USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, 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 Set 1.1: A 35 CYS SG : rot -117:sc= -23.2! USER MOD Set 1.2: A 59 CYS SG : rot -70:sc= -20.6! USER MOD Single : A 37 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.026) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 46 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1.1) 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+ 167:sc= 0.0402 (180deg=0.0178) USER MOD Single : A 71 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.5!) 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 -18.167 -2.108 -22.820 1.00 14.13 N ATOM 233 CA CYS A 35 -18.358 -1.510 -24.135 1.00 54.44 C ATOM 234 C CYS A 35 -19.677 -0.744 -24.198 1.00 41.05 C ATOM 235 O CYS A 35 -20.539 -0.900 -23.335 1.00 32.34 O ATOM 236 CB CYS A 35 -18.331 -2.590 -25.219 1.00 3.43 C ATOM 237 SG CYS A 35 -17.754 -1.999 -26.843 1.00 15.12 S ATOM 0 HA CYS A 35 -17.542 -0.809 -24.309 1.00 54.44 H new ATOM 0 HB2 CYS A 35 -17.685 -3.404 -24.890 1.00 3.43 H new ATOM 0 HB3 CYS A 35 -19.333 -3.004 -25.330 1.00 3.43 H new ATOM 0 HG CYS A 35 -18.711 -2.121 -27.714 1.00 15.12 H new ATOM 242 N ALA A 36 -19.825 0.084 -25.228 1.00 34.34 N ATOM 243 CA ALA A 36 -21.039 0.872 -25.405 1.00 63.33 C ATOM 244 C ALA A 36 -22.027 0.159 -26.323 1.00 3.24 C ATOM 245 O ALA A 36 -21.671 -0.798 -27.009 1.00 52.54 O ATOM 246 CB ALA A 36 -20.698 2.247 -25.960 1.00 13.13 C ATOM 0 H ALA A 36 -19.120 0.226 -25.951 1.00 34.34 H new ATOM 0 HA ALA A 36 -21.511 0.992 -24.430 1.00 63.33 H new ATOM 0 HB1 ALA A 36 -21.613 2.825 -26.087 1.00 13.13 H new ATOM 0 HB2 ALA A 36 -20.035 2.765 -25.267 1.00 13.13 H new ATOM 0 HB3 ALA A 36 -20.201 2.137 -26.924 1.00 13.13 H new ATOM 252 N ASN A 37 -23.269 0.632 -26.328 1.00 21.10 N ATOM 253 CA ASN A 37 -24.309 0.038 -27.161 1.00 1.45 C ATOM 254 C ASN A 37 -24.300 0.648 -28.559 1.00 12.30 C ATOM 255 O ASN A 37 -25.272 0.530 -29.306 1.00 22.13 O ATOM 256 CB ASN A 37 -25.682 0.235 -26.515 1.00 30.32 C ATOM 257 CG ASN A 37 -26.459 -1.063 -26.403 1.00 53.34 C ATOM 258 OD1 ASN A 37 -27.095 -1.333 -25.384 1.00 44.01 O ATOM 259 ND2 ASN A 37 -26.412 -1.873 -27.454 1.00 43.25 N ATOM 0 H ASN A 37 -23.580 1.424 -25.765 1.00 21.10 H new ATOM 0 HA ASN A 37 -24.105 -1.029 -27.248 1.00 1.45 H new ATOM 0 HB2 ASN A 37 -25.555 0.666 -25.522 1.00 30.32 H new ATOM 0 HB3 ASN A 37 -26.258 0.951 -27.102 1.00 30.32 H new ATOM 0 HD21 ASN A 37 -26.916 -2.760 -27.437 1.00 43.25 H new ATOM 0 HD22 ASN A 37 -25.872 -1.609 -28.278 1.00 43.25 H new ATOM 266 N VAL A 38 -23.196 1.301 -28.907 1.00 63.23 N ATOM 267 CA VAL A 38 -23.059 1.928 -30.216 1.00 70.04 C ATOM 268 C VAL A 38 -23.543 0.999 -31.324 1.00 61.11 C ATOM 269 O VAL A 38 -23.398 -0.221 -31.235 1.00 1.20 O ATOM 270 CB VAL A 38 -21.598 2.327 -30.498 1.00 12.13 C ATOM 271 CG1 VAL A 38 -21.044 3.165 -29.356 1.00 20.15 C ATOM 272 CG2 VAL A 38 -20.743 1.090 -30.726 1.00 40.14 C ATOM 0 H VAL A 38 -22.383 1.410 -28.300 1.00 63.23 H new ATOM 0 HA VAL A 38 -23.677 2.826 -30.202 1.00 70.04 H new ATOM 0 HB VAL A 38 -21.573 2.930 -31.405 1.00 12.13 H new ATOM 0 HG11 VAL A 38 -20.011 3.438 -29.573 1.00 20.15 H new ATOM 0 HG12 VAL A 38 -21.642 4.069 -29.245 1.00 20.15 H new ATOM 0 HG13 VAL A 38 -21.081 2.589 -28.431 1.00 20.15 H new ATOM 0 HG21 VAL A 38 -19.714 1.390 -30.924 1.00 40.14 H new ATOM 0 HG22 VAL A 38 -20.772 0.459 -29.838 1.00 40.14 H new ATOM 0 HG23 VAL A 38 -21.129 0.533 -31.580 1.00 40.14 H new ATOM 282 N THR A 39 -24.119 1.584 -32.370 1.00 61.40 N ATOM 283 CA THR A 39 -24.625 0.809 -33.496 1.00 31.22 C ATOM 284 C THR A 39 -23.801 1.063 -34.753 1.00 31.31 C ATOM 285 O THR A 39 -23.163 2.107 -34.889 1.00 0.01 O ATOM 286 CB THR A 39 -26.101 1.140 -33.787 1.00 41.25 C ATOM 287 OG1 THR A 39 -26.273 2.558 -33.894 1.00 21.21 O ATOM 288 CG2 THR A 39 -27.005 0.595 -32.692 1.00 4.43 C ATOM 0 H THR A 39 -24.247 2.592 -32.460 1.00 61.40 H new ATOM 0 HA THR A 39 -24.544 -0.242 -33.219 1.00 31.22 H new ATOM 0 HB THR A 39 -26.377 0.669 -34.730 1.00 41.25 H new ATOM 0 HG1 THR A 39 -27.214 2.760 -34.081 1.00 21.21 H new ATOM 0 HG21 THR A 39 -28.042 0.841 -32.920 1.00 4.43 H new ATOM 0 HG22 THR A 39 -26.894 -0.488 -32.634 1.00 4.43 H new ATOM 0 HG23 THR A 39 -26.728 1.040 -31.736 1.00 4.43 H new ATOM 296 N CYS A 40 -23.819 0.102 -35.671 1.00 31.14 N ATOM 297 CA CYS A 40 -23.074 0.221 -36.918 1.00 23.12 C ATOM 298 C CYS A 40 -24.019 0.265 -38.115 1.00 34.44 C ATOM 299 O CYS A 40 -25.218 0.016 -37.981 1.00 62.03 O ATOM 300 CB CYS A 40 -22.098 -0.948 -37.067 1.00 34.40 C ATOM 301 SG CYS A 40 -22.838 -2.580 -36.739 1.00 33.32 S ATOM 0 H CYS A 40 -24.342 -0.768 -35.574 1.00 31.14 H new ATOM 0 HA CYS A 40 -22.511 1.154 -36.888 1.00 23.12 H new ATOM 0 HB2 CYS A 40 -21.692 -0.942 -38.078 1.00 34.40 H new ATOM 0 HB3 CYS A 40 -21.260 -0.797 -36.386 1.00 34.40 H new ATOM 306 N ARG A 41 -23.472 0.582 -39.283 1.00 43.12 N ATOM 307 CA ARG A 41 -24.266 0.659 -40.503 1.00 41.43 C ATOM 308 C ARG A 41 -23.631 -0.166 -41.619 1.00 4.33 C ATOM 309 O ARG A 41 -22.444 -0.021 -41.912 1.00 62.23 O ATOM 310 CB ARG A 41 -24.412 2.115 -40.951 1.00 22.11 C ATOM 311 CG ARG A 41 -25.718 2.402 -41.673 1.00 50.11 C ATOM 312 CD ARG A 41 -26.127 3.859 -41.527 1.00 1.44 C ATOM 313 NE ARG A 41 -27.265 4.197 -42.377 1.00 33.40 N ATOM 314 CZ ARG A 41 -27.824 5.401 -42.413 1.00 15.01 C ATOM 315 NH1 ARG A 41 -27.352 6.378 -41.651 1.00 35.35 N1+ ATOM 316 NH2 ARG A 41 -28.858 5.630 -43.213 1.00 42.51 N ATOM 0 H ARG A 41 -22.482 0.790 -39.411 1.00 43.12 H new ATOM 0 HA ARG A 41 -25.254 0.250 -40.290 1.00 41.43 H new ATOM 0 HB2 ARG A 41 -24.339 2.764 -40.078 1.00 22.11 H new ATOM 0 HB3 ARG A 41 -23.580 2.369 -41.608 1.00 22.11 H new ATOM 0 HG2 ARG A 41 -25.612 2.157 -42.730 1.00 50.11 H new ATOM 0 HG3 ARG A 41 -26.504 1.761 -41.274 1.00 50.11 H new ATOM 0 HD2 ARG A 41 -26.379 4.062 -40.486 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -25.282 4.500 -41.781 1.00 1.44 H new ATOM 0 HE ARG A 41 -27.652 3.468 -42.976 1.00 33.40 H new ATOM 0 HH11 ARG A 41 -26.557 6.206 -41.035 1.00 35.35 H new ATOM 0 HH12 ARG A 41 -27.783 7.302 -41.681 1.00 35.35 H new ATOM 0 HH21 ARG A 41 -29.224 4.881 -43.801 1.00 42.51 H new ATOM 0 HH22 ARG A 41 -29.287 6.555 -43.240 1.00 42.51 H new ATOM 330 N ARG A 42 -24.429 -1.031 -42.236 1.00 2.12 N ATOM 331 CA ARG A 42 -23.944 -1.880 -43.317 1.00 73.22 C ATOM 332 C ARG A 42 -24.936 -1.903 -44.476 1.00 72.15 C ATOM 333 O ARG A 42 -26.104 -2.253 -44.302 1.00 51.14 O ATOM 334 CB ARG A 42 -23.705 -3.303 -42.809 1.00 3.14 C ATOM 335 CG ARG A 42 -23.345 -4.290 -43.907 1.00 44.21 C ATOM 336 CD ARG A 42 -24.258 -5.506 -43.885 1.00 4.40 C ATOM 337 NE ARG A 42 -25.664 -5.137 -44.022 1.00 10.51 N ATOM 338 CZ ARG A 42 -26.261 -4.937 -45.192 1.00 1.23 C ATOM 339 NH1 ARG A 42 -25.577 -5.070 -46.320 1.00 33.52 N1+ ATOM 340 NH2 ARG A 42 -27.544 -4.603 -45.235 1.00 35.24 N ATOM 0 H ARG A 42 -25.414 -1.162 -42.006 1.00 2.12 H new ATOM 0 HA ARG A 42 -23.001 -1.466 -43.675 1.00 73.22 H new ATOM 0 HB2 ARG A 42 -22.903 -3.286 -42.070 1.00 3.14 H new ATOM 0 HB3 ARG A 42 -24.602 -3.653 -42.298 1.00 3.14 H new ATOM 0 HG2 ARG A 42 -23.416 -3.798 -44.877 1.00 44.21 H new ATOM 0 HG3 ARG A 42 -22.310 -4.609 -43.786 1.00 44.21 H new ATOM 0 HD2 ARG A 42 -23.980 -6.182 -44.693 1.00 4.40 H new ATOM 0 HD3 ARG A 42 -24.115 -6.050 -42.951 1.00 4.40 H new ATOM 0 HE ARG A 42 -26.218 -5.027 -43.173 1.00 10.51 H new ATOM 0 HH11 ARG A 42 -24.590 -5.326 -46.291 1.00 33.52 H new ATOM 0 HH12 ARG A 42 -26.038 -4.916 -47.217 1.00 33.52 H new ATOM 0 HH21 ARG A 42 -28.073 -4.499 -44.369 1.00 35.24 H new ATOM 0 HH22 ARG A 42 -28.001 -4.450 -46.134 1.00 35.24 H new ATOM 354 N THR A 43 -24.463 -1.527 -45.661 1.00 33.41 N ATOM 355 CA THR A 43 -25.308 -1.503 -46.848 1.00 61.03 C ATOM 356 C THR A 43 -24.528 -1.929 -48.087 1.00 3.52 C ATOM 357 O THR A 43 -23.337 -1.641 -48.212 1.00 31.30 O ATOM 358 CB THR A 43 -25.902 -0.102 -47.086 1.00 74.12 C ATOM 359 OG1 THR A 43 -26.161 0.540 -45.833 1.00 23.15 O ATOM 360 CG2 THR A 43 -27.190 -0.190 -47.891 1.00 71.23 C ATOM 0 H THR A 43 -23.499 -1.235 -45.823 1.00 33.41 H new ATOM 0 HA THR A 43 -26.120 -2.209 -46.673 1.00 61.03 H new ATOM 0 HB THR A 43 -25.177 0.484 -47.651 1.00 74.12 H new ATOM 0 HG1 THR A 43 -26.537 1.431 -45.993 1.00 23.15 H new ATOM 0 HG21 THR A 43 -27.591 0.812 -48.046 1.00 71.23 H new ATOM 0 HG22 THR A 43 -26.985 -0.653 -48.856 1.00 71.23 H new ATOM 0 HG23 THR A 43 -27.918 -0.792 -47.348 1.00 71.23 H new ATOM 368 N VAL A 44 -25.206 -2.614 -49.001 1.00 71.53 N ATOM 369 CA VAL A 44 -24.576 -3.078 -50.232 1.00 34.21 C ATOM 370 C VAL A 44 -25.609 -3.280 -51.335 1.00 61.41 C ATOM 371 O VAL A 44 -26.520 -4.098 -51.205 1.00 22.33 O ATOM 372 CB VAL A 44 -23.814 -4.398 -50.009 1.00 42.24 C ATOM 373 CG1 VAL A 44 -24.745 -5.466 -49.455 1.00 44.33 C ATOM 374 CG2 VAL A 44 -23.166 -4.863 -51.305 1.00 32.32 C ATOM 0 H VAL A 44 -26.192 -2.860 -48.913 1.00 71.53 H new ATOM 0 HA VAL A 44 -23.869 -2.306 -50.537 1.00 34.21 H new ATOM 0 HB VAL A 44 -23.026 -4.224 -49.277 1.00 42.24 H new ATOM 0 HG11 VAL A 44 -24.189 -6.391 -49.304 1.00 44.33 H new ATOM 0 HG12 VAL A 44 -25.157 -5.131 -48.503 1.00 44.33 H new ATOM 0 HG13 VAL A 44 -25.557 -5.642 -50.160 1.00 44.33 H new ATOM 0 HG21 VAL A 44 -22.632 -5.797 -51.130 1.00 32.32 H new