343 1.00 73.45 H new ATOM 0 HD22 LEU A 60 -17.632 -10.517 -32.882 1.00 73.45 H new ATOM 0 HD23 LEU A 60 -18.269 -10.160 -31.259 1.00 73.45 H new ATOM 616 N CYS A 61 -20.688 -6.139 -34.471 1.00 51.53 N ATOM 617 CA CYS A 61 -21.941 -6.152 -35.217 1.00 63.10 C ATOM 618 C CYS A 61 -21.760 -6.833 -36.571 1.00 15.31 C ATOM 619 O CYS A 61 -21.046 -6.332 -37.440 1.00 13.14 O ATOM 620 CB CYS A 61 -22.456 -4.725 -35.416 1.00 24.22 C ATOM 621 SG CYS A 61 -21.172 -3.535 -35.919 1.00 2.32 S ATOM 0 H CYS A 61 -19.914 -5.685 -34.956 1.00 51.53 H new ATOM 0 HA CYS A 61 -22.673 -6.717 -34.640 1.00 63.10 H new ATOM 0 HB2 CYS A 61 -23.242 -4.736 -36.171 1.00 24.22 H new ATOM 0 HB3 CYS A 61 -22.911 -4.381 -34.487 1.00 24.22 H new ATOM 626 N VAL A 62 -22.414 -7.978 -36.743 1.00 44.41 N ATOM 627 CA VAL A 62 -22.327 -8.727 -37.991 1.00 12.12 C ATOM 628 C VAL A 62 -23.706 -8.920 -38.612 1.00 42.15 C ATOM 629 O VAL A 62 -24.591 -9.528 -38.010 1.00 32.23 O ATOM 630 CB VAL A 62 -21.676 -10.106 -37.774 1.00 15.14 C ATOM 631 CG1 VAL A 62 -22.408 -10.876 -36.685 1.00 21.12 C ATOM 632 CG2 VAL A 62 -21.655 -10.895 -39.074 1.00 20.22 C ATOM 0 H VAL A 62 -23.009 -8.407 -36.034 1.00 44.41 H new ATOM 0 HA VAL A 62 -21.704 -8.143 -38.669 1.00 12.12 H new ATOM 0 HB VAL A 62 -20.646 -9.956 -37.450 1.00 15.14 H new ATOM 0 HG11 VAL A 62 -21.934 -11.848 -36.545 1.00 21.12 H new ATOM 0 HG12 VAL A 62 -22.366 -10.315 -35.752 1.00 21.12 H new ATOM 0 HG13 VAL A 62 -23.449 -11.018 -36.977 1.00 21.12 H new ATOM 0 HG21 VAL A 62 -21.192 -11.867 -38.902 1.00 20.22 H new ATOM 0 HG22 VAL A 62 -22.675 -11.037 -39.430 1.00 20.22 H new ATOM 0 HG23 VAL A 62 -21.083 -10.347 -39.823 1.00 20.22 H new ATOM 642 N LEU A 63 -23.881 -8.399 -39.822 1.00 14.12 N ATOM 643 CA LEU A 63 -25.153 -8.514 -40.527 1.00 72.11 C ATOM 644 C LEU A 63 -24.984 -9.286 -41.832 1.00 34.54 C ATOM 645 O LEU A 63 -24.181 -8.914 -42.687 1.00 21.11 O ATOM 646 CB LEU A 63 -25.727 -7.126 -40.814 1.00 14.40 C ATOM 647 CG LEU A 63 -25.451 -6.560 -42.207 1.00 55.15 C ATOM 648 CD1 LEU A 63 -26.355 -5.369 -42.489 1.00 21.42 C ATOM 649 CD2 LEU A 63 -23.988 -6.165 -42.343 1.00 11.14 C ATOM 0 H LEU A 63 -23.159 -7.893 -40.335 1.00 14.12 H new ATOM 0 HA LEU A 63 -25.846 -9.062 -39.888 1.00 72.11 H new ATOM 0 HB2 LEU A 63 -26.806 -7.164 -40.666 1.00 14.40 H new ATOM 0 HB3 LEU A 63 -25.328 -6.430 -40.076 1.00 14.40 H new ATOM 0 HG LEU A 63 -25.667 -7.336 -42.942 1.00 55.15 H new ATOM 0 HD11 LEU A 63 -26.144 -4.980 -43.485 1.00 21.42 H new ATOM 0 HD12 LEU A 63 -27.397 -5.683 -42.435 1.00 21.42 H new ATOM 0 HD13 LEU A 63 -26.172 -4.590 -41.749 1.00 21.42 H new ATOM 0 HD21 LEU A 63 -23.811 -5.764 -43.341 1.00 11.14 H new ATOM 0 HD22 LEU A 63 -23.745 -5.406 -41.599 1.00 11.14 H new ATOM 0 HD23 LEU A 63 -23.359 -7.041 -42.187 1.00 11.14 H new ATOM 661 N LYS A 64 -25.749 -10.363 -41.979 1.00 23.44 N ATOM 662 CA LYS A 64 -25.687 -11.187 -43.180 1.00 35.41 C ATOM 663 C LYS A 64 -26.929 -10.985 -44.042 1.00 74.41 C ATOM 664 O LYS A 64 -28.055 -11.168 -43.579 1.00 44.32 O ATOM 665 CB LYS A 64 -25.549 -12.664 -42.804 1.00 35.43 C ATOM 666 CG LYS A 64 -26.637 -13.157 -41.864 1.00 43.14 C ATOM 667 CD LYS A 64 -26.418 -14.608 -41.470 1.00 3.21 C ATOM 668 CE LYS A 64 -25.490 -14.725 -40.271 1.00 23.44 C ATOM 669 NZ LYS A 64 -26.245 -14.776 -38.988 1.00 4.30 N1+ ATOM 0 H LYS A 64 -26.419 -10.685 -41.281 1.00 23.44 H new ATOM 0 HA LYS A 64 -24.813 -10.882 -43.755 1.00 35.41 H new ATOM 0 HB2 LYS A 64 -25.566 -13.265 -43.713 1.00 35.43 H new ATOM 0 HB3 LYS A 64 -24.577 -12.822 -42.336 1.00 35.43 H new ATOM 0 HG2 LYS A 64 -26.655 -12.535 -40.969 1.00 43.14 H new ATOM 0 HG3 LYS A 64 -27.610 -13.052 -42.345 1.00 43.14 H new ATOM 0 HD2 LYS A 64 -27.376 -15.071 -41.236 1.00 3.21 H new ATOM 0 HD3 LYS A 64 -25.996 -15.155 -42.313 1.00 3.21 H new ATOM 0 HE2 LYS A 64 -24.881 -15.623 -40.370 1.00 23.44 H new ATOM 0 HE3 LYS A 64 -24.806 -13.876 -40.257 1.00 23.44 H new ATOM 0 HZ1 LYS A 64 -25.577 -14.856 -38.195 1.00 4.30 H new ATOM 0 HZ2 LYS A 64 -26.807 -13.908 -38.881 1.00 4.30 H new ATOM 0 HZ3 LYS A 64 -26.879 -15.600 -38.991 1.00 4.30 H new ATOM 683 N GLY A 65 -26.717 -10.609 -45.300 1.00 21.04 N ATOM 684 CA GLY A 65 -27.829 -10.390 -46.206 1.00 64.24 C ATOM 685 C GLY A 65 -27.568 -10.954 -47.589 1.00 54.12 C ATOM 686 O GLY A 65 -26.736 -10.448 -48.343 1.00 32.24 O ATOM 0 H GLY A 65 -25.795 -10.452 -45.707 1.00 21.04 H new ATOM 0 HA2 GLY A 65 -28.727 -10.850 -45.793 1.00 64.24 H new ATOM 0 HA3 GLY A 65 -28.025 -9.321 -46.284 1.00 64.24 H new ATOM 690 N PRO A 66 -28.291 -12.028 -47.940 1.00 62.11 N ATOM 691 CA PRO A 66 -28.151 -12.685 -49.243 1.00 64.20 C ATOM 692 C PRO A 66 -28.688 -11.829 -50.385 1.00 22.02 C ATOM 693 O PRO A 66 -28.861 -10.619 -50.238 1.00 3.02 O ATOM 694 CB PRO A 66 -28.987 -13.958 -49.090 1.00 