USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 662 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 127 CYS SG : rot 163:sc= -0.239 USER MOD Set 1.2: A 133 ASN : amide:sc= -3.47! C(o=-3.7!,f=-9.5!) USER MOD Set 2.1: A 100 HIS : no HE2:sc= -11.3! C(o=-11!,f=-16!) USER MOD Set 2.2: A 123 CYS SG : rot 22:sc= -0.162 USER MOD Set 2.3: A 151 LYS NZ :NH3+ -179:sc= 0.796! (180deg=1.11) USER MOD Set 3.1: A 85 HIS : no HE2:sc= 0.263 K(o=0.13,f=-7.1!) USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= -0.13 USER MOD Set 4.1: A 75 HIS : no HD1:sc= -3.81 K(o=-5.5,f=-6.5!) USER MOD Set 4.2: A 112 CYS SG : rot 127:sc= -1.74 USER MOD Set 5.1: A 17 HIS : no HD1:sc= -15! C(o=-18!,f=-27!) USER MOD Set 5.2: A 29 CYS SG : rot -75:sc= -3.25 USER MOD Single : A 18 CYS SG : rot 140:sc= -1.11 USER MOD Single : A 21 ASN :FLIP amide:sc= -12.2! C(o=-13!,f=-12!) USER MOD Single : A 24 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.1) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 55:sc= -0.0795 USER MOD Single : A 28 ASN :FLIP amide:sc= -2.14! C(o=-4.4!,f=-2.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 50 CYS SG : rot -167:sc= 0.202 USER MOD Single : A 53 ASN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.468 F(o=-4.5!,f=0.47) USER MOD Single : A 65 CYS SG : rot -147:sc= 0.987 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0892 F(o=-0.73,f=-0.089) USER MOD Single : A 69 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-1.7) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -3.72 X(o=-3.7,f=-4.2) USER MOD Single : A 73 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0.0587 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.51) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.586 USER MOD Single : A 87 SER OG : rot 70:sc= 0.813 USER MOD Single : A 88 CYS SG : rot 81:sc= 0.675 USER MOD Single : A 99 THR OG1 : rot -46:sc= 0.995 USER MOD Single : A 104 THR OG1 : rot -32:sc= -0.94 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.904 (180deg=0.781) USER MOD Single : A 125 CYS SG : rot -160:sc= -0.688 USER MOD Single : A 128 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 HIS : no HD1:sc= -1 K(o=-1,f=-2) USER MOD Single : A 164 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 3.240 -7.158 4.538 1.00 24.02 N ATOM 217 CA HIS A 17 3.381 -6.650 5.898 1.00 2.41 C ATOM 218 C HIS A 17 2.353 -7.289 6.826 1.00 30.03 C ATOM 219 O HIS A 17 1.607 -8.182 6.421 1.00 5.14 O ATOM 220 CB HIS A 17 3.225 -5.129 5.915 1.00 12.32 C ATOM 221 CG HIS A 17 1.991 -4.661 6.624 1.00 74.55 C ATOM 222 ND1 HIS A 17 1.941 -4.444 7.984 1.00 13.12 N ATOM 223 CD2 HIS A 17 0.756 -4.368 6.152 1.00 63.34 C ATOM 224 CE1 HIS A 17 0.729 -4.039 8.319 1.00 54.21 C ATOM 225 NE2 HIS A 17 -0.009 -3.984 7.225 1.00 73.22 N ATOM 0 HA HIS A 17 4.378 -6.910 6.255 1.00 2.41 H new ATOM 0 HB2 HIS A 17 4.099 -4.688 6.394 1.00 12.32 H new ATOM 0 HB3 HIS A 17 3.205 -4.763 4.889 1.00 12.32 H new ATOM 0 HD2 HIS A 17 0.433 -4.426 5.123 1.00 63.34 H new ATOM 0 HE1 HIS A 17 0.398 -3.794 9.318 1.00 54.21 H new ATOM 0 HE2 HIS A 17 -0.988 -3.702 7.184 1.00 73.22 H new ATOM 233 N CYS A 18 2.319 -6.827 8.071 1.00 23.33 N ATOM 234 CA CYS A 18 1.383 -7.355 9.058 1.00 65.53 C ATOM 235 C CYS A 18 1.571 -6.670 10.407 1.00 3.11 C ATOM 236 O CYS A 18 2.531 -6.946 11.127 1.00 61.32 O ATOM 237 CB CYS A 18 1.569 -8.866 9.209 1.00 34.03 C ATOM 238 SG CYS A 18 0.020 -9.798 9.262 1.00 1.12 S ATOM 0 H CYS A 18 2.929 -6.088 8.421 1.00 23.33 H new ATOM 0 HA CYS A 18 0.371 -7.153 8.707 1.00 65.53 H new ATOM 0 HB2 CYS A 18 2.173 -9.232 8.378 1.00 34.03 H new ATOM 0 HB3 CYS A 18 2.131 -9.063 10.122 1.00 34.03 H new ATOM 0 HG CYS A 18 0.151 -10.896 8.578 1.00 1.12 H new ATOM 244 N ASP A 19 0.650 -5.774 10.743 1.00 51.23 N ATOM 245 CA ASP A 19 0.714 -5.047 12.006 1.00 71.44 C ATOM 246 C ASP A 19 2.118 -5.110 12.598 1.00 44.22 C ATOM 247 O ASP A 19 3.096 -4.754 11.941 1.00 40.04 O ATOM 248 CB ASP A 19 -0.298 -5.620 12.999 1.00 10.25 C ATOM 249 CG ASP A 19 -1.706 -5.655 12.437 1.00 5.44 C ATOM 250 OD1 ASP A 19 -1.963 -4.952 11.437 1.00 11.24 O ATOM 251 OD2 ASP A 19 -2.549 -6.385 12.997 1.00 74.32 O ATOM 0 H ASP A 19 -0.150 -5.533 10.158 1.00 51.23 H new ATOM 0 HA ASP A 19 0.469 -4.003 11.810 1.00 71.44 H new ATOM 0 HB2 ASP A 19 0.004 -6.629 13.279 1.00 10.25 H new ATOM 0 HB3 ASP A 19 -0.288 -5.021 13.909 1.00 10.25 H new ATOM 256 N ALA A 20 2.210 -5.563 13.844 1.00 61.54 N ATOM 257 CA ALA A 20 3.495 -5.673 14.524 1.00 74.21 C ATOM 258 C ALA A 20 4.534 -6.340 13.630 1.00 43.25 C ATOM 259 O ALA A 20 5.593 -5.772 13.363 1.00 73.20 O ATOM 260 CB ALA A 