USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=7 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= -1.23 K(o=-1.2,f=-0.71) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 46 ASN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.21) 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+ -173:sc= -0.28 (180deg=-0.327) USER MOD Single : A 71 ASN : amide:sc= 0.305 K(o=0.3,f=-2.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 134:sc= -16.6! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 232 N CYS A 35 -20.424 -2.737 -21.420 1.00 10.13 N ATOM 233 CA CYS A 35 -20.407 -1.975 -22.663 1.00 33.43 C ATOM 234 C CYS A 35 -21.767 -1.335 -22.927 1.00 31.12 C ATOM 235 O CYS A 35 -22.737 -1.599 -22.217 1.00 73.54 O ATOM 236 CB CYS A 35 -20.021 -2.880 -23.834 1.00 72.25 C ATOM 237 SG CYS A 35 -19.028 -2.052 -25.118 1.00 15.21 S ATOM 0 HA CYS A 35 -19.665 -1.182 -22.565 1.00 33.43 H new ATOM 0 HB2 CYS A 35 -19.461 -3.733 -23.451 1.00 72.25 H new ATOM 0 HB3 CYS A 35 -20.929 -3.274 -24.290 1.00 72.25 H new ATOM 242 N ALA A 36 -21.829 -0.492 -23.952 1.00 61.24 N ATOM 243 CA ALA A 36 -23.069 0.184 -24.312 1.00 31.11 C ATOM 244 C ALA A 36 -23.840 -0.606 -25.364 1.00 33.54 C ATOM 245 O ALA A 36 -23.291 -1.496 -26.011 1.00 63.32 O ATOM 246 CB ALA A 36 -22.777 1.590 -24.815 1.00 32.04 C ATOM 0 H ALA A 36 -21.034 -0.261 -24.548 1.00 61.24 H new ATOM 0 HA ALA A 36 -23.690 0.251 -23.418 1.00 31.11 H new ATOM 0 HB1 ALA A 36 -23.712 2.083 -25.080 1.00 32.04 H new ATOM 0 HB2 ALA A 36 -22.276 2.160 -24.032 1.00 32.04 H new ATOM 0 HB3 ALA A 36 -22.134 1.536 -25.693 1.00 32.04 H new ATOM 252 N ASN A 37 -25.117 -0.276 -25.527 1.00 51.54 N ATOM 253 CA ASN A 37 -25.964 -0.956 -26.500 1.00 72.01 C ATOM 254 C ASN A 37 -25.912 -0.253 -27.853 1.00 63.12 C ATOM 255 O ASN A 37 -26.753 -0.489 -28.721 1.00 22.03 O ATOM 256 CB ASN A 37 -27.408 -1.013 -25.998 1.00 55.02 C ATOM 257 CG ASN A 37 -28.298 -1.855 -26.892 1.00 34.10 C ATOM 258 OD1 ASN A 37 -29.412 -1.456 -27.231 1.00 53.53 O ATOM 259 ND2 ASN A 37 -27.809 -3.028 -27.277 1.00 53.04 N ATOM 0 H ASN A 37 -25.588 0.458 -24.998 1.00 51.54 H new ATOM 0 HA ASN A 37 -25.588 -1.972 -26.624 1.00 72.01 H new ATOM 0 HB2 ASN A 37 -27.423 -1.421 -24.987 1.00 55.02 H new ATOM 0 HB3 ASN A 37 -27.810 -0.001 -25.939 1.00 55.02 H new ATOM 0 HD21 ASN A 37 -28.362 -3.639 -27.878 1.00 53.04 H new ATOM 0 HD22 ASN A 37 -26.880 -3.318 -26.972 1.00 53.04 H new ATOM 266 N VAL A 38 -24.917 0.612 -28.027 1.00 30.45 N ATOM 267 CA VAL A 38 -24.753 1.348 -29.274 1.00 41.01 C ATOM 268 C VAL A 38 -24.884 0.424 -30.479 1.00 62.53 C ATOM 269 O VAL A 38 -24.464 -0.734 -30.437 1.00 51.44 O ATOM 270 CB VAL A 38 -23.387 2.058 -29.331 1.00 72.14 C ATOM 271 CG1 VAL A 38 -23.181 2.921 -28.096 1.00 34.43 C ATOM 272 CG2 VAL A 38 -22.265 1.041 -29.475 1.00 45.51 C ATOM 0 H VAL A 38 -24.213 0.820 -27.319 1.00 30.45 H new ATOM 0 HA VAL A 38 -25.545 2.096 -29.306 1.00 41.01 H new ATOM 0 HB VAL A 38 -23.371 2.709 -30.205 1.00 72.14 H new ATOM 0 HG11 VAL A 38 -22.211 3.414 -28.155 1.00 34.43 H new ATOM 0 HG12 VAL A 38 -23.968 3.673 -28.042 1.00 34.43 H new ATOM 0 HG13 VAL A 38 -23.216 2.295 -27.205 1.00 34.43 H new ATOM 0 HG21 VAL A 38 -21.307 1.559 -29.514 1.00 45.51 H new ATOM 0 HG22 VAL A 38 -22.277 0.363 -28.621 1.00 45.51 H new ATOM 0 HG23 VAL A 38 -22.406 0.471 -30.393 1.00 45.51 H new ATOM 282 N THR A 39 -25.469 0.941 -31.555 1.00 1.41 N ATOM 283 CA THR A 39 -25.656 0.163 -32.773 1.00 31.24 C ATOM 284 C THR A 39 -24.928 0.800 -33.950 1.00 43.42 C ATOM 285 O THR A 39 -24.696 2.010 -33.969 1.00 63.51 O ATOM 286 CB THR A 39 -27.149 0.019 -33.124 1.00 10.42 C ATOM 287 OG1 THR A 39 -27.793 1.297 -33.058 1.00 23.24 O ATOM 288 CG2 THR A 39 -27.837 -0.951 -32.175 1.00 52.34 C ATOM 0 H THR A 39 -25.822 1.897 -31.607 1.00 1.41 H new ATOM 0 HA THR A 39 -25.238 -0.826 -32.583 1.00 31.24 H new ATOM 0 HB THR A 39 -27.225 -0.374 -34.138 1.00 10.42 H new ATOM 0 HG1 THR A 39 -28.741 1.197 -33.284 1.00 23.24 H new ATOM 0 HG21 THR A 39 -28.890 -1.036 -32.442 1.00 52.34 H new ATOM 0 HG22 THR A 39 -27.363 -1.930 -32.249 1.00 52.34 H new ATOM 0 HG23 THR A 39 -27.751 -0.583 -31.153 1.00 52.34 H new ATOM 296 N CYS A 40 -24.569 -0.020 -34.932 1.00 54.25 N ATOM 297 CA CYS A 40 -23.867 0.464 -36.115 1.00 72.41 C ATOM 298 C CYS A 40 -24.710 0.258 -37.370 1.00 54.33 C ATOM 299 O CYS A 40 -25.633 -0.557 -37.384 1.00 63.13 O ATOM 300 CB CYS A 40 -22.525 -0.255 -36.266 1.00 41.21 C ATOM 301 SG CYS A 40 -22.066 -1.281 -34.833 1.00 25.22 S ATOM 0 H CYS A 40 -24.753 -1.023 -34.932 1.00 54.25 H new ATOM 0 HA CYS A 40 -23.688 1.532 -35.990 1.00 72.41 H new ATOM 0 HB2 CYS