ATOM 0 HG22 VAL A 44 -23.936 -5.021 -52.060 1.00 32.32 H new ATOM 0 HG23 VAL A 44 -22.466 -4.104 -51.654 1.00 32.32 H new ATOM 384 N ASP A 45 -25.460 -2.530 -52.421 1.00 73.34 N ATOM 385 CA ASP A 45 -26.379 -2.628 -53.550 1.00 12.14 C ATOM 386 C ASP A 45 -25.616 -2.803 -54.859 1.00 2.33 C ATOM 387 O ASP A 45 -24.476 -2.359 -54.988 1.00 2.33 O ATOM 388 CB ASP A 45 -27.264 -1.383 -53.623 1.00 52.32 C ATOM 389 CG ASP A 45 -28.489 -1.593 -54.491 1.00 71.43 C ATOM 390 OD1 ASP A 45 -28.864 -0.656 -55.227 1.00 11.15 O ATOM 391 OD2 ASP A 45 -29.072 -2.696 -54.436 1.00 72.11 O ATOM 0 H ASP A 45 -24.712 -1.848 -52.544 1.00 73.34 H new ATOM 0 HA ASP A 45 -27.009 -3.504 -53.399 1.00 12.14 H new ATOM 0 HB2 ASP A 45 -27.579 -1.105 -52.617 1.00 52.32 H new ATOM 0 HB3 ASP A 45 -26.682 -0.550 -54.017 1.00 52.32 H new ATOM 396 N ASN A 46 -26.253 -3.454 -55.827 1.00 4.32 N ATOM 397 CA ASN A 46 -25.633 -3.689 -57.126 1.00 3.12 C ATOM 398 C ASN A 46 -24.215 -4.228 -56.962 1.00 42.13 C ATOM 399 O ASN A 46 -23.361 -4.031 -57.828 1.00 35.34 O ATOM 400 CB ASN A 46 -25.608 -2.396 -57.944 1.00 23.12 C ATOM 401 CG ASN A 46 -26.871 -2.204 -58.761 1.00 22.51 C ATOM 402 OD1 ASN A 46 -27.726 -3.089 -58.820 1.00 5.54 O ATOM 403 ND2 ASN A 46 -26.994 -1.045 -59.397 1.00 23.22 N ATOM 0 H ASN A 46 -27.198 -3.828 -55.737 1.00 4.32 H new ATOM 0 HA ASN A 46 -26.227 -4.434 -57.655 1.00 3.12 H new ATOM 0 HB2 ASN A 46 -25.480 -1.547 -57.272 1.00 23.12 H new ATOM 0 HB3 ASN A 46 -24.746 -2.408 -58.611 1.00 23.12 H new ATOM 0 HD21 ASN A 46 -27.822 -0.859 -59.963 1.00 23.22 H new ATOM 0 HD22 ASN A 46 -26.260 -0.340 -59.320 1.00 23.22 H new ATOM 410 N ARG A 47 -23.971 -4.909 -55.847 1.00 54.31 N ATOM 411 CA ARG A 47 -22.657 -5.476 -55.570 1.00 12.33 C ATOM 412 C ARG A 47 -22.704 -7.000 -55.608 1.00 21.43 C ATOM 413 O ARG A 47 -21.746 -7.651 -56.024 1.00 54.23 O ATOM 414 CB ARG A 47 -22.153 -5.004 -54.205 1.00 23.24 C ATOM 415 CG ARG A 47 -20.697 -4.568 -54.211 1.00 24.22 C ATOM 416 CD ARG A 47 -20.323 -3.855 -52.921 1.00 30.44 C ATOM 417 NE ARG A 47 -19.757 -4.771 -51.933 1.00 75.14 N ATOM 418 CZ ARG A 47 -19.065 -4.372 -50.872 1.00 53.23 C ATOM 419 NH1 ARG A 47 -18.855 -3.080 -50.662 1.00 4.21 N1+ ATOM 420 NH2 ARG A 47 -18.583 -5.266 -50.019 1.00 4.33 N ATOM 0 H ARG A 47 -24.666 -5.081 -55.121 1.00 54.31 H new ATOM 0 HA ARG A 47 -21.969 -5.132 -56.343 1.00 12.33 H new ATOM 0 HB2 ARG A 47 -22.771 -4.172 -53.867 1.00 23.24 H new ATOM 0 HB3 ARG A 47 -22.279 -5.810 -53.482 1.00 23.24 H new ATOM 0 HG2 ARG A 47 -20.056 -5.439 -54.345 1.00 24.22 H new ATOM 0 HG3 ARG A 47 -20.518 -3.907 -55.059 1.00 24.22 H new ATOM 0 HD2 ARG A 47 -19.603 -3.066 -53.138 1.00 30.44 H new ATOM 0 HD3 ARG A 47 -21.207 -3.373 -52.504 1.00 30.44 H new ATOM 0 HE ARG A 47 -19.901 -5.772 -52.066 1.00 75.14 H new ATOM 0 HH11 ARG A 47 -19.225 -2.390 -51.316 1.00 4.21 H new ATOM 0 HH12 ARG A 47 -18.323 -2.776 -49.846 1.00 4.21 H new ATOM 0 HH21 ARG A 47 -18.744 -6.261 -50.178 1.00 4.33 H new ATOM 0 HH22 ARG A 47 -18.052 -4.959 -49.204 1.00 4.33 H new ATOM 434 N GLY A 48 -23.825 -7.564 -55.169 1.00 33.32 N ATOM 435 CA GLY A 48 -23.976 -9.008 -55.160 1.00 42.35 C ATOM 436 C GLY A 48 -23.161 -9.669 -54.067 1.00 33.25 C ATOM 437 O GLY A 48 -23.255 -10.879 -53.857 1.00 44.13 O ATOM 0 H GLY A 48 -24.632 -7.047 -54.819 1.00 33.32 H new ATOM 0 HA2 GLY A 48 -25.028 -9.259 -55.027 1.00 42.35 H new ATOM 0 HA3 GLY A 48 -23.673 -9.408 -56.128 1.00 42.35 H new ATOM 441 N LYS A 49 -22.358 -8.875 -53.367 1.00 31.12 N ATOM 442 CA LYS A 49 -21.523 -9.390 -52.288 1.00 44.52 C ATOM 443 C LYS A 49 -21.937 -8.793 -50.947 1.00 42.40 C ATOM 444 O LYS A 49 -22.156 -7.586 -50.835 1.00 74.42 O ATOM 445 CB LYS A 49 -20.050 -9.079 -52.564 1.00 3.42 C ATOM 446 CG LYS A 49 -19.469 -9.865 -53.726 1.00 71.22 C ATOM 447 CD LYS A 49 -19.145 -11.295 -53.326 1.00 3.44 C ATOM 448 CE LYS A 49 -17.752 -11.402 -52.725 1.00 23.55 C ATOM 449 NZ LYS A 49 -17.248 -12.804 -52.739 1.00 53.12 N1+ ATOM 0 H LYS A 49 -22.268 -7.872 -53.528 1.00 31.12 H new ATOM 0 HA LYS A 49 -21.658 -10.471 -52.241 1.00 44.52 H new ATOM 0 HB2 LYS A 49 -19.945 -8.014 -52.768 1.00 3.42 H new ATOM 0 HB3 LYS A 49 -19.469 -9.290 -51.667 1.00 3.42 H new ATOM 0 HG2 LYS A 49 -20.178 -9.870 -54.554 1.00 71.22 H new ATOM 0 HG3 LYS A 49 -18.565 -9.373 -54.084 1.00 71.22 H new ATOM 0 HD2 LYS A 49 -19.882 -11.648 -52.605 1.00 3.44 H new ATOM 0 HD3 LYS A 49 -19.217 -11.944 -54.199 1.00 3.44 H new ATOM 0 HE2 LYS A 49 -17.066 -10.764 -53.282 1.00 23.55 H new ATOM 0 HE3 LYS A 49 -17.769 -11.033 -51.700 1.00 23.55 H new ATOM 0 HZ1 LYS A 49 -16.296 -12.835 -52.321 1.00 53.12 H new ATOM 0 HZ2 LYS A 49 -17.889 -13.409 -52.186 1.00 53.12 H new ATOM 0 HZ3 LYS A 49 -17.207 -13.148 -53.719 1.00 53.12 H new ATOM 463 N ARG A 50 -22.040 -9.644 -49.932 1.00 71.31 N ATOM 464 CA ARG A 50 -22.428 -9.200 -48.599 1.00 24.24 C ATOM 465 C ARG A 50 -21.257 -8.527 -47.888 1.00 62.40 C ATOM 466 O ARG A 50 -20.188 -9.120 -47.732 1.00 15.34 O ATOM 467 CB ARG A 50 -22.929 -10.384 -47.769 1.00 51.13 C ATOM 468 CG ARG A 50 -22.037 -11.611 -47.858 1.00 62.20 C ATOM 469 CD ARG A 50 -22.597 -12.638 -48.830 1.00 42.11 C ATOM 470 NE ARG A 50 -24.056 -12.683 -48.798 1.00 31.10 N ATOM 471 CZ ARG A 50 -24.828 -12.173 -49.751 1.00 13.22 C ATOM 472 NH1 ARG A 50 -24.283 -11.582 -50.805 1.00 70.22 N1+ ATOM 473 NH2 ARG A 50 -26.149 -12.253 -49.650 1.00 60.12 N ATOM 0 H ARG A 50 -21.860 -10.645 -50.007 1.00 71.31 H new ATOM 0 HA ARG A 50 -23.233 -8.473 -48.706 1.00 24.24 H new ATOM 0 HB2 ARG A 50 -23.008 -10.078 -46.726 1.00 51.13 H new ATOM 0 HB3 ARG A 50 -23.933 -10.650 -48.100 1.00 51.13 H new ATOM 0 HG2 ARG A 50 -21.038 -11.314 -48.177 1.00 62.20 H new ATOM 0 HG3 ARG A 50 -21.936 -12.061 -46.870 1.00 62.20 H new ATOM 0 HD2 ARG A 50 -22.264 -12.400 -49.840 1.00 42.11 H new ATOM 0 HD3 ARG A 50 -22.199 -13.623 -48.586 1.00 42.11 H new ATOM 0 HE ARG A 50 -24.507 -13.131 -48.000 1.00 31.10 H new ATOM 0 HH11 ARG A 50 -23.268 -11.518 -50.886 1.00 70.22 H new ATOM 0 HH12 ARG A 50 -24.878 -11.191 -51.535 1.00 70.22 H new ATOM 0 HH21 ARG A 50 -26.572 -12.706 -48.840 1.00 60.12 H new ATOM 0 HH22 ARG A 50 -26.741 -11.861 -50.382 1.00 60.12 H new ATOM 487 N HIS A 51 -21.465 -7.286 -47.460 1.00 71.22 N ATOM 488 CA HIS A 51 -20.427 -6.532 -46.766 1.00 61.51 C ATOM 489 C HIS A 51 -20.650 -6.563 -45.257 1.00 55.32 C ATOM 490 O HIS A 51 -21.789 -6.565 -44.789 1.00 13.11 O ATOM 491 CB HIS A 51 -20.400 -5.086 -47.261 1.00 15.14 C ATOM 492 CG HIS A 51 -19.134 -4.361 -46.924 1.00 41.11 C ATOM 493 ND1 HIS A 51 -17.921 -4.998 -46.767 1.00 31.14 N ATOM 494 CD2 HIS A 51 -18.895 -3.045 -46.717 1.00 15.24 C ATOM 495 CE1 HIS A 51 -16.992 -4.105 -46.475 1.00 61.41 C ATOM 496 NE2 HIS A 51 -17.557 -2.912 -46.439 1.00 71.22 N ATOM 0 H HIS A 51 -22.343 -6.781 -47.582 1.00 71.22 H new ATOM 0 HA HIS A 51 -19.466 -6.999 -46.983 1.00 61.51 H new ATOM 0 HB2 HIS A 51 -20.536 -5.078 -48.342 1.00 15.14 H new ATOM 0 HB3 HIS A 51 -21.243 -4.547 -46.829 1.00 15.14 H new ATOM 0 HD2 HIS A 51 -19.622 -2.247 -46.762 1.00 15.24 H new ATOM 0 HE1 HIS A 51 -15.948 -4.315 -46.296 1.00 61.41 H new ATOM 0 HE2 HIS A 51 -17.078 -2.035 -46.237 1.00 71.22 H new ATOM 504 N ILE A 52 -19.557 -6.587 -44.502 1.00 52.24 N ATOM 505 CA ILE A 52 -19.635 -6.617 -43.047 1.00 42.32 C ATOM 506 C ILE A 52 -19.048 -5.347 -42.439 1.00 64.52 C ATOM 507 O ILE A 52 -18.120 -4.755 -42.990 1.00 4.21 O ATOM 508 CB ILE A 52 -18.897 -7.838 -42.469 1.00 65.40 C ATOM 509 CG1 ILE A 52 -19.426 -9.128 -43.101 1.00 2.52 C ATOM 510 CG2 ILE A 52 -19.049 -7.882 -40.956 1.00 30.30 C ATOM 511 CD1 ILE A 52 -20.848 -9.455 -42.704 1.00 54.13 C ATOM 0 H ILE A 52 -18.607 -6.586 -44.874 1.00 52.24 H new ATOM 0 HA ILE A 52 -20.692 -6.686 -42.789 1.00 42.32 H new ATOM 0 HB ILE A 52 -17.837 -7.748 -42.705 1.00 65.40 H new ATOM 0 HG12 ILE A 52 -19.371 -9.041 -44.186 1.00 2.52 H new ATOM 0 HG13 ILE A 52 -18.778 -9.956 -42.815 1.00 2.52 H new ATOM 0 HG21 ILE A 52 -18.522 -8.751 -40.562 1.00 30.30 H new ATOM 0 HG22 ILE A 52 -18.629 -6.975 -40.522 1.00 30.30 H new ATOM 0 HG23 ILE A 52 -20.106 -7.952 -40.698 1.00 30.30 H new ATOM 0 HD11 ILE A 52 -21.157 -10.381 -43.188 1.00 54.13 H new ATOM 0 HD12 ILE A 52 -20.905 -9.575 -41.622 1.00 54.13 H new ATOM 0 HD13 ILE A 52 -21.508 -8.645 -43.015 1.00 54.13 H new ATOM 523 N ASP A 53 -19.593 -4.937 -41.300 1.00 14.32 N ATOM 524 CA ASP A 53 -19.122 -3.739 -40.614 1.00 60.03 C ATOM 525 C ASP A 53 -18.189 -4.103 -39.464 1.00 30.24 C ATOM 526 O ASP A 53 -18.164 -5.246 -39.009 1.00 15.02 O ATOM 527 CB ASP A 53 -20.307 -2.926 -40.089 1.00 64.53 C ATOM 528 CG ASP A 53 -20.420 -1.570 -40.757 1.00 60.33 C ATOM 529 OD1 ASP A 53 -20.330 -1.512 -42.002 1.00 5.03 O ATOM 530 OD2 ASP A 53 -20.600 -0.567 -40.036 1.00 20.22 O ATOM 0 H ASP A 53 -20.362 -5.416 -40.831 1.00 14.32 H new ATOM 0 HA ASP A 53 -18.567 -3.134 -41.331 1.00 60.03 H new ATOM 0 HB2 ASP A 53 -21.228 -3.486 -40.251 1.00 64.53 H new ATOM 0 HB3 ASP A 53 -20.202 -2.790 -39.013 1.00 64.53 H new ATOM 535 N GLY A 54 -17.421 -3.123 -38.998 1.00 11.42 N ATOM 536 CA GLY A 54 -16.496 -3.360 -37.905 1.00 70.32 C ATOM 537 C GLY A 54 -16.974 -2.756 -36.599 1.00 63.54 C ATOM 538 O GLY A 54 -17.835 -1.876 -36.592 1.00 23.21 O ATOM 0 H GLY A 54 -17.423 -2.169 -39.358 1.00 11.42 H new ATOM 0 HA2 GLY A 54 -16.358 -4.434 -37.776 