20 3.339 -6.449 15.824 1.00 53.43 C ATOM 0 H ALA A 20 1.410 -5.860 14.403 1.00 61.54 H new ATOM 0 HA ALA A 20 3.844 -4.666 14.753 1.00 74.21 H new ATOM 0 HB1 ALA A 20 4.306 -6.524 16.321 1.00 53.43 H new ATOM 0 HB2 ALA A 20 2.635 -5.931 16.475 1.00 53.43 H new ATOM 0 HB3 ALA A 20 2.964 -7.449 15.608 1.00 53.43 H new ATOM 266 N ASN A 21 4.225 -7.548 13.170 1.00 44.14 N ATOM 267 CA ASN A 21 5.134 -8.292 12.306 1.00 65.42 C ATOM 268 C ASN A 21 5.590 -7.436 11.129 1.00 42.45 C ATOM 269 O ASN A 21 6.722 -7.556 10.661 1.00 53.01 O ATOM 270 CB ASN A 21 4.457 -9.565 11.793 1.00 53.41 C ATOM 271 CG ASN A 21 3.070 -9.756 12.376 1.00 30.20 C ATOM 272 OD1 ASN A 21 2.282 -8.688 12.391 1.00 31.24 O flip ATOM 273 ND2 ASN A 21 2.712 -10.852 12.807 1.00 12.51 N flip ATOM 0 H ASN A 21 3.352 -8.032 13.381 1.00 44.14 H new ATOM 0 HA ASN A 21 6.010 -8.566 12.894 1.00 65.42 H new ATOM 0 HB2 ASN A 21 4.389 -9.525 10.706 1.00 53.41 H new ATOM 0 HB3 ASN A 21 5.075 -10.428 12.042 1.00 53.41 H new ATOM 0 HD21 ASN A 21 3.351 -11.646 12.775 1.00 12.51 H new ATOM 0 HD22 ASN A 21 1.776 -10.966 13.196 1.00 12.51 H new ATOM 280 N GLY A 22 4.700 -6.569 10.654 1.00 30.24 N ATOM 281 CA GLY A 22 5.029 -5.704 9.536 1.00 21.43 C ATOM 282 C GLY A 22 6.278 -4.882 9.787 1.00 33.32 C ATOM 283 O GLY A 22 7.199 -4.877 8.971 1.00 32.24 O ATOM 0 H GLY A 22 3.757 -6.451 11.024 1.00 30.24 H new ATOM 0 HA2 GLY A 22 5.170 -6.310 8.641 1.00 21.43 H new ATOM 0 HA3 GLY A 22 4.191 -5.035 9.339 1.00 21.43 H new ATOM 287 N GLU A 23 6.308 -4.185 10.918 1.00 14.53 N ATOM 288 CA GLU A 23 7.452 -3.353 11.272 1.00 21.00 C ATOM 289 C GLU A 23 8.632 -4.212 11.718 1.00 33.20 C ATOM 290 O GLU A 23 9.781 -3.774 11.683 1.00 54.10 O ATOM 291 CB GLU A 23 7.073 -2.371 12.383 1.00 65.12 C ATOM 292 CG GLU A 23 5.761 -1.647 12.134 1.00 42.24 C ATOM 293 CD GLU A 23 4.595 -2.285 12.863 1.00 71.24 C ATOM 294 OE1 GLU A 23 3.519 -1.654 12.928 1.00 43.35 O ATOM 295 OE2 GLU A 23 4.757 -3.415 13.368 1.00 24.32 O ATOM 0 H GLU A 23 5.554 -4.180 11.605 1.00 14.53 H new ATOM 0 HA GLU A 23 7.748 -2.791 10.386 1.00 21.00 H new ATOM 0 HB2 GLU A 23 7.006 -2.912 13.327 1.00 65.12 H new ATOM 0 HB3 GLU A 23 7.869 -1.635 12.493 1.00 65.12 H new ATOM 0 HG2 GLU A 23 5.858 -0.608 12.450 1.00 42.24 H new ATOM 0 HG3 GLU A 23 5.554 -1.636 11.064 1.00 42.24 H new ATOM 302 N ASN A 24 8.338 -5.439 12.138 1.00 53.52 N ATOM 303 CA ASN A 24 9.373 -6.360 12.592 1.00 1.42 C ATOM 304 C ASN A 24 10.259 -6.798 11.430 1.00 30.31 C ATOM 305 O ASN A 24 11.473 -6.941 11.581 1.00 40.41 O ATOM 306 CB ASN A 24 8.740 -7.584 13.256 1.00 20.20 C ATOM 307 CG ASN A 24 9.751 -8.412 14.025 1.00 21.40 C ATOM 308 OD1 ASN A 24 10.774 -7.899 14.478 1.00 65.40 O ATOM 309 ND2 ASN A 24 9.468 -9.701 14.176 1.00 61.15 N ATOM 0 H ASN A 24 7.392 -5.818 12.173 1.00 53.52 H new ATOM 0 HA ASN A 24 9.993 -5.840 13.322 1.00 1.42 H new ATOM 0 HB2 ASN A 24 7.950 -7.259 13.933 1.00 20.20 H new ATOM 0 HB3 ASN A 24 8.270 -8.205 12.494 1.00 20.20 H new ATOM 0 HD21 ASN A 24 10.111 -10.308 14.685 1.00 61.15 H new ATOM 0 HD22 ASN A 24 8.608 -10.084 13.783 1.00 61.15 H new ATOM 316 N CYS A 25 9.644 -7.010 10.272 1.00 71.30 N ATOM 317 CA CYS A 25 10.376 -7.433 9.083 1.00 22.04 C ATOM 318 C CYS A 25 10.665 -6.245 8.172 1.00 44.12 C ATOM 319 O CYS A 25 11.761 -6.123 7.624 1.00 53.45 O ATOM 320 CB CYS A 25 9.583 -8.495 8.321 1.00 72.10 C ATOM 321 SG CYS A 25 10.433 -10.084 8.169 1.00 15.11 S ATOM 0 H CYS A 25 8.640 -6.896 10.131 1.00 71.30 H new ATOM 0 HA CYS A 25 11.326 -7.861 9.404 1.00 22.04 H new ATOM 0 HB2 CYS A 25 8.629 -8.652 8.825 1.00 72.10 H new ATOM 0 HB3 CYS A 25 9.358 -8.119 7.323 1.00 72.10 H new ATOM 0 HG CYS A 25 9.682 -10.917 7.511 1.00 15.11 H new ATOM 327 N SER A 26 9.675 -5.373 8.013 1.00 2.53 N ATOM 328 CA SER A 26 9.821 -4.197 7.163 1.00 3.44 C ATOM 329 C SER A 26 9.106 -2.994 7.772 1.00 21.21 C ATOM 330 O SER A 26 7.932 -3.075 8.137 1.00 64.44 O ATOM 331 CB SER A 26 9.268 -4.480 5.766 1.00 52.45 C ATOM 332 OG SER A 26 8.186 -5.393 5.821 1.00 62.44 O ATOM 0 H SER A 26 8.763 -5.458 8.462 1.00 2.53 H new ATOM 0 HA SER A 26 10.883 -3.965 7.085 1.00 3.44 H new ATOM 0 HB2 SER A 26 8.939 -3.548 5.306 1.00 52.45 H new ATOM 0 HB3 SER A 26 10.058 -4.885 5.134 1.00 52.45 H new ATOM 0 HG SER A 26 7.849 -5.556 4.915 1.00 62.44 H new ATOM 338 N CYS A 27 9.822 -1.880 7.879 1.00 74.22 N ATOM 339 CA CYS A 27 9.257 -0.660 8.444 1.00 12.10 C ATOM 340 C CYS A 27 8.244 -0.036 7.489 1.00 63.20 C ATOM 341 O CYS A 27 8.441 1.076 7.000 1.00 34.52 O ATOM 342 CB CYS A 27 10.367 0.344 8.756 1.00 45.00 C ATOM 343 SG CYS A 27 11.453 0.703 7.355 1.00 21.32 S ATOM 0 H