A 40 -22.561 -0.886 -37.154 1.00 41.21 H new ATOM 0 HB3 CYS A 40 -21.744 0.487 -36.433 1.00 41.21 H new ATOM 306 N ARG A 41 -24.387 1.003 -38.422 1.00 40.51 N ATOM 307 CA ARG A 41 -25.115 0.904 -39.682 1.00 4.25 C ATOM 308 C ARG A 41 -24.169 0.565 -40.830 1.00 74.42 C ATOM 309 O ARG A 41 -23.150 1.226 -41.024 1.00 45.32 O ATOM 310 CB ARG A 41 -25.844 2.216 -39.978 1.00 74.41 C ATOM 311 CG ARG A 41 -26.983 2.067 -40.975 1.00 4.35 C ATOM 312 CD ARG A 41 -26.565 2.511 -42.368 1.00 2.54 C ATOM 313 NE ARG A 41 -26.706 3.954 -42.548 1.00 31.15 N ATOM 314 CZ ARG A 41 -26.118 4.634 -43.526 1.00 22.44 C ATOM 315 NH1 ARG A 41 -25.353 4.005 -44.407 1.00 70.24 N1+ ATOM 316 NH2 ARG A 41 -26.295 5.945 -43.623 1.00 44.03 N ATOM 0 H ARG A 41 -23.626 1.682 -38.427 1.00 40.51 H new ATOM 0 HA ARG A 41 -25.848 0.102 -39.588 1.00 4.25 H new ATOM 0 HB2 ARG A 41 -26.238 2.621 -39.046 1.00 74.41 H new ATOM 0 HB3 ARG A 41 -25.127 2.941 -40.363 1.00 74.41 H new ATOM 0 HG2 ARG A 41 -27.308 1.027 -41.005 1.00 4.35 H new ATOM 0 HG3 ARG A 41 -27.837 2.658 -40.644 1.00 4.35 H new ATOM 0 HD2 ARG A 41 -25.529 2.223 -42.544 1.00 2.54 H new ATOM 0 HD3 ARG A 41 -27.171 1.992 -43.111 1.00 2.54 H new ATOM 0 HE ARG A 41 -27.288 4.468 -41.886 1.00 31.15 H new ATOM 0 HH11 ARG A 41 -25.215 2.997 -44.335 1.00 70.24 H new ATOM 0 HH12 ARG A 41 -24.902 4.529 -45.157 1.00 70.24 H new ATOM 0 HH21 ARG A 41 -26.883 6.432 -42.946 1.00 44.03 H new ATOM 0 HH22 ARG A 41 -25.843 6.466 -44.374 1.00 44.03 H new ATOM 330 N ARG A 42 -24.516 -0.471 -41.588 1.00 45.21 N ATOM 331 CA ARG A 42 -23.697 -0.899 -42.716 1.00 73.31 C ATOM 332 C ARG A 42 -24.550 -1.082 -43.968 1.00 74.20 C ATOM 333 O ARG A 42 -25.520 -1.842 -43.967 1.00 64.03 O ATOM 334 CB ARG A 42 -22.975 -2.206 -42.383 1.00 34.14 C ATOM 335 CG ARG A 42 -21.648 -2.004 -41.670 1.00 12.01 C ATOM 336 CD ARG A 42 -21.851 -1.570 -40.227 1.00 33.55 C ATOM 337 NE ARG A 42 -22.989 -2.245 -39.608 1.00 15.44 N ATOM 338 CZ ARG A 42 -22.887 -3.033 -38.544 1.00 23.15 C ATOM 339 NH1 ARG A 42 -21.704 -3.245 -37.983 1.00 11.11 N1+ ATOM 340 NH2 ARG A 42 -23.969 -3.611 -38.038 1.00 23.23 N ATOM 0 H ARG A 42 -25.358 -1.028 -41.441 1.00 45.21 H new ATOM 0 HA ARG A 42 -22.957 -0.123 -42.911 1.00 73.31 H new ATOM 0 HB2 ARG A 42 -23.623 -2.821 -41.759 1.00 34.14 H new ATOM 0 HB3 ARG A 42 -22.802 -2.761 -43.305 1.00 34.14 H new ATOM 0 HG2 ARG A 42 -21.076 -2.931 -41.695 1.00 12.01 H new ATOM 0 HG3 ARG A 42 -21.061 -1.253 -42.198 1.00 12.01 H new ATOM 0 HD2 ARG A 42 -20.948 -1.782 -39.654 1.00 33.55 H new ATOM 0 HD3 ARG A 42 -22.006 -0.492 -40.191 1.00 33.55 H new ATOM 0 HE ARG A 42 -23.913 -2.103 -40.016 1.00 15.44 H new ATOM 0 HH11 ARG A 42 -20.870 -2.802 -38.369 1.00 11.11 H new ATOM 0 HH12 ARG A 42 -21.628 -3.851 -37.166 1.00 11.11 H new ATOM 0 HH21 ARG A 42 -24.881 -3.450 -38.466 1.00 23.23 H new ATOM 0 HH22 ARG A 42 -23.889 -4.216 -37.221 1.00 23.23 H new ATOM 354 N THR A 43 -24.184 -0.380 -45.036 1.00 3.13 N ATOM 355 CA THR A 43 -24.915 -0.463 -46.293 1.00 53.04 C ATOM 356 C THR A 43 -23.962 -0.552 -47.479 1.00 43.03 C ATOM 357 O THR A 43 -22.902 0.074 -47.485 1.00 3.11 O ATOM 358 CB THR A 43 -25.843 0.752 -46.485 1.00 62.20 C ATOM 359 OG1 THR A 43 -26.251 1.263 -45.211 1.00 23.50 O ATOM 360 CG2 THR A 43 -27.069 0.373 -47.301 1.00 72.34 C ATOM 0 H THR A 43 -23.384 0.253 -45.055 1.00 3.13 H new ATOM 0 HA THR A 43 -25.519 -1.369 -46.247 1.00 53.04 H new ATOM 0 HB THR A 43 -25.291 1.521 -47.025 1.00 62.20 H new ATOM 0 HG1 THR A 43 -26.839 2.036 -45.342 1.00 23.50 H new ATOM 0 HG21 THR A 43 -27.709 1.247 -47.423 1.00 72.34 H new ATOM 0 HG22 THR A 43 -26.757 0.012 -48.281 1.00 72.34 H new ATOM 0 HG23 THR A 43 -27.621 -0.412 -46.785 1.00 72.34 H new ATOM 368 N VAL A 44 -24.345 -1.334 -48.484 1.00 13.41 N ATOM 369 CA VAL A 44 -23.525 -1.503 -49.677 1.00 43.11 C ATOM 370 C VAL A 44 -24.368 -1.952 -50.865 1.00 12.10 C ATOM 371 O VAL A 44 -25.014 -2.999 -50.820 1.00 53.13 O ATOM 372 CB VAL A 44 -22.400 -2.529 -49.444 1.00 4.45 C ATOM 373 CG1 VAL A 44 -22.968 -3.832 -48.903 1.00 14.41 C ATOM 374 CG2 VAL A 44 -21.623 -2.769 -50.729 1.00 72.14 C ATOM 0 H VAL A 44 -25.219 -1.860 -48.495 1.00 13.41 H new ATOM 0 HA VAL A 44 -23.082 -0.532 -49.896 1.00 43.11 H new ATOM 0 HB VAL A 44 -21.712 -2.125 -48.701 1.00 4.45 H new ATOM 0 HG11 VAL A 44 -22.158 -4.544 -48.745 1.00 14.41 H new ATOM 0 HG12 VAL A 44 -23.475 -3.643 -47.957 1.00 14.41 H new ATOM 0 HG13 VAL A 44 -23.679 -4.244 -49.619 1.00 14.41 H new ATOM 0 HG21 VAL A 44 -20.832 -3.496 -50.546 1.00 72.14 H new ATOM 0 HG22 VAL A 44 -22.297 -3.151 -51.496 1.00 72.14 H new ATOM 0 HG23 VAL A 44 -21.182 -1.832 -51.068 