63.21 C ATOM 695 CG PRO A 66 -29.988 -13.629 -48.038 1.00 35.34 C ATOM 696 CD PRO A 66 -29.301 -12.684 -47.092 1.00 44.32 C ATOM 0 HA PRO A 66 -27.107 -12.872 -49.495 1.00 64.20 H new ATOM 0 HB2 PRO A 66 -29.472 -14.228 -50.028 1.00 63.21 H new ATOM 0 HB3 PRO A 66 -28.368 -14.805 -48.796 1.00 63.21 H new ATOM 0 HG2 PRO A 66 -30.875 -13.169 -48.474 1.00 35.34 H new ATOM 0 HG3 PRO A 66 -30.318 -14.529 -47.519 1.00 35.34 H new ATOM 0 HD2 PRO A 66 -29.999 -11.963 -46.667 1.00 44.32 H new ATOM 0 HD3 PRO A 66 -28.842 -13.214 -46.257 1.00 44.32 H new ATOM 704 N ASP A 67 -28.950 -12.464 -51.521 1.00 74.45 N ATOM 705 CA ASP A 67 -29.470 -11.761 -52.688 1.00 42.24 C ATOM 706 C ASP A 67 -30.738 -10.988 -52.337 1.00 63.44 C ATOM 707 O ASP A 67 -31.124 -10.057 -53.043 1.00 53.11 O ATOM 708 CB ASP A 67 -29.756 -12.749 -53.820 1.00 54.54 C ATOM 709 CG ASP A 67 -30.856 -13.731 -53.467 1.00 51.43 C ATOM 710 OD1 ASP A 67 -32.017 -13.488 -53.858 1.00 52.43 O ATOM 711 OD2 ASP A 67 -30.555 -14.743 -52.801 1.00 15.33 O ATOM 0 H ASP A 67 -28.811 -13.465 -51.659 1.00 74.45 H new ATOM 0 HA ASP A 67 -28.713 -11.050 -53.020 1.00 42.24 H new ATOM 0 HB2 ASP A 67 -30.039 -12.198 -54.717 1.00 54.54 H new ATOM 0 HB3 ASP A 67 -28.845 -13.298 -54.058 1.00 54.54 H new ATOM 716 N SER A 68 -31.381 -11.383 -51.243 1.00 50.22 N ATOM 717 CA SER A 68 -32.608 -10.731 -50.801 1.00 52.12 C ATOM 718 C SER A 68 -32.298 -9.568 -49.863 1.00 32.52 C ATOM 719 O SER A 68 -33.158 -9.121 -49.104 1.00 32.12 O ATOM 720 CB SER A 68 -33.521 -11.738 -50.099 1.00 55.15 C ATOM 721 OG SER A 68 -34.868 -11.297 -50.108 1.00 32.12 O ATOM 0 H SER A 68 -31.073 -12.151 -50.647 1.00 50.22 H new ATOM 0 HA SER A 68 -33.119 -10.339 -51.680 1.00 52.12 H new ATOM 0 HB2 SER A 68 -33.449 -12.706 -50.594 1.00 55.15 H new ATOM 0 HB3 SER A 68 -33.188 -11.880 -49.071 1.00 55.15 H new ATOM 0 HG SER A 68 -34.911 -10.370 -49.793 1.00 32.12 H new ATOM 727 N LYS A 69 -31.063 -9.083 -49.921 1.00 24.35 N ATOM 728 CA LYS A 69 -30.636 -7.972 -49.078 1.00 73.12 C ATOM 729 C LYS A 69 -31.627 -6.815 -49.162 1.00 5.12 C ATOM 730 O LYS A 69 -32.435 -6.743 -50.087 1.00 71.04 O ATOM 731 CB LYS A 69 -29.243 -7.496 -49.494 1.00 4.34 C ATOM 732 CG LYS A 69 -29.001 -7.555 -50.992 1.00 30.21 C ATOM 733 CD LYS A 69 -30.104 -6.850 -51.763 1.00 73.31 C ATOM 734 CE LYS A 69 -29.715 -6.629 -53.217 1.00 23.24 C ATOM 735 NZ LYS A 69 -30.339 -7.637 -54.118 