1.00 70.32 H new ATOM 0 HA3 GLY A 54 -15.522 -2.942 -38.160 1.00 70.32 H new ATOM 542 N CYS A 55 -16.415 -3.231 -35.491 1.00 14.11 N ATOM 543 CA CYS A 55 -16.790 -2.734 -34.172 1.00 72.44 C ATOM 544 C CYS A 55 -15.567 -2.613 -33.269 1.00 5.12 C ATOM 545 O CYS A 55 -14.576 -3.327 -33.424 1.00 44.24 O ATOM 546 CB CYS A 55 -17.822 -3.663 -33.529 1.00 55.34 C ATOM 547 SG CYS A 55 -19.427 -2.869 -33.190 1.00 23.10 S ATOM 0 H CYS A 55 -15.701 -3.959 -35.480 1.00 14.11 H new ATOM 0 HA CYS A 55 -17.229 -1.744 -34.295 1.00 72.44 H new ATOM 0 HB2 CYS A 55 -17.983 -4.519 -34.185 1.00 55.34 H new ATOM 0 HB3 CYS A 55 -17.415 -4.049 -32.595 1.00 55.34 H new ATOM 552 N PRO A 56 -15.636 -1.687 -32.301 1.00 23.24 N ATOM 553 CA PRO A 56 -14.543 -1.450 -31.352 1.00 72.53 C ATOM 554 C PRO A 56 -14.367 -2.605 -30.371 1.00 43.44 C ATOM 555 O PRO A 56 -15.143 -3.560 -30.353 1.00 53.22 O ATOM 556 CB PRO A 56 -14.983 -0.184 -30.614 1.00 2.31 C ATOM 557 CG PRO A 56 -16.468 -0.176 -30.727 1.00 12.35 C ATOM 558 CD PRO A 56 -16.786 -0.801 -32.057 1.00 10.23 C ATOM 0 HA PRO A 56 -13.580 -1.354 -31.854 1.00 72.53 H new ATOM 0 HB2 PRO A 56 -14.666 -0.203 -29.571 1.00 2.31 H new ATOM 0 HB3 PRO A 56 -14.547 0.708 -31.064 1.00 2.31 H new ATOM 0 HG2 PRO A 56 -16.924 -0.739 -29.913 1.00 12.35 H new ATOM 0 HG3 PRO A 56 -16.858 0.840 -30.670 1.00 12.35 H new ATOM 0 HD2 PRO A 56 -17.723 -1.358 -32.026 1.00 10.23 H new ATOM 0 HD3 PRO A 56 -16.888 -0.050 -32.840 1.00 10.23 H new ATOM 566 N PRO A 57 -13.322 -2.517 -29.535 1.00 43.21 N ATOM 567 CA PRO A 57 -13.020 -3.545 -28.535 1.00 22.20 C ATOM 568 C PRO A 57 -14.045 -3.576 -27.407 1.00 13.30 C ATOM 569 O PRO A 57 -14.516 -2.533 -26.954 1.00 64.00 O ATOM 570 CB PRO A 57 -11.648 -3.127 -27.999 1.00 71.24 C ATOM 571 CG PRO A 57 -11.580 -1.658 -28.237 1.00 34.03 C ATOM 572 CD PRO A 57 -12.355 -1.407 -29.501 1.00 1.31 C ATOM 0 HA PRO A 57 -13.039 -4.547 -28.963 1.00 22.20 H new ATOM 0 HB2 PRO A 57 -11.549 -3.361 -26.939 1.00 71.24 H new ATOM 0 HB3 PRO A 57 -10.844 -3.650 -28.518 1.00 71.24 H new ATOM 0 HG2 PRO A 57 -12.009 -1.107 -27.400 1.00 34.03 H new ATOM 0 HG3 PRO A 57 -10.547 -1.327 -28.341 1.00 34.03 H new ATOM 0 HD2 PRO A 57 -12.855 -0.439 -29.480 1.00 1.31 H new ATOM 0 HD3 PRO A 57 -11.707 -1.412 -30.377 1.00 1.31 H new ATOM 580 N GLY A 58 -14.388 -4.779 -26.957 1.00 21.11 N ATOM 581 CA GLY A 58 -15.356 -4.922 -25.885 1.00 23.40 C ATOM 582 C GLY A 58 -16.757 -5.183 -26.400 1.00 52.32 C ATOM 583 O GLY A 58 -17.648 -5.556 -25.637 1.00 12.15 O ATOM 0 H GLY A 58 -14.013 -5.657 -27.316 1.00 21.11 H new ATOM 0 HA2 GLY A 58 -15.053 -5.742 -25.233 1.00 23.40 H new ATOM 0 HA3 GLY A 58 -15.358 -4.016 -25.278 1.00 23.40 H new ATOM 587 N CYS A 59 -16.955 -4.984 -27.699 1.00 62.21 N ATOM 588 CA CYS A 59 -18.258 -5.198 -28.316 1.00 53.53 C ATOM 589 C CYS A 59 -18.115 -5.466 -29.812 1.00 23.25 C ATOM 590 O CYS A 59 -17.263 -4.879 -30.480 1.00 52.23 O ATOM 591 CB CYS A 59 -19.158 -3.981 -28.090 1.00 34.34 C ATOM 592 SG CYS A 59 -18.285 -2.385 -28.170 1.00 51.44 S ATOM 0 H CYS A 59 -16.229 -4.675 -28.345 1.00 62.21 H new ATOM 0 HA CYS A 59 -18.713 -6.072 -27.850 1.00 53.53 H new ATOM 0 HB2 CYS A 59 -19.952 -3.986 -28.837 1.00 34.34 H new ATOM 0 HB3 CYS A 59 -19.637 -4.073 -27.115 1.00 34.34 H new ATOM 0 HG CYS A 59 -17.506 -2.264 -27.136 1.00 51.44 H new ATOM 597 N LEU A 60 -18.953 -6.357 -30.330 1.00 1.02 N ATOM 598 CA LEU A 60 -18.921 -6.704 -31.746 1.00 64.14 C ATOM 599 C LEU A 60 -20.315 -6.625 -32.358 1.00 55.24 C ATOM 600 O LEU A 60 -21.315 -6.886 -31.688 1.00 50.42 O ATOM 601 CB LEU A 60 -18.348 -8.110 -31.934 1.00 70.13 C ATOM 602 CG LEU A 60 -19.310 -9.157 -32.496 1.00 35.34 C ATOM 603 CD1 LEU A 60 -18.552 -10.404 -32.925 1.00 11.42 C ATOM 604 CD2 LEU A 60 -20.377 -9.507 -31.468 1.00 23.03 C ATOM 0 H LEU A 60 -19.663 -6.852 -29.790 1.00 1.02 H new ATOM 0 HA LEU A 60 -18.279 -5.985 -32.256 1.00 64.14 H new ATOM 0 HB2 LEU A 60 -17.486 -8.044 -32.598 1.00 70.13 H new ATOM 0 HB3 LEU A 60 -17.981 -8.463 -30.970 1.00 70.13 H new ATOM 0 HG LEU A 60 -19.802 -8.736 -33.373 1.00 35.34 H new ATOM 0 HD11 LEU A 60 -19.254 -11.138 -33.322 1.00 11.42 H new ATOM 0 HD12 LEU A 60 -17.826 -10.142 -33.695 1.00 11.42 H new ATOM 0 HD13 LEU A 60 -18.032 -10.827 -32.066 1.00 11.42 H new ATOM 0 HD21 LEU A 60 -21.053 -10.254 -31.885 1.00 23.03 H new ATOM 0 HD22 LEU A 60 -19.902 -9.908 -30.572 1.00 23.03 H new ATOM 0 HD23 LEU A 60 -20.941 -8.611 -31.210 1.00 23.03 H new ATOM 616 N CYS A 61 -20.376 -6.265 -33.636 1.00 63.02 N ATOM 617 CA CYS A 61 -21.647 -6.153 -34.340 1.00 53.14 C ATOM 618 C CYS A 61 -21.605 -6.911 -35.664 1.00 44.12 C ATOM 619 O CYS A 61 -20.887 -6.529 -36.588 1.00 44.42 O ATOM 620 CB CYS A 61 -21.987 -4.683 -34.593 1.00 5.42 C ATOM 621 SG CYS A 61 -23.168 -4.415 -35.953 1.00 73.01 S ATOM 0 H CYS A 61 -19.559 -6.046 -34.205 1.00 63.02 H new ATOM 0 HA CYS A 61 -22.421 -6.595 -33.712 1.00 53.14 H new ATOM 0 HB2 CYS A 61 -22.398 -4.254 -33.679 1.00 5.42 H new ATOM 0 HB3 CYS A 61 -21.067 -4.141 -34.813 1.00 5.42 H new ATOM 626 N VAL A 62 -22.379 -7.988 -35.748 1.00 52.03 N ATOM 627 CA VAL A 62 -22.432 -8.799 -36.959 1.00 25.35 C ATOM 628 C VAL A 62 -23.851 -8.872 -37.510 1.00 62.33 C ATOM 629 O VAL A 62 -24.741 -9.456 -36.890 1.00 64.42 O ATOM 630 CB VAL A 62 -21.919 -10.229 -36.699 1.00 14.53 C ATOM 631 CG1 VAL A 62 -22.642 -10.848 -35.512 1.00 55.42 C ATOM 632 CG2 VAL A 62 -22.086 -11.088 -37.943 1.00 21.13 C ATOM 0 H VAL A 62 -22.978 -8.319 -34.992 1.00 52.03 H new ATOM 0 HA VAL A 62 -21.786 -8.316 -37.692 1.00 25.35 H new ATOM 0 HB VAL A 62 -20.857 -10.178 -36.460 1.00 14.53 H new ATOM 0 HG11 VAL A 62 -22.267 -11.857 -35.343 1.00 55.42 H new ATOM 0 HG12 VAL A 62 -22.466 -10.242 -34.623 1.00 55.42 H new ATOM 0 HG13 VAL A 62 -23.712 -10.888 -35.718 1.00 55.42 H new ATOM 0 HG21 VAL A 62 -21.719 -12.094 -37.742 1.00 21.13 H new ATOM 0 HG22 VAL A 62 -23.141 -11.134 -38.215 1.00 21.13 H new ATOM 0 HG23 VAL A 62 -21.518 -10.652 -38.765 1.00 21.13 H new ATOM 642 N LEU A 63 -24.056 -8.276 -38.680 1.00 33.35 N ATOM 643 CA LEU A 63 -25.369 -8.274 -39.317 1.00 4.22 C ATOM 644 C LEU A 63 -25.293 -8.861 -40.722 1.00 65.34 C ATOM 645 O LEU A 63 -24.533 -8.385 -41.566 1.00 62.01 O ATOM 646 CB LEU A 63 -25.926 -6.850 -39.376 1.00 62.42 C ATOM 647 CG LEU A 63 -25.406 -5.973 -40.516 1.00 20.13 C ATOM 648 CD1 LEU A 63 -26.132 -4.637 -40.534 1.00 41.14 C ATOM 649 CD2 LEU A 63 -23.904 -5.765 -40.386 1.00 12.42 C ATOM 0 H LEU A 63 -23.331 -7.789 -39.206 1.00 33.35 H new ATOM 0 HA LEU A 63 -26.037 -8.895 -38.720 1.00 4.22 H new ATOM 0 HB2 LEU A 63 -27.012 -6.909 -39.456 1.00 62.42 H new ATOM 0 HB3 LEU A 63 -25.702 -6.354 -38.432 1.00 62.42 H new ATOM 0 HG LEU A 63 -25.601 -6.482 -41.460 1.00 20.13 H new ATOM 0 HD11 LEU A 63 -25.749 -4.026 -41.351 1.00 41.14 H new ATOM 0 HD12 LEU A 63 -27.200 -4.805 -40.676 1.00 41.14 H new ATOM 0 HD13 LEU A 63 -25.968 -4.121 -39.588 1.00 41.14 H new ATOM 0 HD21 LEU A 63 -23.551 -5.139 -41.205 1.00 12.42 H new ATOM 0 HD22 LEU A 63 -23.685 -5.277 -39.436 1.00 12.42 H new ATOM 0 HD23 LEU A 63 -23.398 -6.730 -40.423 1.00 12.42 H new ATOM 661 N LYS A 64 -26.086 -9.898 -40.968 1.00 54.04 N ATOM 662 CA LYS A 64 -26.113 -10.550 -42.273 1.00 2.54 C ATOM 663 C LYS A 64 -27.347 -10.131 -43.065 1.00 34.52 C ATOM 664 O LYS A 64 -28.468 -10.184 -42.560 1.00 30.21 O ATOM 665 CB LYS A 64 -26.091 -12.071 -42.106 1.00 55.31 C ATOM 666 CG LYS A 64 -24.715 -12.629 -41.789 1.00 1.41 C ATOM 667 CD LYS A 64 -24.600 -14.090 -42.188 1.00 61.14 C ATOM 668 CE LYS A 64 -24.398 -14.244 -43.688 1.00 41.31 C ATOM 669 NZ LYS A 64 -23.478 -15.369 -44.011 1.00 61.24 N1+ ATOM 0 H LYS A 64 -26.719 -10.306 -40.280 1.00 54.04 H new ATOM 0 HA LYS A 64 -25.227 -10.239 -42.826 1.00 2.54 H new ATOM 0 HB2 LYS A 64 -26.779 -12.350 -41.308 1.00 55.31 H new ATOM 0 HB3 LYS A 64 -26.459 -12.534 -43.022 1.00 55.31 H new ATOM 0 HG2 LYS A 64 -23.956 -12.047 -42.312 1.00 1.41 H new ATOM 0 HG3 LYS A 64 -24.516 -12.526 -40.722 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -23.765 -14.548 -41.658 1.00 61.14 H new ATOM 0 HD3 LYS A 64 -25.501 -14.623 -41.884 1.00 61.14 H new ATOM 0 HE2 LYS A 64 -25.362 -14.413 -44.169 1.00 41.31 H new ATOM 0 HE3 LYS A 64 -23.996 -13.317 -44.097 1.00 41.31 H new ATOM 0 HZ1 LYS A 64 -23.366 -15.441 -45.042 1.00 61.24 H new ATOM 0 HZ2 LYS A 64 -22.551 -15.196 -43.574 1.00 61.24 H new ATOM 0 HZ3 LYS A 64 -23.874 -16.258 -43.643 1.00 61.24 H new ATOM 683 N GLY A 65 -27.134 -9.717 -44.310 1.00 61.21 N ATOM 684 CA GLY A 65 -28.239 -9.298 -45.152 1.00 41.21 C ATOM 685 C GLY A 65 -28.166 -9.893 -46.544 1.00 45.12 C ATOM 686 O GLY A 65 -27.251 -9.607 -47.317 1.00 61.23 O ATOM 0 H GLY A 65 -26.216 -9.664 -44.751 1.00 61.21 H new ATOM 0 HA2 GLY A 65 -29.179 -9.590 -44.684 1.00 41.21 H new ATOM 0 HA3 GLY A 65 -28.244 -8.210 -45.225 1.00 41.21 H new ATOM 690 N PRO A 66 -29.147 -10.743 -46.881 1.00 25.51 N ATOM 691 CA PRO A 66 -29.211 -11.399 -48.190 1.00 61.24 C ATOM 692 C PRO A 66 -29.540 -10.421 -49.313 1.00 32.21 C ATOM 693 O PRO A 66 -29.371 -9.211 -49.164 1.00 13.20 O ATOM 694 CB PRO A 66 -30.340 -12.419 -48.021 1.00 40.12 C ATOM 695 CG PRO A 66 -31.198 -11.858 -46.940 1.00 53.05 C ATOM 696 CD PRO A 66 -30.269 -11.130 -46.009 1.00 43.03 C ATOM 0 HA PRO A 66 -28.256 -11.843 -48.471 1.00 61.24 H new ATOM 0 HB2 PRO