1.00 72.14 H new ATOM 384 N ASP A 45 -24.357 -1.153 -51.927 1.00 32.54 N ATOM 385 CA ASP A 45 -25.120 -1.469 -53.129 1.00 32.14 C ATOM 386 C ASP A 45 -24.235 -1.395 -54.369 1.00 54.41 C ATOM 387 O ASP A 45 -23.236 -0.677 -54.389 1.00 14.04 O ATOM 388 CB ASP A 45 -26.304 -0.512 -53.273 1.00 40.51 C ATOM 389 CG ASP A 45 -27.480 -1.149 -53.987 1.00 12.45 C ATOM 390 OD1 ASP A 45 -27.305 -1.591 -55.141 1.00 24.22 O ATOM 391 OD2 ASP A 45 -28.577 -1.204 -53.391 1.00 3.11 O ATOM 0 H ASP A 45 -23.828 -0.282 -51.980 1.00 32.54 H new ATOM 0 HA ASP A 45 -25.496 -2.488 -53.034 1.00 32.14 H new ATOM 0 HB2 ASP A 45 -26.620 -0.179 -52.285 1.00 40.51 H new ATOM 0 HB3 ASP A 45 -25.986 0.374 -53.822 1.00 40.51 H new ATOM 396 N ASN A 46 -24.610 -2.142 -55.402 1.00 65.14 N ATOM 397 CA ASN A 46 -23.849 -2.162 -56.647 1.00 22.05 C ATOM 398 C ASN A 46 -22.364 -2.380 -56.373 1.00 21.22 C ATOM 399 O ASN A 46 -21.511 -1.975 -57.162 1.00 44.22 O ATOM 400 CB ASN A 46 -24.051 -0.853 -57.413 1.00 63.30 C ATOM 401 CG ASN A 46 -23.976 -1.046 -58.915 1.00 51.24 C ATOM 402 OD1 ASN A 46 -23.769 -2.158 -59.400 1.00 73.34 O ATOM 403 ND2 ASN A 46 -24.144 0.041 -59.660 1.00 35.20 N ATOM 0 H ASN A 46 -25.435 -2.741 -55.402 1.00 65.14 H new ATOM 0 HA ASN A 46 -24.214 -2.991 -57.254 1.00 22.05 H new ATOM 0 HB2 ASN A 46 -25.020 -0.428 -57.152 1.00 63.30 H new ATOM 0 HB3 ASN A 46 -23.293 -0.133 -57.103 1.00 63.30 H new ATOM 0 HD21 ASN A 46 -24.104 -0.026 -60.677 1.00 35.20 H new ATOM 0 HD22 ASN A 46 -24.313 0.943 -59.215 1.00 35.20 H new ATOM 410 N ARG A 47 -22.063 -3.024 -55.250 1.00 12.25 N ATOM 411 CA ARG A 47 -20.682 -3.296 -54.871 1.00 43.51 C ATOM 412 C ARG A 47 -20.408 -4.797 -54.853 1.00 52.40 C ATOM 413 O ARG A 47 -19.304 -5.241 -55.165 1.00 52.44 O ATOM 414 CB ARG A 47 -20.379 -2.695 -53.497 1.00 52.42 C ATOM 415 CG ARG A 47 -19.075 -1.915 -53.447 1.00 73.20 C ATOM 416 CD ARG A 47 -18.126 -2.485 -52.405 1.00 4.32 C ATOM 417 NE ARG A 47 -18.343 -1.895 -51.086 1.00 45.04 N ATOM 418 CZ ARG A 47 -17.551 -2.117 -50.043 1.00 33.12 C ATOM 419 NH1 ARG A 47 -16.496 -2.911 -50.164 1.00 13.04 N1+ ATOM 420 NH2 ARG A 47 -17.814 -1.544 -48.875 1.00 54.13 N ATOM 0 H ARG A 47 -22.758 -3.367 -54.587 1.00 12.25 H new ATOM 0 HA ARG A 47 -20.031 -2.834 -55.613 1.00 43.51 H new ATOM 0 HB2 ARG A 47 -21.198 -2.036 -53.210 1.00 52.42 H new ATOM 0 HB3 ARG A 47 -20.341 -3.497 -52.759 1.00 52.42 H new ATOM 0 HG2 ARG A 47 -18.598 -1.938 -54.427 1.00 73.20 H new ATOM 0 HG3 ARG A 47 -19.283 -0.870 -53.218 1.00 73.20 H new ATOM 0 HD2 ARG A 47 -18.259 -3.565 -52.345 1.00 4.32 H new ATOM 0 HD3 ARG A 47 -17.097 -2.308 -52.717 1.00 4.32 H new ATOM 0 HE ARG A 47 -19.146 -1.279 -50.959 1.00 45.04 H new ATOM 0 HH11 ARG A 47 -16.291 -3.353 -51.060 1.00 13.04 H new ATOM 0 HH12 ARG A 47 -15.890 -3.079 -49.361 1.00 13.04 H new ATOM 0 HH21 ARG A 47 -18.625 -0.933 -48.778 1.00 54.13 H new ATOM 0 HH22 ARG A 47 -17.205 -1.715 -48.075 1.00 54.13 H new ATOM 434 N GLY A 48 -21.422 -5.574 -54.484 1.00 54.51 N ATOM 435 CA GLY A 48 -21.271 -7.016 -54.431 1.00 41.24 C ATOM 436 C GLY A 48 -20.466 -7.471 -53.230 1.00 43.33 C ATOM 437 O GLY A 48 -20.332 -8.669 -52.980 1.00 44.24 O ATOM 0 H GLY A 48 -22.345 -5.230 -54.221 1.00 54.51 H new ATOM 0 HA2 GLY A 48 -22.257 -7.481 -54.401 1.00 41.24 H new ATOM 0 HA3 GLY A 48 -20.784 -7.361 -55.343 1.00 41.24 H new ATOM 441 N LYS A 49 -19.926 -6.512 -52.485 1.00 30.54 N ATOM 442 CA LYS A 49 -19.129 -6.819 -51.303 1.00 21.41 C ATOM 443 C LYS A 49 -19.799 -6.286 -50.041 1.00 33.42 C ATOM 444 O LYS A 49 -20.250 -5.141 -50.002 1.00 63.23 O ATOM 445 CB LYS A 49 -17.726 -6.222 -51.439 1.00 74.34 C ATOM 446 CG LYS A 49 -16.618 -7.260 -51.409 1.00 22.22 C ATOM 447 CD LYS A 49 -15.278 -6.634 -51.061 1.00 24.53 C ATOM 448 CE LYS A 49 -14.120 -7.453 -51.612 1.00 33.45 C ATOM 449 NZ LYS A 49 -13.863 -7.154 -53.047 1.00 61.14 N1+ ATOM 0 H LYS A 49 -20.026 -5.516 -52.679 1.00 30.54 H new ATOM 0 HA LYS A 49 -19.050 -7.903 -51.221 1.00 21.41 H new ATOM 0 HB2 LYS A 49 -17.666 -5.666 -52.374 1.00 74.34 H new ATOM 0 HB3 LYS A 49 -17.565 -5.507 -50.632 1.00 74.34 H new ATOM 0 HG2 LYS A 49 -16.861 -8.032 -50.679 1.00 22.22 H new ATOM 0 HG3 LYS A 49 -16.551 -7.750 -52.380 1.00 22.22 H new ATOM 0 HD2 LYS A 49 -15.233 -5.622 -51.463 1.00 24.53 H new ATOM 0 HD3 LYS A 49 -15.184 -6.552 -49.978 1.00 24.53 H new ATOM 0 HE2 LYS A 49 -13.221 -7.247 -51.031 1.00 33.45 H new ATOM 0 HE3 LYS A 49 -14.338 -8.515 -51.496 1.00 33.45 H new ATOM 0 HZ1 LYS A 49 -13.067 -7.732 -53.385 1.00 61.14 H new ATOM 0 HZ2 LYS A 49 -14.712 -7.375 -53.605 1.00 61.14 H new ATOM 0 HZ3 LYS A 49 -13.630 -6.146 -53.155 1.00 61.14 H new ATOM 