1.00 33.03 N1+ ATOM 0 H LYS A 69 -30.339 -9.442 -50.543 1.00 24.35 H new ATOM 0 HA LYS A 69 -30.600 -8.323 -48.047 1.00 73.12 H new ATOM 0 HB2 LYS A 69 -29.102 -6.471 -49.152 1.00 4.34 H new ATOM 0 HB3 LYS A 69 -28.494 -8.106 -48.989 1.00 4.34 H new ATOM 0 HG2 LYS A 69 -28.041 -7.094 -51.225 1.00 30.21 H new ATOM 0 HG3 LYS A 69 -28.941 -8.596 -51.311 1.00 30.21 H new ATOM 0 HD2 LYS A 69 -31.018 -7.442 -51.716 1.00 73.31 H new ATOM 0 HD3 LYS A 69 -30.321 -5.891 -51.294 1.00 73.31 H new ATOM 0 HE2 LYS A 69 -30.018 -5.629 -53.526 1.00 23.24 H new ATOM 0 HE3 LYS A 69 -28.630 -6.677 -53.314 1.00 23.24 H new ATOM 0 HZ1 LYS A 69 -29.624 -8.002 -54.779 1.00 33.03 H new ATOM 0 HZ2 LYS A 69 -30.719 -8.422 -53.551 1.00 33.03 H new ATOM 0 HZ3 LYS A 69 -31.111 -7.192 -54.655 1.00 33.03 H new ATOM 749 N ASP A 70 -31.557 -5.911 -48.191 1.00 25.13 N ATOM 750 CA ASP A 70 -32.445 -4.755 -48.156 1.00 73.52 C ATOM 751 C ASP A 70 -31.733 -3.540 -47.572 1.00 13.44 C ATOM 752 O ASP A 70 -30.527 -3.570 -47.332 1.00 31.53 O ATOM 753 CB ASP A 70 -33.697 -5.072 -47.336 1.00 61.22 C ATOM 754 CG ASP A 70 -34.975 -4.727 -48.074 1.00 54.12 C ATOM 755 OD1 ASP A 70 -35.788 -3.955 -47.524 1.00 3.13 O ATOM 756 OD2 ASP A 70 -35.164 -5.229 -49.202 1.00 60.41 O ATOM 0 H ASP A 70 -30.894 -5.957 -47.417 1.00 25.13 H new ATOM 0 HA ASP A 70 -32.740 -4.523 -49.179 1.00 73.52 H new ATOM 0 HB2 ASP A 70 -33.703 -6.132 -47.082 1.00 61.22 H new ATOM 0 HB3 ASP A 70 -33.662 -4.519 -46.397 1.00 61.22 H new ATOM 761 N ASN A 71 -32.489 -2.470 -47.346 1.00 43.40 N ATOM 762 CA ASN A 71 -31.929 -1.242 -46.791 1.00 74.31 C ATOM 763 C ASN A 71 -31.801 -1.340 -45.274 1.00 70.30 C ATOM 764 O ASN A 71 -31.529 -0.347 -44.597 1.00 74.54 O ATOM 765 CB ASN A 71 -32.805 -0.044 -47.164 1.00 21.12 C ATOM 766 CG ASN A 71 -32.393 0.586 -48.480 1.00 63.01 C ATOM 767 OD1 ASN A 71 -32.722 0.080 -49.553 1.00 43.12 O ATOM 768 ND2 ASN A 71 -31.668 1.696 -48.403 1.00 51.22 N ATOM 0 H ASN A 71 -33.490 -2.428 -47.538 1.00 43.40 H new ATOM 0 HA ASN A 71 -30.934 -1.102 -47.213 1.00 74.31 H new ATOM 0 HB2 ASN A 71 -33.845 -0.364 -47.227 1.00 21.12 H new ATOM 0 HB3 ASN A 71 -32.749 0.704 -46.373 1.00 21.12 H new ATOM 0 HD21 ASN A 71 -31.361 2.165 -49.255 1.00 51.22 H new ATOM 0 HD22 ASN A 71 -31.419 2.080 -47.492 1.00 51.22 H new ATOM 775 N LEU A 72 -31.998 -2.543 -44.746 1.00 25.22 N ATOM 776 CA LEU A 72 -31.903 -2.772 -43.308 