CYS A 27 10.794 -1.797 7.582 1.00 74.22 H new ATOM 0 HA CYS A 27 8.743 -0.922 9.369 1.00 12.10 H new ATOM 0 HB2 CYS A 27 9.915 1.274 9.099 1.00 45.00 H new ATOM 0 HB3 CYS A 27 10.969 -0.040 9.579 1.00 45.00 H new ATOM 0 HG CYS A 27 10.739 1.089 6.340 1.00 21.32 H new ATOM 349 N ASN A 28 7.162 -0.761 7.226 1.00 33.25 N ATOM 350 CA ASN A 28 6.119 -0.280 6.328 1.00 40.24 C ATOM 351 C ASN A 28 4.860 -1.133 6.449 1.00 52.40 C ATOM 352 O ASN A 28 4.750 -2.188 5.823 1.00 14.31 O ATOM 353 CB ASN A 28 6.618 -0.291 4.881 1.00 4.44 C ATOM 354 CG ASN A 28 7.397 0.962 4.529 1.00 12.31 C ATOM 355 OD1 ASN A 28 6.838 2.119 4.865 1.00 3.13 O flip ATOM 356 ND2 ASN A 28 8.487 0.890 3.962 1.00 44.54 N flip ATOM 0 H ASN A 28 6.985 -1.684 7.622 1.00 33.25 H new ATOM 0 HA ASN A 28 5.872 0.743 6.613 1.00 40.24 H new ATOM 0 HB2 ASN A 28 7.250 -1.165 4.724 1.00 4.44 H new ATOM 0 HB3 ASN A 28 5.767 -0.388 4.207 1.00 4.44 H new ATOM 0 HD21 ASN A 28 8.878 -0.021 3.723 1.00 44.54 H new ATOM 0 HD22 ASN A 28 8.999 1.741 3.731 1.00 44.54 H new ATOM 363 N CYS A 29 3.913 -0.668 7.257 1.00 63.30 N ATOM 364 CA CYS A 29 2.661 -1.388 7.461 1.00 62.21 C ATOM 365 C CYS A 29 1.546 -0.792 6.608 1.00 10.24 C ATOM 366 O CYS A 29 1.093 0.325 6.856 1.00 35.12 O ATOM 367 CB CYS A 29 2.264 -1.355 8.937 1.00 3.15 C ATOM 368 SG CYS A 29 3.251 -2.443 9.992 1.00 42.31 S ATOM 0 H CYS A 29 3.988 0.204 7.781 1.00 63.30 H new ATOM 0 HA CYS A 29 2.812 -2.424 7.157 1.00 62.21 H new ATOM 0 HB2 CYS A 29 2.354 -0.332 9.303 1.00 3.15 H new ATOM 0 HB3 CYS A 29 1.214 -1.635 9.026 1.00 3.15 H new ATOM 0 HG CYS A 29 2.890 -3.677 9.801 1.00 42.31 H new ATOM 374 N GLU A 30 1.110 -1.544 5.603 1.00 42.15 N ATOM 375 CA GLU A 30 0.050 -1.087 4.712 1.00 73.41 C ATOM 376 C GLU A 30 -0.645 -2.270 4.042 1.00 11.34 C ATOM 377 O GLU A 30 -0.561 -2.447 2.826 1.00 5.14 O ATOM 378 CB GLU A 30 0.617 -0.146 3.648 1.00 42.14 C ATOM 379 CG GLU A 30 -0.385 0.880 3.145 1.00 31.34 C ATOM 380 CD GLU A 30 -0.283 1.111 1.650 1.00 14.43 C ATOM 381 OE1 GLU A 30 -0.290 0.117 0.895 1.00 71.03 O ATOM 382 OE2 GLU A 30 -0.197 2.286 1.236 1.00 41.11 O ATOM 0 H GLU A 30 1.474 -2.472 5.385 1.00 42.15 H new ATOM 0 HA GLU A 30 -0.684 -0.547 5.310 1.00 73.41 H new ATOM 0 HB2 GLU A 30 1.482 0.375 4.059 1.00 42.14 H new ATOM 0 HB3 GLU A 30 0.973 -0.738 2.804 1.00 42.14 H new ATOM 0 HG2 GLU A 30 -1.394 0.547 3.389 1.00 31.34 H new ATOM 0 HG3 GLU A 30 -0.226 1.824 3.666 1.00 31.34 H new ATOM 389 N LEU A 31 -1.331 -3.076 4.844 1.00 32.44 N ATOM 390 CA LEU A 31 -2.041 -4.243 4.331 1.00 1.01 C ATOM 391 C LEU A 31 -2.694 -5.026 5.466 1.00 42.03 C ATOM 392 O LEU A 31 -2.483 -4.728 6.642 1.00 42.25 O ATOM 393 CB LEU A 31 -1.081 -5.149 3.557 1.00 13.34 C ATOM 394 CG LEU A 31 -1.676 -5.888 2.358 1.00 21.03 C ATOM 395 CD1 LEU A 31 -2.070 -7.305 2.746 1.00 4.24 C ATOM 396 CD2 LEU A 31 -2.875 -5.131 1.807 1.00 75.44 C ATOM 0 H LEU A 31 -1.411 -2.943 5.852 1.00 32.44 H new ATOM 0 HA LEU A 31 -2.824 -3.894 3.658 1.00 1.01 H new ATOM 0 HB2 LEU A 31 -0.245 -4.544 3.207 1.00 13.34 H new ATOM 0 HB3 LEU A 31 -0.673 -5.887 4.248 1.00 13.34 H new ATOM 0 HG LEU A 31 -0.917 -5.945 1.577 1.00 21.03 H new ATOM 0 HD11 LEU A 31 -2.492 -7.815 1.880 1.00 4.24 H new ATOM 0 HD12 LEU A 31 -1.189 -7.846 3.093 1.00 4.24 H new ATOM 0 HD13 LEU A 31 -2.812 -7.271 3.544 1.00 4.24 H new ATOM 0 HD21 LEU A 31 -3.286 -5.671 0.954 1.00 75.44 H new ATOM 0 HD22 LEU A 31 -3.637 -5.042 2.582 1.00 75.44 H new ATOM 0 HD23 LEU A 31 -2.563 -4.136 1.490 1.00 75.44 H new ATOM 408 N PHE A 32 -3.486 -6.030 5.105 1.00 21.34 N ATOM 409 CA PHE A 32 -4.169 -6.858 6.093 1.00 1.41 C ATOM 410 C PHE A 32 -4.213 -8.315 5.645 1.00 60.45 C ATOM 411 O PHE A 32 -5.080 -8.710 4.865 1.00 71.22 O ATOM 412 CB PHE A 32 -5.590 -6.341 6.327 1.00 20.13 C ATOM 413 CG PHE A 32 -5.687 -5.337 7.440 1.00 40.53 C ATOM 414 CD1 PHE A 32 -5.583 -3.980 7.177 1.00 23.12 C ATOM 415 CD2 PHE A 32 -5.882 -5.749 8.748 1.00 1.21 C ATOM 416 CE1 PHE A 32 -5.672 -3.053 8.198 1.00 22.05 C ATOM 417 CE2 PHE A 32 -5.972 -4.826 9.773 1.00 33.44 C ATOM 418 CZ PHE A 32 -5.866 -3.477 9.498 1.00 1.04 C ATOM 0 H PHE A 32 -3.671 -6.290 4.136 1.00 21.34 H new ATOM 0 HA PHE A 32 -3.610 -6.801 7.027 1.00 1.41 H new ATOM 0 HB2 PHE A 32 -5.959 -5.888 5.407 1.00 20.13 H new ATOM 0 HB3 PHE A 32 -6.243 -7.185 6.552 1.00 20.13 H new ATOM 0 HD1 PHE A 32 -5.431 -3.643 6.162 1.00 23.12 H new ATOM 0 HD2 PHE A 32 -5.965 -6.803 8.969 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -5.590 -1.998 7.980 1.00 22.05 H new ATOM 0 HE2 PHE A 32 -6.125 -5.160 10.789 1.00 33.44 H new ATOM 0 HZ PHE A 32 -5.935 -2.755 10.298 1.00 1.04 H new