463 N ARG A 50 -19.860 -7.123 -49.010 1.00 75.22 N ATOM 464 CA ARG A 50 -20.476 -6.735 -47.747 1.00 24.34 C ATOM 465 C ARG A 50 -19.645 -5.665 -47.044 1.00 35.23 C ATOM 466 O ARG A 50 -18.444 -5.540 -47.283 1.00 40.20 O ATOM 467 CB ARG A 50 -20.632 -7.954 -46.836 1.00 32.43 C ATOM 468 CG ARG A 50 -22.015 -8.583 -46.892 1.00 61.21 C ATOM 469 CD ARG A 50 -22.033 -9.808 -47.793 1.00 75.11 C ATOM 470 NE ARG A 50 -22.057 -9.447 -49.208 1.00 14.41 N ATOM 471 CZ ARG A 50 -22.426 -10.281 -50.173 1.00 65.25 C ATOM 472 NH1 ARG A 50 -22.799 -11.519 -49.878 1.00 50.41 N1+ ATOM 473 NH2 ARG A 50 -22.421 -9.878 -51.438 1.00 20.42 N ATOM 0 H ARG A 50 -19.490 -8.074 -49.025 1.00 75.22 H new ATOM 0 HA ARG A 50 -21.462 -6.323 -47.963 1.00 24.34 H new ATOM 0 HB2 ARG A 50 -19.890 -8.702 -47.114 1.00 32.43 H new ATOM 0 HB3 ARG A 50 -20.417 -7.659 -45.809 1.00 32.43 H new ATOM 0 HG2 ARG A 50 -22.329 -8.864 -45.887 1.00 61.21 H new ATOM 0 HG3 ARG A 50 -22.735 -7.850 -47.257 1.00 61.21 H new ATOM 0 HD2 ARG A 50 -21.154 -10.420 -47.590 1.00 75.11 H new ATOM 0 HD3 ARG A 50 -22.906 -10.417 -47.559 1.00 75.11 H new ATOM 0 HE ARG A 50 -21.775 -8.502 -49.469 1.00 14.41 H new ATOM 0 HH11 ARG A 50 -22.803 -11.833 -48.907 1.00 50.41 H new ATOM 0 HH12 ARG A 50 -23.082 -12.157 -50.622 1.00 50.41 H new ATOM 0 HH21 ARG A 50 -22.134 -8.927 -51.669 1.00 20.42 H new ATOM 0 HH22 ARG A 50 -22.705 -10.519 -52.179 1.00 20.42 H new ATOM 487 N HIS A 51 -20.294 -4.895 -46.176 1.00 34.32 N ATOM 488 CA HIS A 51 -19.616 -3.836 -45.438 1.00 12.51 C ATOM 489 C HIS A 51 -19.771 -4.036 -43.933 1.00 71.24 C ATOM 490 O HIS A 51 -20.886 -4.166 -43.427 1.00 21.24 O ATOM 491 CB HIS A 51 -20.170 -2.469 -45.842 1.00 13.14 C ATOM 492 CG HIS A 51 -19.367 -1.318 -45.318 1.00 33.44 C ATOM 493 ND1 HIS A 51 -18.022 -1.409 -45.030 1.00 3.11 N ATOM 494 CD2 HIS A 51 -19.727 -0.045 -45.031 1.00 60.41 C ATOM 495 CE1 HIS A 51 -17.589 -0.242 -44.587 1.00 41.24 C ATOM 496 NE2 HIS A 51 -18.604 0.603 -44.579 1.00 12.11 N ATOM 0 H HIS A 51 -21.288 -4.985 -45.967 1.00 34.32 H new ATOM 0 HA HIS A 51 -18.555 -3.878 -45.685 1.00 12.51 H new ATOM 0 HB2 HIS A 51 -20.209 -2.409 -46.930 1.00 13.14 H new ATOM 0 HB3 HIS A 51 -21.195 -2.380 -45.481 1.00 13.14 H new ATOM 0 HD2 HIS A 51 -20.714 0.381 -45.138 1.00 60.41 H new ATOM 0 HE1 HIS A 51 -16.577 -0.017 -44.283 1.00 41.24 H new ATOM 0 HE2 HIS A 51 -18.561 1.579 -44.285 1.00 12.11 H new ATOM 504 N ILE A 52 -18.647 -4.061 -43.226 1.00 22.22 N ATOM 505 CA ILE A 52 -18.659 -4.246 -41.780 1.00 44.30 C ATOM 506 C ILE A 52 -17.986 -3.075 -41.071 1.00 32.11 C ATOM 507 O ILE A 52 -16.990 -2.535 -41.551 1.00 4.30 O ATOM 508 CB ILE A 52 -17.952 -5.552 -41.373 1.00 65.25 C ATOM 509 CG1 ILE A 52 -18.452 -6.717 -42.231 1.00 11.44 C ATOM 510 CG2 ILE A 52 -18.177 -5.839 -39.897 1.00 33.14 C ATOM 511 CD1 ILE A 52 -19.918 -7.030 -42.027 1.00 22.51 C ATOM 0 H ILE A 52 -17.717 -3.956 -43.630 1.00 22.22 H new ATOM 0 HA ILE A 52 -19.705 -4.299 -41.478 1.00 44.30 H new ATOM 0 HB ILE A 52 -16.881 -5.435 -41.540 1.00 65.25 H new ATOM 0 HG12 ILE A 52 -18.281 -6.484 -43.282 1.00 11.44 H new ATOM 0 HG13 ILE A 52 -17.863 -7.605 -42.002 1.00 11.44 H new ATOM 0 HG21 ILE A 52 -17.671 -6.765 -39.625 1.00 33.14 H new ATOM 0 HG22 ILE A 52 -17.776 -5.019 -39.302 1.00 33.14 H new ATOM 0 HG23 ILE A 52 -19.245 -5.939 -39.705 1.00 33.14 H new ATOM 0 HD11 ILE A 52 -20.204 -7.865 -42.666 1.00 22.51 H new ATOM 0 HD12 ILE A 52 -20.092 -7.295 -40.984 1.00 22.51 H new ATOM 0 HD13 ILE A 52 -20.516 -6.156 -42.284 1.00 22.51 H new ATOM 523 N ASP A 53 -18.537 -2.689 -39.925 1.00 60.52 N ATOM 524 CA ASP A 53 -17.989 -1.584 -39.147 1.00 71.42 C ATOM 525 C ASP A 53 -17.273 -2.099 -37.902 1.00 54.20 C ATOM 526 O ASP A 53 -17.415 -3.262 -37.529 1.00 25.44 O ATOM 527 CB ASP A 53 -19.101 -0.614 -38.747 1.00 12.31 C ATOM 528 CG ASP A 53 -18.564 0.646 -38.096 1.00 61.31 C ATOM 529 OD1 ASP A 53 -18.001 1.494 -38.819 1.00 65.15 O ATOM 530 OD2 ASP A 53 -18.708 0.784 -36.863 1.00 64.35 O ATOM 0 H ASP A 53 -19.363 -3.125 -39.514 1.00 60.52 H new ATOM 0 HA ASP A 53 -17.265 -1.058 -39.769 1.00 71.42 H new ATOM 0 HB2 ASP A 53 -19.679 -0.345 -39.631 1.00 12.31 H new ATOM 0 HB3 ASP A 53 -19.784 -1.112 -38.059 1.00 12.31 H new ATOM 535 N GLY A 54 -16.503 -1.223 -37.264 1.00 12.33 N ATOM 536 CA GLY A 54 -15.776 -1.607 -36.068 1.00 62.23 C ATOM 537 C GLY A 54 -16.460 -1.142 -34.798 1.00 41.53 C ATOM 538 O GLY A 54 -16.941 -0.011 -34.722 1.00 53.33 O ATOM 0 H GLY A 54 -16.370 -0.254 -37.554 1.00 12.33 H new ATOM 0 HA2 GLY A 54 -15.670 -2.692 -36.044 1.00 62.23 H new ATOM 0 HA3 GLY A 54 -14.770 -1.190 -36.109 1.00 62.23 H new ATOM 542 N