A 66 -30.901 -12.545 -48.947 1.00 40.12 H new ATOM 0 HB3 PRO A 66 -29.950 -13.400 -47.748 1.00 40.12 H new ATOM 0 HG2 PRO A 66 -31.949 -11.182 -47.349 1.00 53.05 H new ATOM 0 HG3 PRO A 66 -31.733 -12.650 -46.416 1.00 53.05 H new ATOM 0 HD2 PRO A 66 -30.749 -10.260 -45.562 1.00 43.03 H new ATOM 0 HD3 PRO A 66 -29.939 -11.769 -45.190 1.00 43.03 H new ATOM 704 N ASP A 67 -30.011 -10.953 -50.435 1.00 71.14 N ATOM 705 CA ASP A 67 -30.366 -10.126 -51.583 1.00 62.43 C ATOM 706 C ASP A 67 -31.331 -9.018 -51.177 1.00 14.33 C ATOM 707 O ASP A 67 -31.432 -7.991 -51.849 1.00 20.24 O ATOM 708 CB ASP A 67 -30.990 -10.985 -52.684 1.00 32.41 C ATOM 709 CG ASP A 67 -30.980 -10.294 -54.033 1.00 71.54 C ATOM 710 OD1 ASP A 67 -30.058 -9.489 -54.281 1.00 62.53 O ATOM 711 OD2 ASP A 67 -31.894 -10.559 -54.842 1.00 21.41 O ATOM 0 H ASP A 67 -30.156 -11.953 -50.575 1.00 71.14 H new ATOM 0 HA ASP A 67 -29.454 -9.667 -51.964 1.00 62.43 H new ATOM 0 HB2 ASP A 67 -30.447 -11.927 -52.758 1.00 32.41 H new ATOM 0 HB3 ASP A 67 -32.017 -11.230 -52.412 1.00 32.41 H new ATOM 716 N SER A 68 -32.041 -9.233 -50.073 1.00 43.33 N ATOM 717 CA SER A 68 -33.002 -8.254 -49.580 1.00 12.23 C ATOM 718 C SER A 68 -32.328 -7.254 -48.645 1.00 54.21 C ATOM 719 O SER A 68 -32.993 -6.563 -47.873 1.00 4.45 O ATOM 720 CB SER A 68 -34.149 -8.957 -48.851 1.00 54.25 C ATOM 721 OG SER A 68 -35.343 -8.197 -48.927 1.00 52.02 O ATOM 0 H SER A 68 -31.968 -10.076 -49.504 1.00 43.33 H new ATOM 0 HA SER A 68 -33.403 -7.712 -50.436 1.00 12.23 H new ATOM 0 HB2 SER A 68 -34.313 -9.942 -49.288 1.00 54.25 H new ATOM 0 HB3 SER A 68 -33.879 -9.113 -47.806 1.00 54.25 H new ATOM 0 HG SER A 68 -36.061 -8.668 -48.455 1.00 52.02 H new ATOM 727 N LYS A 69 -31.004 -7.182 -48.721 1.00 62.51 N ATOM 728 CA LYS A 69 -30.237 -6.267 -47.884 1.00 71.22 C ATOM 729 C LYS A 69 -30.770 -4.843 -48.006 1.00 65.00 C ATOM 730 O LYS A 69 -31.452 -4.506 -48.974 1.00 21.03 O ATOM 731 CB LYS A 69 -28.758 -6.305 -48.274 1.00 4.01 C ATOM 732 CG LYS A 69 -28.488 -5.815 -49.686 1.00 1.40 C ATOM 733 CD LYS A 69 -28.463 -6.964 -50.680 1.00 4.40 C ATOM 734 CE LYS A 69 -27.779 -6.562 -51.978 1.00 74.53 C ATOM 735 NZ LYS A 69 -27.954 -7.593 -53.039 1.00 32.44 N1+ ATOM 0 H LYS A 69 -30.439 -7.747 -49.355 1.00 62.51 H new ATOM 0 HA LYS A 69 -30.341 -6.588 -46.847 1.00 71.22 H new ATOM 0 HB2 LYS A 69 -28.190 -5.695 -47.572 1.00 4.01 H new ATOM 0 HB3 LYS A 69 -28.392 -7.327 -48.177 1.00 4.01 H new ATOM 0 HG2 LYS A 69 -29.256 -5.098 -49.976 1.00 1.40 H new ATOM 0 HG3 LYS A 69 -27.534 -5.288 -49.713 1.00 1.40 H new ATOM 0 HD2 LYS A 69 -27.942 -7.815 -50.241 1.00 4.40 H new ATOM 0 HD3 LYS A 69 -29.483 -7.288 -50.890 1.00 4.40 H new ATOM 0 HE2 LYS A 69 -28.186 -5.612 -52.324 1.00 74.53 H new ATOM 0 HE3 LYS A 69 -26.716 -6.406 -51.795 1.00 74.53 H new ATOM 0 HZ1 LYS A 69 -27.672 -7.197 -53.958 1.00 32.44 H new ATOM 0 HZ2 LYS A 69 -27.361 -8.419 -52.822 1.00 32.44 H new ATOM 0 HZ3 LYS A 69 -28.952 -7.884 -53.079 1.00 32.44 H new ATOM 749 N ASP A 70 -30.452 -4.011 -47.020 1.00 32.40 N ATOM 750 CA ASP A 70 -30.897 -2.622 -47.018 1.00 64.43 C ATOM 751 C ASP A 70 -29.895 -1.732 -46.290 1.00 22.23 C ATOM 752 O ASP A 70 -28.817 -2.182 -45.902 1.00 15.12 O ATOM 753 CB ASP A 70 -32.273 -2.506 -46.362 1.00 11.13 C ATOM 754 CG ASP A 70 -33.292 -3.442 -46.982 1.00 44.23 C ATOM 755 OD1 ASP A 70 -33.771 -3.142 -48.096 1.00 30.24 O ATOM 756 OD2 ASP A 70 -33.610 -4.473 -46.354 1.00 71.43 O ATOM 0 H ASP A 70 -29.888 -4.274 -46.212 1.00 32.40 H new ATOM 0 HA ASP A 70 -30.968 -2.287 -48.053 1.00 64.43 H new ATOM 0 HB2 ASP A 70 -32.184 -2.724 -45.298 1.00 11.13 H new ATOM 0 HB3 ASP A 70 -32.628 -1.479 -46.448 1.00 11.13 H new ATOM 761 N ASN A 71 -30.258 -0.467 -46.108 1.00 41.44 N ATOM 762 CA ASN A 71 -29.390 0.488 -45.428 1.00 20.41 C ATOM 763 C ASN A 71 -29.531 0.367 -43.914 1.00 1.25 C ATOM 764 O ASN A 71 -29.032 1.208 -43.164 1.00 33.33 O ATOM 765 CB ASN A 71 -29.720 1.915 -45.870 1.00 72.42 C ATOM 766 CG ASN A 71 -30.128 1.988 -47.329 1.00 31.01 C ATOM 767 OD1 ASN A 71 -31.216 1.550 -47.703 1.00 52.45 O ATOM 768 ND2 ASN A 71 -29.254 2.543 -48.160 1.00 50.13 N ATOM 0 H ASN A 71 -31.148 -0.079 -46.422 1.00 41.44 H new ATOM 0 HA ASN A 71 -28.359 0.261 -45.699 1.00 20.41 H new ATOM 0 HB2 ASN A 71 -30.526 2.307 -45.250 1.00 72.42 H new ATOM 0 HB3 ASN A 71 -28.852 2.553 -45.706 1.00 72.42 H new ATOM 0 HD21 ASN A 71 -29.473 2.620 -49.153 1.00 50.13 H new ATOM 0 HD22 ASN A 71 -28.364 2.893 -47.805 1.00 50.13 H new ATOM 775 N LEU A 72 -30.213 -0.683 -43.470 1.00 64.21 N ATOM 776 CA LEU A 72 -30.419 -0.915 -42.045 1.00 31.22 C ATOM 777 C LEU A 72 -29.095 -0.874 -41.289 1.00 1.42 C ATOM 778 