ATOM 428 N ASP A 33 -3.272 -9.110 6.142 1.00 3.22 N ATOM 429 CA ASP A 33 -3.202 -10.524 5.794 1.00 72.21 C ATOM 430 C ASP A 33 -3.098 -11.388 7.047 1.00 11.10 C ATOM 431 O ASP A 33 -2.858 -10.883 8.144 1.00 0.21 O ATOM 432 CB ASP A 33 -2.007 -10.787 4.877 1.00 24.52 C ATOM 433 CG ASP A 33 -2.193 -12.027 4.024 1.00 1.22 C ATOM 434 OD1 ASP A 33 -1.180 -12.564 3.528 1.00 52.31 O ATOM 435 OD2 ASP A 33 -3.351 -12.460 3.853 1.00 33.45 O ATOM 0 H ASP A 33 -2.546 -8.799 6.788 1.00 3.22 H new ATOM 0 HA ASP A 33 -4.119 -10.789 5.267 1.00 72.21 H new ATOM 0 HB2 ASP A 33 -1.853 -9.924 4.229 1.00 24.52 H new ATOM 0 HB3 ASP A 33 -1.106 -10.897 5.481 1.00 24.52 H new ATOM 440 N CYS A 34 -3.282 -12.693 6.877 1.00 45.02 N ATOM 441 CA CYS A 34 -3.210 -13.628 7.993 1.00 11.22 C ATOM 442 C CYS A 34 -3.138 -15.068 7.493 1.00 12.33 C ATOM 443 O CYS A 34 -4.048 -15.546 6.816 1.00 3.31 O ATOM 444 CB CYS A 34 -4.423 -13.454 8.909 1.00 31.33 C ATOM 445 SG CYS A 34 -4.707 -14.854 10.041 1.00 44.42 S ATOM 0 H CYS A 34 -3.482 -13.127 5.976 1.00 45.02 H new ATOM 0 HA CYS A 34 -2.303 -13.413 8.557 1.00 11.22 H new ATOM 0 HB2 CYS A 34 -4.293 -12.546 9.497 1.00 31.33 H new ATOM 0 HB3 CYS A 34 -5.312 -13.312 8.294 1.00 31.33 H new ATOM 450 N GLU A 35 -2.051 -15.753 7.833 1.00 44.33 N ATOM 451 CA GLU A 35 -1.860 -17.137 7.418 1.00 73.54 C ATOM 452 C GLU A 35 -0.509 -17.667 7.891 1.00 55.41 C ATOM 453 O GLU A 35 0.537 -17.277 7.375 1.00 43.53 O ATOM 454 CB GLU A 35 -1.962 -17.255 5.895 1.00 24.54 C ATOM 455 CG GLU A 35 -3.214 -17.975 5.423 1.00 42.23 C ATOM 456 CD GLU A 35 -3.706 -17.468 4.081 1.00 71.31 C ATOM 457 OE1 GLU A 35 -2.879 -16.943 3.306 1.00 72.40 O ATOM 458 OE2 GLU A 35 -4.917 -17.596 3.806 1.00 73.31 O ATOM 0 H GLU A 35 -1.290 -15.372 8.395 1.00 44.33 H new ATOM 0 HA GLU A 35 -2.646 -17.738 7.876 1.00 73.54 H new ATOM 0 HB2 GLU A 35 -1.941 -16.256 5.459 1.00 24.54 H new ATOM 0 HB3 GLU A 35 -1.086 -17.784 5.520 1.00 24.54 H new ATOM 0 HG2 GLU A 35 -3.009 -19.043 5.351 1.00 42.23 H new ATOM 0 HG3 GLU A 35 -4.002 -17.851 6.166 1.00 42.23 H new ATOM 465 N ALA A 36 -0.542 -18.557 8.877 1.00 0.01 N ATOM 466 CA ALA A 36 0.678 -19.141 9.419 1.00 4.15 C ATOM 467 C ALA A 36 1.072 -20.399 8.654 1.00 62.52 C ATOM 468 O ALA A 36 0.335 -21.385 8.637 1.00 34.21 O ATOM 469 CB ALA A 36 0.502 -19.454 10.898 1.00 51.20 C ATOM 0 H ALA A 36 -1.400 -18.889 9.317 1.00 0.01 H new ATOM 0 HA ALA A 36 1.481 -18.412 9.306 1.00 4.15 H new ATOM 0 HB1 ALA A 36 1.421 -19.890 11.290 1.00 51.20 H new ATOM 0 HB2 ALA A 36 0.276 -18.536 11.440 1.00 51.20 H new ATOM 0 HB3 ALA A 36 -0.318 -20.161 11.025 1.00 51.20 H new ATOM 475 N LYS A 37 2.239 -20.360 8.020 1.00 42.23 N ATOM 476 CA LYS A 37 2.732 -21.497 7.252 1.00 44.01 C ATOM 477 C LYS A 37 4.189 -21.291 6.849 1.00 1.03 C ATOM 478 O LYS A 37 4.940 -20.592 7.531 1.00 54.15 O ATOM 479 CB LYS A 37 1.872 -21.708 6.004 1.00 42.52 C ATOM 480 CG LYS A 37 1.578 -23.168 5.707 1.00 15.25 C ATOM 481 CD LYS A 37 0.247 -23.334 4.992 1.00 65.22 C ATOM 482 CE LYS A 37 -0.897 -23.513 5.977 1.00 31.54 C ATOM 483 NZ LYS A 37 -1.648 -24.775 5.731 1.00 34.53 N ATOM 0 H LYS A 37 2.862 -19.552 8.023 1.00 42.23 H new ATOM 0 HA LYS A 37 2.669 -22.384 7.883 1.00 44.01 H new ATOM 0 HB2 LYS A 37 0.930 -21.174 6.128 1.00 42.52 H new ATOM 0 HB3 LYS A 37 2.378 -21.266 5.146 1.00 42.52 H new ATOM 0 HG2 LYS A 37 2.377 -23.583 5.092 1.00 15.25 H new ATOM 0 HG3 LYS A 37 1.565 -23.734 6.638 1.00 15.25 H new ATOM 0 HD2 LYS A 37 0.057 -22.461 4.367 1.00 65.22 H new ATOM 0 HD3 LYS A 37 0.295 -24.197 4.328 1.00 65.22 H new ATOM 0 HE2 LYS A 37 -0.504 -23.517 6.994 1.00 31.54 H new ATOM 0 HE3 LYS A 37 -1.577 -22.665 5.901 1.00 31.54 H new ATOM 0 HZ1 LYS A 37 -2.420 -24.860 6.423 1.00 34.53 H new ATOM 0 HZ2 LYS A 37 -2.045 -24.761 4.770 1.00 34.53 H new ATOM 0 HZ3 LYS A 37 -1.005 -25.586 5.828 1.00 34.53 H new ATOM 497 N LYS A 38 4.583 -21.903 5.738 1.00 41.45 N ATOM 498 CA LYS A 38 5.949 -21.785 5.242 1.00 42.43 C ATOM 499 C LYS A 38 5.966 -21.627 3.725 1.00 73.04 C ATOM 500 O LYS A 38 5.670 -22.559 2.976 1.00 14.14 O ATOM 501 CB LYS A 38 6.768 -23.012 5.646 1.00 24.25 C ATOM 502 CG LYS A 38 8.197 -22.987 5.131 1.00 72.55 C ATOM 503 CD LYS A 38 8.376 -23.916 3.941 1.00 2.21 C ATOM 504 CE LYS A 38 9.728 -24.612 3.976 1.00 30.14 C ATOM 505 NZ LYS A 38 9.657 -25.990 3.417 1.00 72.33 N ATOM 0 H LYS A 38 3.975 -22.486 5.163 1.00 41.45 H new ATOM 0 HA LYS A 38 6.394 -20.895 5.687 1.00 42.43 H new ATOM 0 HB2 LYS A 38 6.784 -23.086 6.733 1.00 24.25 H new ATOM 0 HB3 LYS A 38 6.272 -23.908 5.273 1.00 24.25 H new ATOM 0 HG2 LYS A 38 8.464 -21.970 4.843 1.00 72.55 H new