CYS A 55 -16.505 -2.015 -33.798 1.00 73.21 N ATOM 543 CA CYS A 55 -17.137 -1.689 -32.526 1.00 34.25 C ATOM 544 C CYS A 55 -16.093 -1.527 -31.425 1.00 62.20 C ATOM 545 O CYS A 55 -14.987 -2.063 -31.501 1.00 20.35 O ATOM 546 CB CYS A 55 -18.140 -2.778 -32.136 1.00 44.33 C ATOM 547 SG CYS A 55 -19.882 -2.258 -32.247 1.00 11.15 S ATOM 0 H CYS A 55 -16.111 -2.955 -33.844 1.00 73.21 H new ATOM 0 HA CYS A 55 -17.665 -0.743 -32.644 1.00 34.25 H new ATOM 0 HB2 CYS A 55 -17.989 -3.644 -32.780 1.00 44.33 H new ATOM 0 HB3 CYS A 55 -17.932 -3.100 -31.116 1.00 44.33 H new ATOM 552 N PRO A 56 -16.450 -0.770 -30.377 1.00 31.41 N ATOM 553 CA PRO A 56 -15.559 -0.521 -29.240 1.00 43.43 C ATOM 554 C PRO A 56 -15.340 -1.768 -28.390 1.00 41.52 C ATOM 555 O PRO A 56 -15.977 -2.802 -28.588 1.00 21.52 O ATOM 556 CB PRO A 56 -16.300 0.551 -28.437 1.00 20.11 C ATOM 557 CG PRO A 56 -17.735 0.364 -28.790 1.00 51.45 C ATOM 558 CD PRO A 56 -17.752 -0.101 -30.220 1.00 52.44 C ATOM 0 HA PRO A 56 -14.562 -0.219 -29.562 1.00 43.43 H new ATOM 0 HB2 PRO A 56 -16.136 0.428 -27.366 1.00 20.11 H new ATOM 0 HB3 PRO A 56 -15.955 1.551 -28.699 1.00 20.11 H new ATOM 0 HG2 PRO A 56 -18.206 -0.370 -28.135 1.00 51.45 H new ATOM 0 HG3 PRO A 56 -18.290 1.295 -28.676 1.00 51.45 H new ATOM 0 HD2 PRO A 56 -18.580 -0.784 -30.411 1.00 52.44 H new ATOM 0 HD3 PRO A 56 -17.861 0.734 -30.913 1.00 52.44 H new ATOM 566 N PRO A 57 -14.418 -1.669 -27.421 1.00 34.54 N ATOM 567 CA PRO A 57 -14.095 -2.780 -26.520 1.00 74.32 C ATOM 568 C PRO A 57 -15.229 -3.086 -25.547 1.00 62.11 C ATOM 569 O PRO A 57 -15.901 -2.180 -25.057 1.00 5.43 O ATOM 570 CB PRO A 57 -12.863 -2.277 -25.764 1.00 62.45 C ATOM 571 CG PRO A 57 -12.968 -0.792 -25.813 1.00 74.22 C ATOM 572 CD PRO A 57 -13.621 -0.466 -27.128 1.00 72.41 C ATOM 0 HA PRO A 57 -13.928 -3.710 -27.063 1.00 74.32 H new ATOM 0 HB2 PRO A 57 -12.854 -2.639 -24.736 1.00 62.45 H new ATOM 0 HB3 PRO A 57 -11.942 -2.624 -26.232 1.00 62.45 H new ATOM 0 HG2 PRO A 57 -13.560 -0.415 -24.979 1.00 74.22 H new ATOM 0 HG3 PRO A 57 -11.984 -0.329 -25.740 1.00 74.22 H new ATOM 0 HD2 PRO A 57 -14.247 0.423 -27.056 1.00 72.41 H new ATOM 0 HD3 PRO A 57 -12.883 -0.274 -27.906 1.00 72.41 H new ATOM 580 N GLY A 58 -15.436 -4.370 -25.271 1.00 62.33 N ATOM 581 CA GLY A 58 -16.489 -4.772 -24.357 1.00 61.32 C ATOM 582 C GLY A 58 -17.768 -5.150 -25.077 1.00 32.40 C ATOM 583 O GLY A 58 -18.663 -5.760 -24.490 1.00 11.51 O ATOM 0 H GLY A 58 -14.893 -5.139 -25.664 1.00 62.33 H new ATOM 0 HA2 GLY A 58 -16.146 -5.619 -23.763 1.00 61.32 H new ATOM 0 HA3 GLY A 58 -16.694 -3.957 -23.662 1.00 61.32 H new ATOM 587 N CYS A 59 -17.857 -4.788 -26.352 1.00 52.42 N ATOM 588 CA CYS A 59 -19.037 -5.090 -27.153 1.00 70.23 C ATOM 589 C CYS A 59 -18.713 -5.031 -28.643 1.00 43.43 C ATOM 590 O CYS A 59 -17.957 -4.167 -29.091 1.00 62.55 O ATOM 591 CB CYS A 59 -20.166 -4.111 -26.826 1.00 51.24 C ATOM 592 SG CYS A 59 -19.636 -2.371 -26.727 1.00 43.10 S ATOM 0 H CYS A 59 -17.125 -4.285 -26.853 1.00 52.42 H new ATOM 0 HA CYS A 59 -19.361 -6.102 -26.909 1.00 70.23 H new ATOM 0 HB2 CYS A 59 -20.942 -4.201 -27.586 1.00 51.24 H new ATOM 0 HB3 CYS A 59 -20.617 -4.397 -25.876 1.00 51.24 H new ATOM 597 N LEU A 60 -19.289 -5.953 -29.406 1.00 14.03 N ATOM 598 CA LEU A 60 -19.063 -6.006 -30.846 1.00 23.11 C ATOM 599 C LEU A 60 -20.381 -6.144 -31.600 1.00 34.21 C ATOM 600 O LEU A 60 -21.342 -6.725 -31.092 1.00 45.51 O ATOM 601 CB LEU A 60 -18.138 -7.174 -31.194 1.00 34.22 C ATOM 602 CG LEU A 60 -18.802 -8.548 -31.293 1.00 64.40 C ATOM 603 CD1 LEU A 60 -19.602 -8.847 -30.035 1.00 12.21 C ATOM 604 CD2 LEU A 60 -19.692 -8.623 -32.524 1.00 74.15 C ATOM 0 H LEU A 60 -19.917 -6.675 -29.051 1.00 14.03 H new ATOM 0 HA LEU A 60 -18.589 -5.072 -31.149 1.00 23.11 H new ATOM 0 HB2 LEU A 60 -17.654 -6.957 -32.146 1.00 34.22 H new ATOM 0 HB3 LEU A 60 -17.352 -7.226 -30.441 1.00 34.22 H new ATOM 0 HG LEU A 60 -18.020 -9.301 -31.388 1.00 64.40 H new ATOM 0 HD11 LEU A 60 -20.067 -9.829 -30.124 1.00 12.21 H new ATOM 0 HD12 LEU A 60 -18.938 -8.837 -29.171 1.00 12.21 H new ATOM 0 HD13 LEU A 60 -20.375 -8.090 -29.907 1.00 12.21 H new ATOM 0 HD21 LEU A 60 -20.156 -9.608 -32.578 1.00 74.15 H new ATOM 0 HD22 LEU A 60 -20.467 -7.860 -32.460 1.00 74.15 H new ATOM 0 HD23 LEU A 60 -19.091 -8.455 -33.418 1.00 74.15 H new ATOM 616 N CYS A 61 -20.421 -5.609 -32.816 1.00 22.15 N ATOM 617 CA CYS A 61 -21.620 -5.674 -33.642 1.00 14.55 C ATOM 618 C CYS A 61 -21.316 -6.310 -34.995 1.00 5.33 C ATOM 619 O CYS A 61 -20.566 -5.755 -35.799 1.00 33.30 O ATOM 620 CB CYS A 61 -22.202 -4.273 -33.844 1.00 4.25 C ATOM 621 SG CYS A 61 -20.952 -2.990 -34.177 1.00 62.10 