O LEU A 72 -28.024 -0.988 -41.886 1.00 12.44 O ATOM 779 CB LEU A 72 -31.105 -2.264 -41.822 1.00 23.35 C ATOM 780 CG LEU A 72 -32.459 -2.450 -42.506 1.00 71.34 C ATOM 781 CD1 LEU A 72 -32.721 -3.923 -42.780 1.00 32.12 C ATOM 782 CD2 LEU A 72 -33.573 -1.858 -41.655 1.00 41.55 C ATOM 0 H LEU A 72 -30.633 -1.387 -44.077 1.00 64.21 H new ATOM 0 HA LEU A 72 -31.059 -0.121 -41.662 1.00 31.22 H new ATOM 0 HB2 LEU A 72 -30.435 -3.051 -42.168 1.00 23.35 H new ATOM 0 HB3 LEU A 72 -31.239 -2.408 -40.750 1.00 23.35 H new ATOM 0 HG LEU A 72 -32.438 -1.922 -43.459 1.00 71.34 H new ATOM 0 HD11 LEU A 72 -33.689 -4.036 -43.267 1.00 32.12 H new ATOM 0 HD12 LEU A 72 -31.940 -4.317 -43.430 1.00 32.12 H new ATOM 0 HD13 LEU A 72 -32.722 -4.474 -41.839 1.00 32.12 H new ATOM 0 HD21 LEU A 72 -34.530 -2.000 -42.158 1.00 41.55 H new ATOM 0 HD22 LEU A 72 -33.595 -2.357 -40.686 1.00 41.55 H new ATOM 0 HD23 LEU A 72 -33.393 -0.793 -41.510 1.00 41.55 H new ATOM 794 N ASP A 73 -29.176 -0.712 -39.973 1.00 1.42 N ATOM 795 CA ASP A 73 -27.984 -0.658 -39.134 1.00 70.52 C ATOM 796 C ASP A 73 -27.829 -1.944 -38.328 1.00 61.43 C ATOM 797 O ASP A 73 -28.810 -2.624 -38.030 1.00 21.04 O ATOM 798 CB ASP A 73 -28.051 0.544 -38.191 1.00 40.04 C ATOM 799 CG ASP A 73 -29.451 0.788 -37.663 1.00 22.13 C ATOM 800 OD1 ASP A 73 -30.253 1.421 -38.380 1.00 34.22 O ATOM 801 OD2 ASP A 73 -29.743 0.347 -36.531 1.00 73.24 O ATOM 0 H ASP A 73 -30.055 -0.616 -39.464 1.00 1.42 H new ATOM 0 HA ASP A 73 -27.116 -0.551 -39.785 1.00 70.52 H new ATOM 0 HB2 ASP A 73 -27.373 0.383 -37.353 1.00 40.04 H new ATOM 0 HB3 ASP A 73 -27.704 1.434 -38.716 1.00 40.04 H new ATOM 806 N GLY A 74 -26.588 -2.273 -37.980 1.00 53.20 N ATOM 807 CA GLY A 74 -26.327 -3.477 -37.213 1.00 52.22 C ATOM 808 C GLY A 74 -26.374 -3.233 -35.718 1.00 31.42 C ATOM 809 O GLY A 74 -26.420 -2.088 -35.268 1.00 44.20 O ATOM 0 H GLY A 74 -25.759 -1.727 -38.216 1.00 53.20 H new ATOM 0 HA2 GLY A 74 -27.061 -4.239 -37.477 1.00 52.22 H new ATOM 0 HA3 GLY A 74 -25.347 -3.871 -37.483 1.00 52.22 H new ATOM 813 N THR A 75 -26.365 -4.314 -34.943 1.00 42.12 N ATOM 814 CA THR A 75 -26.410 -4.213 -33.490 1.00 4.10 C ATOM 815 C THR A 75 -25.092 -4.660 -32.867 1.00 33.41 C ATOM 816 O THR A 75 -24.404 -5.530 -33.403 1.00 2.54 O ATOM 817 CB THR A 75 -27.555 -5.059 -32.903 1.00 55.41 C ATOM 818 OG1 THR A 75 -28.639 -5.130 -33.836 1.00 53.22 O ATOM 819 CG2 THR A 75 -28.047 -4.467 -31.591 1.00 34.02 C ATOM 0 H THR A 75 -26.327 -5.269 -35.298 1.00 42.12 H new ATOM 0 HA THR A 75 -26.585 -3.164 -33.251 1.00 4.10 H new ATOM 0 HB THR A 75 -27.175 -6.062 -32.711 1.00 55.41 H new ATOM 0 HG1 THR A 75 -29.363 -5.671 -33.456 1.00 53.22 H new ATOM 0 HG21 THR A 75 -28.856 -5.081 -31.195 1.00 34.02 H new ATOM 0 HG22 THR A 75 -27.227 -4.441 -30.874 1.00 34.02 H new ATOM 0 HG23 THR A 75 -28.412 -3.454 -31.763 1.00 34.02 H new ATOM 827 N CYS A 76 -24.747 -4.062 -31.732 1.00 23.32 N ATOM 828 CA CYS A 76 -23.512 -4.399 -31.035 1.00 25.25 C ATOM 829 C CYS A 76 -23.804 -4.916 -29.629 1.00 21.11 C ATOM 830 O CYS A 76 -24.714 -4.433 -28.955 1.00 51.21 O ATOM 831 CB CYS A 76 -22.594 -3.177 -30.960 1.00 21.23 C ATOM 832 SG CYS A 76 -20.902 -3.480 -31.562 1.00 25.33 S ATOM 0 H CYS A 76 -25.306 -3.341 -31.275 1.00 23.32 H new ATOM 0 HA CYS A 76 -23.011 -5.188 -31.597 1.00 25.25 H new ATOM 0 HB2 CYS A 76 -23.036 -2.368 -31.542 1.00 21.23 H new ATOM 0 HB3 CYS A 76 -22.545 -2.836 -29.926 1.00 21.23 H new ATOM 837 N TYR A 77 -23.026 -5.901 -29.193 1.00 51.22 N ATOM 838 CA TYR A 77 -23.202 -6.485 -27.869 1.00 73.21 C ATOM 839 C TYR A 77 -22.035 -6.126 -26.955 1.00 64.02 C ATOM 840 O TYR A 77 -20.872 -6.200 -27.355 1.00 61.51 O ATOM 841 CB TYR A 77 -23.334 -8.006 -27.973 1.00 51.50 C ATOM 842 CG TYR A 77 -24.231 -8.460 -29.103 1.00 2.34 C ATOM 843 CD1 TYR A 77 -23.739 -8.594 -30.395 1.00 54.22 C ATOM 844 CD2 TYR A 77 -25.569 -8.756 -28.877 1.00 15.13 C ATOM 845 CE1 TYR A 77 -24.555 -9.008 -31.430 1.00 54.32 C ATOM 846 CE2 TYR A 77 -26.392 -9.172 -29.905 1.00 55.14 C ATOM 847 CZ TYR A 77 -25.881 -9.296 -31.180 1.00 41.33 C ATOM 848 OH TYR A 77 -26.697 -9.710 -32.208 1.00 44.34 O ATOM 0 H TYR A 77 -22.267 -6.311 -29.738 1.00 51.22 H new ATOM 0 HA TYR A 77 -24.116 -6.076 -27.438 1.00 73.21 H new ATOM 0 HB2 TYR A 77 -22.343 -8.440 -28.110 1.00 51.50 H new ATOM 0 HB3 TYR A 77 -23.725 -8.394 -27.032 1.00 51.50 H new ATOM 0 HD1 TYR A 77 -22.701 -8.371 -30.594 1.00 54.22 H new ATOM 0 HD2 TYR A 77 -25.973 -8.659 -27.880 1.00 15.13 H new ATOM 0 HE1 TYR A 77 -24.157 -9.106 -32.429 1.00 54.32 H new ATOM 0 HE2 TYR A 77 -27.430 -9.399 -29.712 1.00 55.14 H new ATOM 0 HH TYR A 77 -27.600 -9.873 -31.864 1.00 44.34 H new