ATOM 0 HG3 LYS A 38 8.878 -23.281 5.930 1.00 72.55 H new ATOM 0 HD2 LYS A 38 7.581 -24.662 3.938 1.00 2.21 H new ATOM 0 HD3 LYS A 38 8.282 -23.347 3.016 1.00 2.21 H new ATOM 0 HE2 LYS A 38 10.452 -24.027 3.409 1.00 30.14 H new ATOM 0 HE3 LYS A 38 10.088 -24.655 5.004 1.00 30.14 H new ATOM 0 HZ1 LYS A 38 10.598 -26.430 3.459 1.00 72.33 H new ATOM 0 HZ2 LYS A 38 8.985 -26.556 3.973 1.00 72.33 H new ATOM 0 HZ3 LYS A 38 9.338 -25.947 2.428 1.00 72.33 H new ATOM 519 N PRO A 39 6.321 -20.421 3.258 1.00 41.21 N ATOM 520 CA PRO A 39 6.387 -20.114 1.826 1.00 53.01 C ATOM 521 C PRO A 39 7.540 -20.831 1.132 1.00 54.13 C ATOM 522 O PRO A 39 7.357 -21.451 0.084 1.00 53.32 O ATOM 523 CB PRO A 39 6.604 -18.599 1.797 1.00 22.14 C ATOM 524 CG PRO A 39 7.253 -18.285 3.101 1.00 2.01 C ATOM 525 CD PRO A 39 6.687 -19.264 4.092 1.00 12.21 C ATOM 0 HA PRO A 39 5.491 -20.440 1.298 1.00 53.01 H new ATOM 0 HB2 PRO A 39 7.236 -18.305 0.959 1.00 22.14 H new ATOM 0 HB3 PRO A 39 5.660 -18.066 1.686 1.00 22.14 H new ATOM 0 HG2 PRO A 39 8.336 -18.383 3.031 1.00 2.01 H new ATOM 0 HG3 PRO A 39 7.044 -17.259 3.404 1.00 2.01 H new ATOM 0 HD2 PRO A 39 7.419 -19.533 4.854 1.00 12.21 H new ATOM 0 HD3 PRO A 39 5.821 -18.854 4.612 1.00 12.21 H new ATOM 533 N ASP A 40 8.726 -20.742 1.722 1.00 23.51 N ATOM 534 CA ASP A 40 9.909 -21.384 1.161 1.00 63.42 C ATOM 535 C ASP A 40 11.131 -21.138 2.041 1.00 35.33 C ATOM 536 O ASP A 40 12.241 -20.955 1.544 1.00 75.14 O ATOM 537 CB ASP A 40 10.173 -20.868 -0.254 1.00 40.34 C ATOM 538 CG ASP A 40 10.030 -19.362 -0.357 1.00 1.10 C ATOM 539 OD1 ASP A 40 10.872 -18.645 0.223 1.00 0.35 O ATOM 540 OD2 ASP A 40 9.077 -18.901 -1.018 1.00 52.44 O ATOM 0 H ASP A 40 8.894 -20.232 2.589 1.00 23.51 H new ATOM 0 HA ASP A 40 9.724 -22.457 1.120 1.00 63.42 H new ATOM 0 HB2 ASP A 40 11.178 -21.156 -0.561 1.00 40.34 H new ATOM 0 HB3 ASP A 40 9.479 -21.344 -0.947 1.00 40.34 H new ATOM 545 N GLY A 41 10.917 -21.135 3.354 1.00 53.43 N ATOM 546 CA GLY A 41 12.009 -20.909 4.283 1.00 54.25 C ATOM 547 C GLY A 41 11.764 -21.553 5.633 1.00 61.14 C ATOM 548 O GLY A 41 12.577 -22.347 6.105 1.00 21.33 O ATOM 0 H GLY A 41 10.007 -21.285 3.790 1.00 53.43 H new ATOM 0 HA2 GLY A 41 12.932 -21.304 3.858 1.00 54.25 H new ATOM 0 HA3 GLY A 41 12.153 -19.837 4.416 1.00 54.25 H new ATOM 552 N SER A 42 10.641 -21.210 6.256 1.00 45.41 N ATOM 553 CA SER A 42 10.295 -21.756 7.563 1.00 73.14 C ATOM 554 C SER A 42 8.800 -21.612 7.832 1.00 20.15 C ATOM 555 O SER A 42 8.097 -20.888 7.126 1.00 23.45 O ATOM 556 CB SER A 42 11.093 -21.052 8.661 1.00 1.05 C ATOM 557 OG SER A 42 10.246 -20.273 9.488 1.00 35.44 O ATOM 0 H SER A 42 9.956 -20.557 5.877 1.00 45.41 H new ATOM 0 HA SER A 42 10.547 -22.817 7.565 1.00 73.14 H new ATOM 0 HB2 SER A 42 11.616 -21.792 9.266 1.00 1.05 H new ATOM 0 HB3 SER A 42 11.853 -20.414 8.210 1.00 1.05 H new ATOM 0 HG SER A 42 10.780 -19.835 10.183 1.00 35.44 H new ATOM 563 N TYR A 43 8.321 -22.306 8.859 1.00 62.33 N ATOM 564 CA TYR A 43 6.910 -22.259 9.222 1.00 52.34 C ATOM 565 C TYR A 43 6.622 -21.072 10.136 1.00 22.03 C ATOM 566 O TYR A 43 7.540 -20.435 10.653 1.00 71.42 O ATOM 567 CB TYR A 43 6.495 -23.560 9.910 1.00 14.01 C ATOM 568 CG TYR A 43 5.378 -24.292 9.199 1.00 5.33 C ATOM 569 CD1 TYR A 43 5.619 -24.994 8.025 1.00 44.45 C ATOM 570 CD2 TYR A 43 4.083 -24.280 9.702 1.00 62.44 C ATOM 571 CE1 TYR A 43 4.603 -25.663 7.371 1.00 32.02 C ATOM 572 CE2 TYR A 43 3.061 -24.948 9.056 1.00 72.11 C ATOM 573 CZ TYR A 43 3.325 -25.638 7.891 1.00 4.20 C ATOM 574 OH TYR A 43 2.309 -26.303 7.244 1.00 64.00 O ATOM 0 H TYR A 43 8.890 -22.908 9.455 1.00 62.33 H new ATOM 0 HA TYR A 43 6.329 -22.139 8.307 1.00 52.34 H new ATOM 0 HB2 TYR A 43 7.362 -24.217 9.980 1.00 14.01 H new ATOM 0 HB3 TYR A 43 6.181 -23.338 10.930 1.00 14.01 H new ATOM 0 HD1 TYR A 43 6.618 -25.017 7.616 1.00 44.45 H new ATOM 0 HD2 TYR A 43 3.872 -23.740 10.613 1.00 62.44 H new ATOM 0 HE1 TYR A 43 4.808 -26.203 6.458 1.00 32.02 H new ATOM 0 HE2 TYR A 43 2.060 -24.930 9.461 1.00 72.11 H new ATOM 0 HH TYR A 43 1.473 -26.186 7.742 1.00 64.00 H new ATOM 584 N ALA A 44 5.340 -20.781 10.332 1.00 62.31 N ATOM 585 CA ALA A 44 4.930 -19.674 11.186 1.00 53.32 C ATOM 586 C ALA A 44 4.969 -18.352 10.427 1.00 44.41 C ATOM 587 O ALA A 44 6.038 -17.878 10.040 1.00 62.23 O ATOM 588 CB ALA A 44 5.816 -19.603 12.420 1.00 1.54 C ATOM 0 H ALA A 44 4.568 -21.297 9.911 1.00 62.31 H new ATOM 0 HA ALA A 44 3.902 -19.852 11.501 1.00 53.32 H new ATOM 0 HB1 ALA A 44 5.498 -18.771 13.049 1.00 1.54 H new ATOM 0 HB2 ALA A 44 5.734 -20.534 12.981 1.00 1.54 H new ATOM 0 HB3 ALA A 44 6.852 -19.453 12.116 1.00 