S ATOM 0 H CYS A 61 -19.636 -5.125 -33.251 1.00 22.15 H new ATOM 0 HA CYS A 61 -22.353 -6.294 -33.126 1.00 14.55 H new ATOM 0 HB2 CYS A 61 -22.909 -4.301 -34.673 1.00 4.25 H new ATOM 0 HB3 CYS A 61 -22.766 -3.994 -32.954 1.00 4.25 H new ATOM 626 N VAL A 62 -21.902 -7.477 -35.239 1.00 71.30 N ATOM 627 CA VAL A 62 -21.695 -8.189 -36.495 1.00 10.14 C ATOM 628 C VAL A 62 -23.012 -8.391 -37.236 1.00 10.25 C ATOM 629 O VAL A 62 -23.922 -9.054 -36.737 1.00 14.12 O ATOM 630 CB VAL A 62 -21.035 -9.561 -36.260 1.00 51.31 C ATOM 631 CG1 VAL A 62 -21.839 -10.376 -35.258 1.00 45.40 C ATOM 632 CG2 VAL A 62 -20.887 -10.312 -37.574 1.00 73.15 C ATOM 0 H VAL A 62 -22.524 -7.950 -34.584 1.00 71.30 H new ATOM 0 HA VAL A 62 -21.031 -7.574 -37.102 1.00 10.14 H new ATOM 0 HB VAL A 62 -20.040 -9.400 -35.845 1.00 51.31 H new ATOM 0 HG11 VAL A 62 -21.358 -11.342 -35.105 1.00 45.40 H new ATOM 0 HG12 VAL A 62 -21.888 -9.841 -34.310 1.00 45.40 H new ATOM 0 HG13 VAL A 62 -22.848 -10.530 -35.641 1.00 45.40 H new ATOM 0 HG21 VAL A 62 -20.419 -11.279 -37.390 1.00 73.15 H new ATOM 0 HG22 VAL A 62 -21.870 -10.464 -38.019 1.00 73.15 H new ATOM 0 HG23 VAL A 62 -20.265 -9.732 -38.256 1.00 73.15 H new ATOM 642 N LEU A 63 -23.107 -7.815 -38.429 1.00 71.41 N ATOM 643 CA LEU A 63 -24.314 -7.932 -39.241 1.00 25.31 C ATOM 644 C LEU A 63 -24.007 -8.596 -40.580 1.00 2.43 C ATOM 645 O LEU A 63 -23.125 -8.153 -41.317 1.00 35.31 O ATOM 646 CB LEU A 63 -24.932 -6.552 -39.472 1.00 61.42 C ATOM 647 CG LEU A 63 -24.450 -5.800 -40.713 1.00 70.54 C ATOM 648 CD1 LEU A 63 -25.315 -4.575 -40.964 1.00 61.04 C ATOM 649 CD2 LEU A 63 -22.989 -5.402 -40.562 1.00 71.51 C ATOM 0 H LEU A 63 -22.363 -7.262 -38.856 1.00 71.41 H new ATOM 0 HA LEU A 63 -25.026 -8.557 -38.702 1.00 25.31 H new ATOM 0 HB2 LEU A 63 -26.014 -6.667 -39.539 1.00 61.42 H new ATOM 0 HB3 LEU A 63 -24.731 -5.935 -38.597 1.00 61.42 H new ATOM 0 HG LEU A 63 -24.538 -6.464 -41.573 1.00 70.54 H new ATOM 0 HD11 LEU A 63 -24.957 -4.052 -41.851 1.00 61.04 H new ATOM 0 HD12 LEU A 63 -26.349 -4.885 -41.118 1.00 61.04 H new ATOM 0 HD13 LEU A 63 -25.260 -3.908 -40.103 1.00 61.04 H new ATOM 0 HD21 LEU A 63 -22.663 -4.868 -41.455 1.00 71.51 H new ATOM 0 HD22 LEU A 63 -22.876 -4.756 -39.691 1.00 71.51 H new ATOM 0 HD23 LEU A 63 -22.380 -6.296 -40.432 1.00 71.51 H new ATOM 661 N LYS A 64 -24.741 -9.659 -40.889 1.00 53.44 N ATOM 662 CA LYS A 64 -24.552 -10.382 -42.141 1.00 65.10 C ATOM 663 C LYS A 64 -25.663 -10.054 -43.133 1.00 62.11 C ATOM 664 O LYS A 64 -26.844 -10.232 -42.838 1.00 42.11 O ATOM 665 CB LYS A 64 -24.514 -11.890 -41.882 1.00 5.13 C ATOM 666 CG LYS A 64 -23.116 -12.429 -41.633 1.00 24.22 C ATOM 667 CD LYS A 64 -22.733 -12.331 -40.165 1.00 73.34 C ATOM 668 CE LYS A 64 -23.148 -13.577 -39.397 1.00 53.31 C ATOM 669 NZ LYS A 64 -22.152 -14.674 -39.540 1.00 71.31 N1+ ATOM 0 H LYS A 64 -25.473 -10.039 -40.289 1.00 53.44 H new ATOM 0 HA LYS A 64 -23.601 -10.069 -42.572 1.00 65.10 H new ATOM 0 HB2 LYS A 64 -25.141 -12.118 -41.020 1.00 5.13 H new ATOM 0 HB3 LYS A 64 -24.947 -12.408 -42.738 1.00 5.13 H new ATOM 0 HG2 LYS A 64 -23.064 -13.469 -41.955 1.00 24.22 H new ATOM 0 HG3 LYS A 64 -22.398 -11.872 -42.235 1.00 24.22 H new ATOM 0 HD2 LYS A 64 -21.656 -12.190 -40.077 1.00 73.34 H new ATOM 0 HD3 LYS A 64 -23.206 -11.455 -39.722 1.00 73.34 H new ATOM 0 HE2 LYS A 64 -23.268 -13.330 -38.342 1.00 53.31 H new ATOM 0 HE3 LYS A 64 -24.119 -13.919 -39.756 1.00 53.31 H new ATOM 0 HZ1 LYS A 64 -22.471 -15.505 -39.002 1.00 71.31 H new ATOM 0 HZ2 LYS A 64 -22.056 -14.927 -40.544 1.00 71.31 H new ATOM 0 HZ3 LYS A 64 -21.232 -14.357 -39.174 1.00 71.31 H new ATOM 683 N GLY A 65 -25.276 -9.575 -44.312 1.00 22.24 N ATOM 684 CA GLY A 65 -26.252 -9.232 -45.329 1.00 44.43 C ATOM 685 C GLY A 65 -25.819 -9.662 -46.717 1.00 24.44 C ATOM 686 O GLY A 65 -24.835 -9.165 -47.266 1.00 14.01 O ATOM 0 H GLY A 65 -24.304 -9.419 -44.580 1.00 22.24 H new ATOM 0 HA2 GLY A 65 -27.205 -9.703 -45.087 1.00 44.43 H new ATOM 0 HA3 GLY A 65 -26.417 -8.155 -45.321 1.00 44.43 H new ATOM 690 N PRO A 66 -26.563 -10.611 -47.305 1.00 45.21 N ATOM 691 CA PRO A 66 -26.268 -11.130 -48.644 1.00 34.41 C ATOM 692 C PRO A 66 -26.539 -10.102 -49.737 1.00 63.20 C ATOM 693 O PRO A 66 -26.616 -8.903 -49.469 1.00 60.11 O ATOM 694 CB PRO A 66 -27.223 -12.319 -48.780 1.00 63.44 C ATOM 695 CG PRO A 66 -28.351 -12.008 -47.859 1.00 2.52 C ATOM 696 CD PRO A 66 -27.748 -11.249 -46.709 1.00 14.51 C ATOM 0 HA PRO A 66 -25.216 -11.394 -48.757 1.00 34.41 H new ATOM 0 HB2 PRO A 66 -27.570 -12.432 -49.807 1.00 63.44 H new ATOM 0 HB3 PRO A 66 -26.733 -13.253 -48.505 1.00 63.44 H new ATOM 0 HG2 PRO A 66 -29.113 -11.413 -48.362 1.00 2.52 H new ATOM 0 HG3 PRO A 66 -28.836 -12.921 -47.513 1.00 2.52 H new ATOM 0 HD2 PRO A 66 -28.442 -10.511 -46.307 1.00 14.51 H new ATOM 0 HD3 PRO A 66 -27.477 -11.912 -45.888 1.00 14.51 H new ATOM 704 N ASP A 67 -26.682 -10.579 -50.969 1.00 1.14 N ATOM 705 CA ASP A 67 -26.945 -9.701 -52.103 1.00 12.44 C ATOM 706 C ASP A 67 -28.151 -8.808 -51.830 1.00 15.54 C ATOM 707 O ASP A 67 -28.302 -7.748 -52.438 1.00 33.11 O ATOM 708 CB ASP A 67 -27.181 -10.525 -53.369 1.00 55.32 C ATOM 709 CG ASP A 67 -26.038 -11.475 -53.663 1.00 63.41 C ATOM 710 OD1 ASP A 67 -26.301 -12.683 -53.842 1.00 63.23 O ATOM 711 OD2 ASP A 67 -24.880 -11.012 -53.715 1.00 4.52 O ATOM 0 H ASP A 67 -26.620 -11.569 -51.207 1.00 1.14 H new ATOM 0 HA ASP A 67 -26.071 -9.066 -52.250 1.00 12.44 H new ATOM 0 HB2 ASP A 67 -28.104 -11.094 -53.261 1.00 55.32 H new ATOM 0 HB3 ASP A 67 -27.318 -9.853 -54.216 1.00 55.32 H new ATOM 716 N SER A 68 -29.008 -9.243 -50.912 1.00 34.33 N ATOM 717 CA SER A 68 -30.204 -8.486 -50.561 1.00 52.15 C ATOM 718 C SER A 68 -29.920 -7.523 -49.413 1.00 12.41 C ATOM 719 O SER A 68 -30.834 -7.086 -48.713 1.00 3.24 O ATOM 720 CB SER A 68 -31.341 -9.435 -50.177 1.00 25.33 C ATOM 721 OG SER A 68 -31.320 -10.606 -50.976 1.00 2.45 O ATOM 0 H SER A 68 -28.896 -10.117 -50.397 1.00 34.33 H new ATOM 0 HA SER A 68 -30.505 -7.905 -51.433 1.00 52.15 H new ATOM 0 HB2 SER A 68 -31.252 -9.707 -49.125 1.00 25.33 H new ATOM 0 HB3 SER A 68 -32.298 -8.927 -50.295 1.00 25.33 H new ATOM 0 HG SER A 68 -32.055 -11.197 -50.710 1.00 2.45 H new ATOM 727 N LYS A 69 -28.646 -7.195 -49.225 1.00 72.22 N ATOM 728 CA LYS A 69 -28.239 -6.283 -48.163 1.00 43.12 C ATOM 729 C LYS A 69 -29.067 -5.002 -48.199 1.00 24.33 C ATOM 730 O LYS A 69 -29.686 -4.680 -49.213 1.00 20.23 O ATOM 731 CB LYS A 69 -26.752 -5.945 -48.295 1.00 61.43 C ATOM 732 CG LYS A 69 -26.382 -5.344 -49.640 1.00 1.30 C ATOM 733 CD LYS A 69 -25.836 -6.396 -50.591 1.00 34.13 C ATOM 734 CE LYS A 69 -24.925 -5.780 -51.641 1.00 4.15 C ATOM 735 NZ LYS A 69 -25.692 -5.009 -52.658 1.00 3.13 N1+ ATOM 0 H LYS A 69 -27.877 -7.548 -49.795 1.00 72.22 H new ATOM 0 HA LYS A 69 -28.410 -6.779 -47.207 1.00 43.12 H new ATOM 0 HB2 LYS A 69 -26.475 -5.246 -47.506 1.00 61.43 H new ATOM 0 HB3 LYS A 69 -26.167 -6.851 -48.138 1.00 61.43 H new ATOM 0 HG2 LYS A 69 -27.260 -4.873 -50.083 1.00 1.30 H new ATOM 0 HG3 LYS A 69 -25.638 -4.561 -49.497 1.00 1.30 H new ATOM 0 HD2 LYS A 69 -25.285 -7.148 -50.026 1.00 34.13 H new ATOM 0 HD3 LYS A 69 -26.663 -6.909 -51.081 1.00 34.13 H new ATOM 0 HE2 LYS A 69 -24.204 -5.123 -51.155 1.00 4.15 H new ATOM 0 HE3 LYS A 69 -24.356 -6.568 -52.135 1.00 4.15 H new ATOM 0 HZ1 LYS A 69 -25.052 -4.705 -53.419 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -26.442 -5.609 -53.056 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -26.119 -4.173 -52.211 1.00 3.13 H new ATOM 749 N ASP A 70 -29.072 -4.276 -47.087 1.00 5.43 N ATOM 750 CA ASP A 70 -29.821 -3.028 -46.992 1.00 33.44 C ATOM 751 C ASP A 70 -29.132 -2.050 -46.046 1.00 24.55 C ATOM 752 O ASP A 70 -28.017 -2.297 -45.588 1.00 3.44 O ATOM 753 CB ASP A 70 -31.248 -3.301 -46.512 1.00 23.31 C ATOM 754 CG ASP A 70 -31.848 -4.537 -47.154 1.00 1.25 C ATOM 755 OD1 ASP A 70 -32.154 -4.488 -48.363 1.00 43.51 O ATOM 756 OD2 ASP A 70 -32.013 -5.553 -46.446 1.00 2.31 O ATOM 0 H ASP A 70 -28.566 -4.530 -46.239 1.00 5.43 H new ATOM 0 HA ASP A 70 -29.858 -2.579 -47.985 1.00 33.44 H new ATOM 0 HB2 ASP A 70 -31.247 -3.422 -45.429 1.00 23.31 H new ATOM 0 HB3 ASP A 70 -31.875 -2.438 -46.736 1.00 23.31 H new ATOM 761 N ASN A 71 -29.803 -0.940 -45.758 1.00 43.22 N ATOM 762 CA ASN A 71 -29.253 0.076 -44.868 1.00 15.40 C ATOM 763 C ASN A 71 -29.494 -0.293 -43.407 1.00 50.43 C ATOM 764 O ASN A 71 -29.295 0.525 -42.508 1.00 0.31 O ATOM 765 CB ASN A 71 -29.877 1.440 -45.170 1.00 54.35 C ATOM 766 CG ASN A 71 -31.386 1.432 -45.020 1.00 74.13 C ATOM 767 OD1 ASN A 71 -32.097 0.817 -45.816 1.00 11.13 O ATOM 768 ND2 ASN A 71 -31.883 2.117 -43.997 1.00 22.35 N ATOM 0 H ASN A 71 -30.728 -0.721 -46.128 1.00 43.22 H new ATOM 0 HA ASN A 71 -28.178 0.130 -45.039 1.00 15.40 H new ATOM 0 HB2 ASN A 71 -29.452 2.187 -44.500 1.00 54.35 H new ATOM 0 HB3 ASN A 71 -29.617 1.738 -46.186 1.00 54.35 H new ATOM 0 HD21 ASN A 71 -32.891 2.148 -43.846 1.00 22.35 H new ATOM 0 HD22 ASN A 71 -31.257 2.612 -43.362 1.00 22.35 H new ATOM 775 N LEU A 72 -29.923 -1.529 -43.178 1.00 45.11 N ATOM 776 CA LEU A 72 -30.190 -2.008 -41.826 1.00 41.33 C ATOM 777 C LEU A 72 -28.999 -1.745 -40.910 1.00 61.31 C ATOM 778 O LEU A 72 -27.885 -1.506 -41.377 1.00 21.13 O ATOM 779 CB LEU A 72 -30.511 -3.503 -41.848 