1.00 72.32 C ATOM 777 C LEU A 72 -30.485 -2.518 -42.808 1.00 42.21 C ATOM 778 O LEU A 72 -29.538 -2.469 -43.594 1.00 32.51 O ATOM 779 CB LEU A 72 -32.326 -4.203 -42.971 1.00 31.11 C ATOM 780 CG LEU A 72 -33.766 -4.382 -42.490 1.00 15.41 C ATOM 781 CD1 LEU A 72 -33.948 -3.768 -41.110 1.00 74.22 C ATOM 782 CD2 LEU A 72 -34.741 -3.764 -43.483 1.00 23.34 C ATOM 0 H LEU A 72 -32.224 -3.375 -45.291 1.00 25.22 H new ATOM 0 HA LEU A 72 -32.575 -2.073 -42.809 1.00 72.32 H new ATOM 0 HB2 LEU A 72 -32.181 -4.822 -43.857 1.00 31.11 H new ATOM 0 HB3 LEU A 72 -31.657 -4.586 -42.201 1.00 31.11 H new ATOM 0 HG LEU A 72 -33.976 -5.449 -42.421 1.00 15.41 H new ATOM 0 HD11 LEU A 72 -34.979 -3.905 -40.784 1.00 74.22 H new ATOM 0 HD12 LEU A 72 -33.276 -4.255 -40.403 1.00 74.22 H new ATOM 0 HD13 LEU A 72 -33.719 -2.703 -41.153 1.00 74.22 H new ATOM 0 HD21 LEU A 72 -35.761 -3.901 -43.124 1.00 23.34 H new ATOM 0 HD22 LEU A 72 -34.532 -2.699 -43.584 1.00 23.34 H new ATOM 0 HD23 LEU A 72 -34.629 -4.249 -44.453 1.00 23.34 H new ATOM 794 N ASP A 73 -30.345 -2.358 -41.497 1.00 32.02 N ATOM 795 CA ASP A 73 -29.042 -2.112 -40.891 1.00 23.00 C ATOM 796 C ASP A 73 -28.717 -3.177 -39.848 1.00 72.45 C ATOM 797 O ASP A 73 -29.594 -3.923 -39.414 1.00 72.14 O ATOM 798 CB ASP A 73 -29.008 -0.725 -40.248 1.00 50.40 C ATOM 799 CG ASP A 73 -30.367 -0.292 -39.733 1.00 43.13 C ATOM 800 OD1 ASP A 73 -30.886 0.735 -40.219 1.00 10.13 O ATOM 801 OD2 ASP A 73 -30.911 -0.981 -38.846 1.00 13.24 O ATOM 0 H ASP A 73 -31.118 -2.394 -40.833 1.00 32.02 H new ATOM 0 HA ASP A 73 -28.289 -2.158 -41.678 1.00 23.00 H new ATOM 0 HB2 ASP A 73 -28.294 -0.727 -39.424 1.00 50.40 H new ATOM 0 HB3 ASP A 73 -28.651 0.002 -40.977 1.00 50.40 H new ATOM 806 N GLY A 74 -27.450 -3.243 -39.451 1.00 61.34 N ATOM 807 CA GLY A 74 -27.032 -4.221 -38.464 1.00 62.31 C ATOM 808 C GLY A 74 -27.029 -3.659 -37.056 1.00 71.33 C ATOM 809 O GLY A 74 -27.208 -2.457 -36.859 1.00 2.04 O ATOM 0 H GLY A 74 -26.706 -2.637 -39.795 1.00 61.34 H new ATOM 0 HA2 GLY A 74 -27.698 -5.083 -38.506 1.00 62.31 H new ATOM 0 HA3 GLY A 74 -26.032 -4.578 -38.712 1.00 62.31 H new ATOM 813 N THR A 75 -26.828 -4.531 -36.073 1.00 25.10 N ATOM 814 CA THR A 75 -26.805 -4.116 -34.676 1.00 53.01 C ATOM 815 C THR A 75 -25.535 -4.592 -33.981 1.00 44.43 C ATOM 816 O THR A 75 -24.914 -5.569 -34.400 1.00 75.52 O ATOM 817 CB THR A 75 -28.028 -4.655 -33.910 1.00 72.33 