1.54 H new ATOM 594 N HIS A 45 3.798 -17.760 10.217 1.00 52.23 N ATOM 595 CA HIS A 45 3.699 -16.491 9.503 1.00 20.34 C ATOM 596 C HIS A 45 2.830 -15.501 10.273 1.00 73.50 C ATOM 597 O HIS A 45 2.009 -15.879 11.109 1.00 15.32 O ATOM 598 CB HIS A 45 3.124 -16.712 8.104 1.00 30.40 C ATOM 599 CG HIS A 45 4.140 -16.580 7.011 1.00 34.03 C ATOM 600 ND1 HIS A 45 3.911 -15.867 5.853 1.00 12.05 N ATOM 601 CD2 HIS A 45 5.396 -17.073 6.906 1.00 73.24 C ATOM 602 CE1 HIS A 45 4.981 -15.929 5.082 1.00 4.21 C ATOM 603 NE2 HIS A 45 5.897 -16.655 5.698 1.00 43.42 N ATOM 0 H HIS A 45 2.904 -18.138 10.531 1.00 52.23 H new ATOM 0 HA HIS A 45 4.702 -16.074 9.413 1.00 20.34 H new ATOM 0 HB2 HIS A 45 2.678 -17.705 8.056 1.00 30.40 H new ATOM 0 HB3 HIS A 45 2.322 -15.994 7.932 1.00 30.40 H new ATOM 0 HD1 HIS A 45 3.050 -15.369 5.627 1.00 12.05 H new ATOM 0 HD2 HIS A 45 5.909 -17.682 7.636 1.00 73.24 H new ATOM 0 HE1 HIS A 45 5.089 -15.465 4.113 1.00 4.21 H new ATOM 611 N PRO A 46 3.013 -14.204 9.986 1.00 24.22 N ATOM 612 CA PRO A 46 2.255 -13.134 10.641 1.00 43.34 C ATOM 613 C PRO A 46 0.790 -13.120 10.219 1.00 32.34 C ATOM 614 O PRO A 46 0.429 -13.660 9.173 1.00 31.11 O ATOM 615 CB PRO A 46 2.959 -11.860 10.167 1.00 4.31 C ATOM 616 CG PRO A 46 3.589 -12.235 8.870 1.00 4.22 C ATOM 617 CD PRO A 46 3.975 -13.682 9.000 1.00 31.44 C ATOM 0 HA PRO A 46 2.238 -13.251 11.725 1.00 43.34 H new ATOM 0 HB2 PRO A 46 2.252 -11.040 10.041 1.00 4.31 H new ATOM 0 HB3 PRO A 46 3.706 -11.529 10.889 1.00 4.31 H new ATOM 0 HG2 PRO A 46 2.895 -12.089 8.042 1.00 4.22 H new ATOM 0 HG3 PRO A 46 4.462 -11.615 8.667 1.00 4.22 H new ATOM 0 HD2 PRO A 46 3.898 -14.206 8.047 1.00 31.44 H new ATOM 0 HD3 PRO A 46 5.003 -13.794 9.343 1.00 31.44 H new ATOM 625 N CYS A 47 -0.051 -12.500 11.040 1.00 12.11 N ATOM 626 CA CYS A 47 -1.478 -12.416 10.753 1.00 11.32 C ATOM 627 C CYS A 47 -2.116 -11.251 11.505 1.00 52.14 C ATOM 628 O CYS A 47 -1.813 -11.012 12.674 1.00 60.33 O ATOM 629 CB CYS A 47 -2.174 -13.724 11.133 1.00 70.32 C ATOM 630 SG CYS A 47 -3.875 -13.510 11.748 1.00 73.41 S ATOM 0 H CYS A 47 0.231 -12.048 11.910 1.00 12.11 H new ATOM 0 HA CYS A 47 -1.599 -12.246 9.683 1.00 11.32 H new ATOM 0 HB2 CYS A 47 -2.194 -14.379 10.262 1.00 70.32 H new ATOM 0 HB3 CYS A 47 -1.583 -14.228 11.898 1.00 70.32 H new ATOM 635 N ARG A 48 -3.001 -10.529 10.825 1.00 74.32 N ATOM 636 CA ARG A 48 -3.682 -9.389 11.427 1.00 23.21 C ATOM 637 C ARG A 48 -4.191 -9.736 12.823 1.00 54.50 C ATOM 638 O ARG A 48 -5.384 -9.970 13.019 1.00 70.25 O ATOM 639 CB ARG A 48 -4.847 -8.939 10.544 1.00 1.22 C ATOM 640 CG ARG A 48 -5.698 -10.087 10.027 1.00 15.22 C ATOM 641 CD ARG A 48 -7.101 -9.622 9.667 1.00 1.11 C ATOM 642 NE ARG A 48 -8.086 -10.689 9.816 1.00 74.44 N ATOM 643 CZ ARG A 48 -8.508 -11.142 10.991 1.00 14.42 C ATOM 644 NH1 ARG A 48 -8.034 -10.621 12.115 1.00 64.45 N ATOM 645 NH2 ARG A 48 -9.408 -12.116 11.045 1.00 44.13 N ATOM 0 H ARG A 48 -3.263 -10.713 9.857 1.00 74.32 H new ATOM 0 HA ARG A 48 -2.965 -8.573 11.513 1.00 23.21 H new ATOM 0 HB2 ARG A 48 -5.479 -8.256 11.111 1.00 1.22 H new ATOM 0 HB3 ARG A 48 -4.454 -8.379 9.696 1.00 1.22 H new ATOM 0 HG2 ARG A 48 -5.223 -10.527 9.150 1.00 15.22 H new ATOM 0 HG3 ARG A 48 -5.756 -10.869 10.785 1.00 15.22 H new ATOM 0 HD2 ARG A 48 -7.378 -8.781 10.303 1.00 1.11 H new ATOM 0 HD3 ARG A 48 -7.111 -9.261 8.639 1.00 1.11 H new ATOM 0 HE ARG A 48 -8.472 -11.110 8.971 1.00 74.44 H new ATOM 0 HH11 ARG A 48 -7.344 -9.871 12.078 1.00 64.45 H new ATOM 0 HH12 ARG A 48 -8.360 -10.971 13.016 1.00 64.45 H new ATOM 0 HH21 ARG A 48 -9.777 -12.518 10.183 1.00 44.13 H new ATOM 0 HH22 ARG A 48 -9.731 -12.463 11.948 1.00 44.13 H new ATOM 659 N ARG A 49 -3.280 -9.766 13.790 1.00 42.05 N ATOM 660 CA ARG A 49 -3.637 -10.085 15.167 1.00 63.44 C ATOM 661 C ARG A 49 -2.387 -10.280 16.021 1.00 74.43 C ATOM 662 O ARG A 49 -1.535 -11.113 15.710 1.00 21.33 O ATOM 663 CB ARG A 49 -4.501 -11.347 15.212 1.00 2.14 C ATOM 664 CG ARG A 49 -5.918 -11.097 15.701 1.00 53.33 C ATOM 665 CD ARG A 49 -6.487 -12.316 16.409 1.00 60.30 C ATOM 666 NE ARG A 49 -7.946 -12.285 16.466 1.00 21.14 N ATOM 667 CZ ARG A 49 -8.632 -11.502 17.291 1.00 33.12 C ATOM 668 NH1 ARG A 49 -7.995 -10.690 18.123 1.00 13.32 N ATOM 669 NH2 ARG A 49 -9.959 -11.530 17.285 1.00 61.44 N ATOM 0 H ARG A 49 -2.289 -9.573 13.645 1.00 42.05 H new ATOM 0 HA ARG A 49 -4.206 -9.248 15.572 1.00 63.44 H new ATOM 0 HB2 ARG A 49 -4.542 -11.785 14.215 1.00 2.14 H new ATOM 0 HB3 ARG A 49 -4.025 -12.080 15.863 1.00 2.14 H new ATOM 0 HG2 ARG A 49 -5.924 -10.245 16.380 1.00 53.33 H new ATOM 0 HG3 ARG A 49 -6.555 -10.836 14.856 1.00 