1.00 33.10 C ATOM 780 CG LEU A 72 -31.994 -3.872 -41.780 1.00 63.05 C ATOM 781 CD1 LEU A 72 -32.557 -3.568 -40.401 1.00 30.41 C ATOM 782 CD2 LEU A 72 -32.777 -3.130 -42.854 1.00 33.34 C ATOM 0 H LEU A 72 -30.093 -2.218 -43.911 1.00 45.11 H new ATOM 0 HA LEU A 72 -31.051 -1.464 -41.437 1.00 41.33 H new ATOM 0 HB2 LEU A 72 -30.092 -3.931 -42.759 1.00 33.10 H new ATOM 0 HB3 LEU A 72 -30.000 -3.976 -41.009 1.00 33.10 H new ATOM 0 HG LEU A 72 -32.092 -4.942 -41.961 1.00 63.05 H new ATOM 0 HD11 LEU A 72 -33.613 -3.837 -40.372 1.00 30.41 H new ATOM 0 HD12 LEU A 72 -32.015 -4.144 -39.651 1.00 30.41 H new ATOM 0 HD13 LEU A 72 -32.448 -2.504 -40.190 1.00 30.41 H new ATOM 0 HD21 LEU A 72 -33.830 -3.404 -42.791 1.00 33.34 H new ATOM 0 HD22 LEU A 72 -32.672 -2.056 -42.704 1.00 33.34 H new ATOM 0 HD23 LEU A 72 -32.390 -3.398 -43.837 1.00 33.34 H new ATOM 794 N ASP A 73 -29.241 -1.794 -39.605 1.00 13.31 N ATOM 795 CA ASP A 73 -28.188 -1.564 -38.623 1.00 31.53 C ATOM 796 C ASP A 73 -28.054 -2.758 -37.682 1.00 4.43 C ATOM 797 O ASP A 73 -29.030 -3.448 -37.395 1.00 74.53 O ATOM 798 CB ASP A 73 -28.478 -0.296 -37.819 1.00 41.33 C ATOM 799 CG ASP A 73 -29.956 -0.115 -37.537 1.00 13.54 C ATOM 800 OD1 ASP A 73 -30.594 0.714 -38.220 1.00 33.20 O ATOM 801 OD2 ASP A 73 -30.476 -0.802 -36.633 1.00 4.45 O ATOM 0 H ASP A 73 -30.157 -1.991 -39.202 1.00 13.31 H new ATOM 0 HA ASP A 73 -27.247 -1.437 -39.158 1.00 31.53 H new ATOM 0 HB2 ASP A 73 -27.933 -0.335 -36.876 1.00 41.33 H new ATOM 0 HB3 ASP A 73 -28.107 0.571 -38.366 1.00 41.33 H new ATOM 806 N GLY A 74 -26.835 -2.994 -37.204 1.00 73.44 N ATOM 807 CA GLY A 74 -26.595 -4.105 -36.302 1.00 30.20 C ATOM 808 C GLY A 74 -26.538 -3.671 -34.851 1.00 32.43 C ATOM 809 O GLY A 74 -26.512 -2.477 -34.552 1.00 13.12 O ATOM 0 H GLY A 74 -26.011 -2.436 -37.426 1.00 73.44 H new ATOM 0 HA2 GLY A 74 -27.384 -4.846 -36.426 1.00 30.20 H new ATOM 0 HA3 GLY A 74 -25.657 -4.591 -36.570 1.00 30.20 H new ATOM 813 N THR A 75 -26.520 -4.644 -33.944 1.00 54.41 N ATOM 814 CA THR A 75 -26.469 -4.356 -32.516 1.00 75.42 C ATOM 815 C THR A 75 -25.142 -4.801 -31.913 1.00 31.11 C ATOM 816 O THR A 75 -24.370 -5.520 -32.548 1.00 22.24 O ATOM 817 CB THR A 75 -27.621 -5.049 -31.762 1.00 44.15 C ATOM 818 OG1 THR A 75 -28.628 -5.471 -32.688 1.00 71.41 O ATOM 819 CG2 THR A 75 -28.233 -4.113 -30.731 1.00 43.33 C ATOM 0 H THR A 75 -26.540 -5.638 -34.174 1.00 54.41 H new ATOM 0 HA THR A 75 -26.571 -3.276 -32.407 1.00 75.42 H new ATOM 0 HB THR A 75 -27.216 -5.919 -31.245 1.00 44.15 H new ATOM 0 HG1 THR A 75 -29.356 -5.912 -32.202 1.00 71.41 H new ATOM 0 HG21 THR A 75 -29.044 -4.624 -30.212 1.00 43.33 H new ATOM 0 HG22 THR A 75 -27.470 -3.817 -30.011 1.00 43.33 H new ATOM 0 HG23 THR A 75 -28.624 -3.227 -31.231 1.00 43.33 H new ATOM 827 N CYS A 76 -24.882 -4.370 -30.683 1.00 53.32 N ATOM 828 CA CYS A 76 -23.648 -4.723 -29.993 1.00 61.41 C ATOM 829 C CYS A 76 -23.943 -5.507 -28.717 1.00 72.04 C ATOM 830 O CYS A 76 -24.875 -5.184 -27.980 1.00 24.34 O ATOM 831 CB CYS A 76 -22.848 -3.463 -29.657 1.00 21.31 C ATOM 832 SG CYS A 76 -21.420 -3.175 -30.751 1.00 30.11 S ATOM 0 H CYS A 76 -25.511 -3.775 -30.144 1.00 53.32 H new ATOM 0 HA CYS A 76 -23.057 -5.354 -30.658 1.00 61.41 H new ATOM 0 HB2 CYS A 76 -23.512 -2.600 -29.709 1.00 21.31 H new ATOM 0 HB3 CYS A 76 -22.495 -3.533 -28.628 1.00 21.31 H new ATOM 0 HG CYS A 76 -21.398 -1.927 -31.116 1.00 30.11 H new ATOM 837 N TYR A 77 -23.144 -6.537 -28.464 1.00 61.35 N ATOM 838 CA TYR A 77 -23.320 -7.369 -27.280 1.00 12.33 C ATOM 839 C TYR A 77 -21.981 -7.645 -26.604 1.00 63.40 C ATOM 840 O TYR A 77 -20.953 -7.784 -27.269 1.00 31.30 O ATOM 841 CB TYR A 77 -23.998 -8.688 -27.653 1.00 61.21 C ATOM 842 CG TYR A 77 -24.398 -9.523 -26.458 1.00 11.14 C ATOM 843 CD1 TYR A 77 -24.945 -8.933 -25.325 1.00 52.11 C ATOM 844 CD2 TYR A 77 -24.230 -10.902 -26.461 1.00 63.23 C ATOM 845 CE1 TYR A 77 -25.311 -9.692 -24.230 1.00 54.34 C ATOM 846 CE2 TYR A 77 -24.594 -11.669 -25.372 1.00 35.24 C ATOM 847 CZ TYR A 77 -25.134 -11.059 -24.259 1.00 33.35 C ATOM 848 OH TYR A 77 -25.499 -11.819 -23.171 1.00 12.14 O ATOM 0 H TYR A 77 -22.367 -6.816 -29.064 1.00 61.35 H new ATOM 0 HA TYR A 77 -23.955 -6.828 -26.579 1.00 12.33 H new ATOM 0 HB2 TYR A 77 -24.885 -8.475 -28.250 1.00 61.21 H new ATOM 0 HB3 TYR A 77 -23.323 -9.269 -28.282 1.00 61.21 H new ATOM 0 HD1 TYR A 77 -25.086 -7.863 -25.300 1.00 52.11 H new ATOM 0 HD2 TYR A 77 -23.807 -11.383 -27.331 1.00 63.23 H new ATOM 0 HE1 TYR A 77 -25.733 -9.217 -23.357 1.00 54.34 H new ATOM 0 HE2 TYR A 77 -24.457 -12.740 -25.392 1.00 35.24 H new ATOM 0 HH TYR A 77 -25.310 -12.763 -23.353 1.00 12.14 H new