C ATOM 818 OG1 THR A 75 -29.085 -4.961 -34.827 1.00 41.52 O ATOM 819 CG2 THR A 75 -28.516 -3.642 -32.886 1.00 44.52 C ATOM 0 H THR A 75 -26.679 -5.529 -36.219 1.00 25.10 H new ATOM 0 HA THR A 75 -26.832 -3.026 -34.670 1.00 53.01 H new ATOM 0 HB THR A 75 -27.729 -5.562 -33.385 1.00 72.33 H new ATOM 0 HG1 THR A 75 -29.858 -5.305 -34.332 1.00 41.52 H new ATOM 0 HG21 THR A 75 -29.380 -4.046 -32.358 1.00 44.52 H new ATOM 0 HG22 THR A 75 -27.719 -3.434 -32.172 1.00 44.52 H new ATOM 0 HG23 THR A 75 -28.799 -2.720 -33.393 1.00 44.52 H new ATOM 827 N CYS A 76 -25.152 -3.895 -32.917 1.00 4.42 N ATOM 828 CA CYS A 76 -23.954 -4.245 -32.163 1.00 33.54 C ATOM 829 C CYS A 76 -24.300 -4.569 -30.712 1.00 54.20 C ATOM 830 O CYS A 76 -25.126 -3.895 -30.095 1.00 25.14 O ATOM 831 CB CYS A 76 -22.940 -3.101 -32.214 1.00 15.24 C ATOM 832 SG CYS A 76 -21.227 -3.638 -32.519 1.00 61.31 S ATOM 0 H CYS A 76 -25.654 -3.084 -32.557 1.00 4.42 H new ATOM 0 HA CYS A 76 -23.514 -5.131 -32.620 1.00 33.54 H new ATOM 0 HB2 CYS A 76 -23.235 -2.403 -32.997 1.00 15.24 H new ATOM 0 HB3 CYS A 76 -22.976 -2.556 -31.271 1.00 15.24 H new ATOM 0 HG CYS A 76 -20.889 -3.338 -33.738 1.00 61.31 H new ATOM 837 N TYR A 77 -23.664 -5.604 -30.175 1.00 11.44 N ATOM 838 CA TYR A 77 -23.906 -6.018 -28.798 1.00 23.13 C ATOM 839 C TYR A 77 -22.591 -6.272 -28.067 1.00 1.35 C ATOM 840 O TYR A 77 -21.614 -6.728 -28.661 1.00 63.15 O ATOM 841 CB TYR A 77 -24.771 -7.279 -28.767 1.00 63.30 C ATOM 842 CG TYR A 77 -26.100 -7.085 -28.073 1.00 21.11 C ATOM 843 CD1 TYR A 77 -27.287 -7.473 -28.682 1.00 50.22 C ATOM 844 CD2 TYR A 77 -26.169 -6.513 -26.809 1.00 21.24 C ATOM 845 CE1 TYR A 77 -28.504 -7.297 -28.052 1.00 41.23 C ATOM 846 CE2 TYR A 77 -27.381 -6.335 -26.171 1.00 11.34 C ATOM 847 CZ TYR A 77 -28.546 -6.728 -26.797 1.00 3.25 C ATOM 848 OH TYR A 77 -29.755 -6.550 -26.165 1.00 33.41 O ATOM 0 H TYR A 77 -22.977 -6.171 -30.672 1.00 11.44 H new ATOM 0 HA TYR A 77 -24.434 -5.211 -28.290 1.00 23.13 H new ATOM 0 HB2 TYR A 77 -24.950 -7.612 -29.789 1.00 63.30 H new ATOM 0 HB3 TYR A 77 -24.221 -8.074 -28.264 1.00 63.30 H new ATOM 0 HD1 TYR A 77 -27.258 -7.920 -29.665 1.00 50.22 H new ATOM 0 HD2 TYR A 77 -25.259 -6.202 -26.317 1.00 21.24 H new ATOM 0 HE1 TYR A 77 -29.417 -7.604 -28.540 1.00 41.23 H new ATOM 0 HE2 TYR A 77 -27.417 -5.891 -25.187 1.00 11.34 H new ATOM 0 HH TYR A 77 -29.608 -6.138 -25.288 1.00 33.41 H new