53.33 H new ATOM 0 HD2 ARG A 49 -6.164 -13.219 15.892 1.00 60.30 H new ATOM 0 HD3 ARG A 49 -6.086 -12.367 17.421 1.00 60.30 H new ATOM 0 HE ARG A 49 -8.466 -12.898 15.838 1.00 21.14 H new ATOM 0 HH11 ARG A 49 -6.975 -10.665 18.131 1.00 13.32 H new ATOM 0 HH12 ARG A 49 -8.525 -10.090 18.755 1.00 13.32 H new ATOM 0 HH21 ARG A 49 -10.453 -12.153 16.646 1.00 61.44 H new ATOM 0 HH22 ARG A 49 -10.485 -10.928 17.919 1.00 61.44 H new ATOM 683 N CYS A 50 -2.286 -9.507 17.096 1.00 21.21 N ATOM 684 CA CYS A 50 -1.140 -9.594 17.995 1.00 51.24 C ATOM 685 C CYS A 50 -0.525 -10.989 17.958 1.00 44.20 C ATOM 686 O CYS A 50 -0.992 -11.902 18.638 1.00 60.51 O ATOM 687 CB CYS A 50 -1.559 -9.245 19.424 1.00 62.24 C ATOM 688 SG CYS A 50 -3.064 -10.081 19.976 1.00 11.43 S ATOM 0 H CYS A 50 -2.983 -8.813 17.367 1.00 21.21 H new ATOM 0 HA CYS A 50 -0.390 -8.878 17.659 1.00 51.24 H new ATOM 0 HB2 CYS A 50 -0.745 -9.500 20.103 1.00 62.24 H new ATOM 0 HB3 CYS A 50 -1.708 -8.168 19.495 1.00 62.24 H new ATOM 0 HG CYS A 50 -3.489 -9.530 21.074 1.00 11.43 H new ATOM 694 N ASP A 51 0.525 -11.146 17.159 1.00 40.31 N ATOM 695 CA ASP A 51 1.205 -12.430 17.033 1.00 53.33 C ATOM 696 C ASP A 51 2.360 -12.338 16.041 1.00 40.23 C ATOM 697 O ASP A 51 2.218 -11.770 14.958 1.00 31.03 O ATOM 698 CB ASP A 51 0.219 -13.511 16.588 1.00 71.14 C ATOM 699 CG ASP A 51 0.305 -13.796 15.101 1.00 32.51 C ATOM 700 OD1 ASP A 51 -0.124 -12.935 14.305 1.00 12.44 O ATOM 701 OD2 ASP A 51 0.802 -14.881 14.733 1.00 33.35 O ATOM 0 H ASP A 51 0.924 -10.400 16.589 1.00 40.31 H new ATOM 0 HA ASP A 51 1.609 -12.697 18.009 1.00 53.33 H new ATOM 0 HB2 ASP A 51 0.415 -14.428 17.143 1.00 71.14 H new ATOM 0 HB3 ASP A 51 -0.795 -13.199 16.837 1.00 71.14 H new ATOM 706 N ALA A 52 3.504 -12.899 16.419 1.00 73.33 N ATOM 707 CA ALA A 52 4.683 -12.881 15.562 1.00 21.53 C ATOM 708 C ALA A 52 5.118 -14.297 15.197 1.00 11.22 C ATOM 709 O ALA A 52 4.714 -15.265 15.839 1.00 32.22 O ATOM 710 CB ALA A 52 5.821 -12.138 16.246 1.00 13.31 C ATOM 0 H ALA A 52 3.639 -13.371 17.313 1.00 73.33 H new ATOM 0 HA ALA A 52 4.424 -12.359 14.641 1.00 21.53 H new ATOM 0 HB1 ALA A 52 6.695 -12.132 15.595 1.00 13.31 H new ATOM 0 HB2 ALA A 52 5.515 -11.112 16.451 1.00 13.31 H new ATOM 0 HB3 ALA A 52 6.070 -12.636 17.183 1.00 13.31 H new ATOM 716 N ASN A 53 5.943 -14.409 14.161 1.00 3.34 N ATOM 717 CA ASN A 53 6.432 -15.707 13.710 1.00 12.42 C ATOM 718 C ASN A 53 7.908 -15.631 13.332 1.00 53.35 C ATOM 719 O ASN A 53 8.251 -15.313 12.194 1.00 64.53 O ATOM 720 CB ASN A 53 5.612 -16.196 12.515 1.00 74.12 C ATOM 721 CG ASN A 53 4.171 -16.494 12.885 1.00 44.11 C ATOM 722 OD1 ASN A 53 3.734 -17.644 12.846 1.00 70.00 O ATOM 723 ND2 ASN A 53 3.427 -15.456 13.246 1.00 13.44 N ATOM 0 H ASN A 53 6.287 -13.617 13.618 1.00 3.34 H new ATOM 0 HA ASN A 53 6.322 -16.415 14.532 1.00 12.42 H new ATOM 0 HB2 ASN A 53 5.634 -15.441 11.729 1.00 74.12 H new ATOM 0 HB3 ASN A 53 6.072 -17.095 12.105 1.00 74.12 H new ATOM 0 HD21 ASN A 53 2.450 -15.594 13.506 1.00 13.44 H new ATOM 0 HD22 ASN A 53 3.832 -14.520 13.264 1.00 13.44 H new ATOM 730 N ASN A 54 8.776 -15.925 14.294 1.00 12.10 N ATOM 731 CA ASN A 54 10.215 -15.890 14.062 1.00 62.12 C ATOM 732 C ASN A 54 10.619 -16.902 12.994 1.00 74.40 C ATOM 733 O ASN A 54 10.507 -18.112 13.197 1.00 4.34 O ATOM 734 CB ASN A 54 10.970 -16.176 15.362 1.00 15.40 C ATOM 735 CG ASN A 54 10.118 -16.918 16.374 1.00 54.43 C ATOM 736 OD1 ASN A 54 9.100 -16.244 16.897 1.00 70.32 O flip ATOM 737 ND2 ASN A 54 10.372 -18.082 16.681 1.00 74.21 N flip ATOM 0 H ASN A 54 8.508 -16.190 15.242 1.00 12.10 H new ATOM 0 HA ASN A 54 10.476 -14.892 13.710 1.00 62.12 H new ATOM 0 HB2 ASN A 54 11.860 -16.764 15.140 1.00 15.40 H new ATOM 0 HB3 ASN A 54 11.309 -15.236 15.796 1.00 15.40 H new ATOM 0 HD21 ASN A 54 11.165 -18.561 16.253 1.00 74.21 H new ATOM 0 HD22 ASN A 54 9.790 -18.568 17.363 1.00 74.21 H new ATOM 853 N ILE A 63 4.111 -17.290 17.881 1.00 42.13 N ATOM 854 CA ILE A 63 3.760 -16.736 19.182 1.00 2.42 C ATOM 855 C ILE A 63 3.016 -15.413 19.034 1.00 43.32 C ATOM 856 O ILE A 63 2.925 -14.842 17.947 1.00 40.12 O ATOM 857 CB ILE A 63 5.009 -16.514 20.055 1.00 24.03 C ATOM 858 CG1 ILE A 63 6.265 -16.459 19.183 1.00 60.14 C ATOM 859 CG2 ILE A 63 5.130 -17.616 21.097 1.00 33.12 C ATOM 860 CD1 ILE A 63 7.537 -16.224 19.968 1.00 54.15 C ATOM 0 HA ILE A 63 3.110 -17.463 19.669 1.00 2.42 H new ATOM 0 HB ILE A 63 4.907 -15.560 20.573 1.00 24.03 H new ATOM 0 HG12 ILE A 63 6.356 -17.395 18.632 1.00 60.14 H new ATOM 0 HG13 ILE A 63 6.151 -15.664 18.446 1.00 60.14 H new ATOM 0 HG21 ILE A 63 6.018 -17.445 21.706 1.00 33.12 H new ATOM 0 HG22 ILE A 63 4.246 -17.612 21.735 1.00 33.12 H new ATOM 0 HG23 ILE A 63 5.213 -18.581 20.598 1.00 33.12 H new ATOM 0 HD11 ILE A 63 8.386 -16.197 19.285 1.00 54.15 H new ATOM 0 HD12 ILE A 63 7.467 -15.274 20.498 1.00 54.15 H new ATOM 0 HD13 ILE A 63 7.675 -17.031 20.687 1.00 54.15 H new ATOM 872 N PRO A 64 2.473 -14.911 20.153 1.00 54.14 N ATOM 873 CA PRO A 64 1.729 -13.648 20.174 1.00 40.34 C ATOM 874 C PRO A 64 2.633 -12.439 19.954 1.00 73.32 C ATOM 875 O PRO A 64 3.857 -12.544 20.039 1.00 71.21 O ATOM 876 CB PRO A 64 1.125 -13.615 21.580 1.00 61.12 C ATOM 877 CG PRO A 64 2.034 -14.461 22.402 1.00 22.53 C ATOM 878 CD PRO A 64 2.542 -15.538 21.483 1.00 3.32 C ATOM 0 HA PRO A 64 0.988 -13.598 19.376 1.00 40.34 H new ATOM 0 HB2 PRO A 64 1.075 -12.597 21.966 1.00 61.12 H new ATOM 0 HB3 PRO A 64 0.108 -14.007 21.583 1.00 61.12 H new ATOM 0 HG2 PRO A 64 2.858 -13.871 22.805 1.00 22.53 H new ATOM 0 HG3 PRO A 64 1.504 -14.891 23.252 1.00 22.53 H new ATOM 0 HD2 PRO A 64 3.560 -15.834 21.735 1.00 3.32 H new ATOM 0 HD3 PRO A 64 1.926 -16.436 21.537 1.00 3.32 H new ATOM 886 N CYS A 65 2.022 -11.294 19.672 1.00 44.24 N ATOM 887 CA CYS A 65 2.773 -10.065 19.439 1.00 12.32 C ATOM 888 C CYS A 65 3.921 -9.932 20.434 1.00 21.42 C ATOM 889 O CYS A 65 3.701 -9.816 21.639 1.00 41.00 O ATOM 890 CB CYS A 65 1.849 -8.851 19.544 1.00 14.22 C ATOM 891 SG CYS A 65 2.600 -7.301 18.993 1.00 74.34 S ATOM 0 H CYS A 65 1.010 -11.191 19.599 1.00 44.24 H new ATOM 0 HA CYS A 65 3.191 -10.109 18.433 1.00 12.32 H new ATOM 0 HB2 CYS A 65 0.953 -9.038 18.953 1.00 14.22 H new ATOM 0 HB3 CYS A 65 1.530 -8.739 20.580 1.00 14.22 H new ATOM 0 HG CYS A 65 2.135 -6.317 19.704 1.00 74.34 H new ATOM 897 N ASN A 66 5.147 -9.953 19.921 1.00 1.13 N ATOM 898 CA ASN A 66 6.331 -9.837 20.765 1.00 32.53 C ATOM 899 C ASN A 66 6.197 -8.665 21.732 1.00 21.14 C ATOM 900 O ASN A 66 6.847 -8.633 22.777 1.00 51.22 O ATOM 901 CB ASN A 66 7.582 -9.662 19.903 1.00 4.40 C ATOM 902 CG ASN A 66 8.435 -10.915 19.859 1.00 2.13 C ATOM 903 OD1 ASN A 66 7.787 -12.073 19.899 1.00 22.13 O flip ATOM 904 ND2 ASN A 66 9.662 -10.842 19.790 1.00 32.12 N flip ATOM 0 H ASN A 66 5.347 -10.049 18.925 1.00 1.13 H new ATOM 0 HA ASN A 66 6.424 -10.755 21.346 1.00 32.53 H new ATOM 0 HB2 ASN A 66 7.286 -9.392 18.889 1.00 4.40 H new ATOM 0 HB3 ASN A 66 8.176 -8.835 20.293 1.00 4.40 H new ATOM 0 HD21 ASN A 66 10.118 -9.930 19.762 1.00 32.12 H new ATOM 0 HD22 ASN A 66 10.223 -11.694 19.761 1.00 32.12 H new ATOM 911 N GLU A 67 5.349 -7.705 21.376 1.00 5.14 N ATOM 912 CA GLU A 67 5.131 -6.531 22.213 1.00 1.21 C ATOM 913 C GLU A 67 3.748 -6.570 22.856 1.00 75.34 C ATOM 914 O GLU A 67 3.487 -5.874 23.837 1.00 52.44 O ATOM 915 CB GLU A 67 5.285 -5.252 21.387 1.00 63.33 C ATOM 916 CG GLU A 67 6.639 -4.581 21.550 1.00 33.43 C ATOM 917 CD GLU A 67 6.821 -3.963 22.923 1.00 64.31 C ATOM 918 OE1 GLU A 67 5.826 -3.879 23.672 1.00 54.20 O ATOM 919 OE2 GLU A 67 7.959 -3.564 23.248 1.00 70.21 O ATOM 0 H GLU A 67 4.802 -7.717 20.515 1.00 5.14 H new ATOM 0 HA GLU A 67 5.881 -6.537 23.004 1.00 1.21 H new ATOM 0 HB2 GLU A 67 5.131 -5.489 20.334 1.00 63.33 H new ATOM 0 HB3 GLU A 67 4.503 -4.548 21.673 1.00 63.33 H new ATOM 0 HG2 GLU A 67 7.427 -5.314 21.378 1.00 33.43 H new ATOM 0 HG3 GLU A 67 6.751 -3.808 20.790 1.00 33.43 H new ATOM 926 N ASP A 68 2.865 -7.390 22.295 1.00 53.50 N ATOM 927 CA ASP A 68 1.508 -7.521 22.812 1.00 33.25 C ATOM 928 C ASP A 68 1.107 -8.989 22.919 1.00 31.24 C ATOM 929 O ASP A 68 0.408 -9.517 22.054 1.00 62.52 O ATOM 930 CB ASP A 68 0.521 -6.775 21.913 1.00 4.40 C ATOM 931 CG ASP A 68 0.913 -5.325 21.702 1.00 32.15 C ATOM 932 OD1 ASP A 68 1.471 -5.011 20.630 1.00 13.41 O ATOM 933 OD2 ASP A 68 0.660 -4.505 22.610 1.00 64.14 O ATOM 0 H ASP A 68 3.065 -7.973 21.483 1.00 53.50 H new ATOM 0 HA ASP A 68 1.482 -7.081 23.809 1.00 33.25 H new ATOM 0 HB2 ASP A 68 0.463 -7.277 20.947 1.00 4.40 H new ATOM 0 HB3 ASP A 68 -0.474 -6.819 22.356 1.00 4.40 H new ATOM 938 N HIS A 69 1.555 -9.644 23.986 1.00 12.53 N ATOM 939 CA HIS A 69 1.243 -11.051 24.206 1.00 22.42 C ATOM 940 C HIS A 69 -0.205 -11.352 23.831 1.00 22.34 C ATOM 941 O HIS A 69 -0.802 -10.691 22.982 1.00 41.03 O ATOM 942 CB HIS A 69 1.493 -11.429 25.667 1.00 43.24 C ATOM 943 CG HIS A 69 2.794 -10.917 26.203 1.00 4.32 C ATOM 944 ND1 HIS A 69 3.852 -10.555 25.395 1.00 33.32 N ATOM 945 CD2 HIS A 69 3.205 -10.705 27.475 1.00 3.43 C ATOM 946 CE1 HIS A 69 4.857 -10.145 26.147 1.00 3.31 C ATOM 947 NE2 HIS A 69 4.491 -10.225 27.413 1.00 14.04 N ATOM 0 H HIS A 69 2.135 -9.222 24.711 1.00 12.53 H new ATOM 0 HA HIS A 69 1.896 -11.646 23.568 1.00 22.42 H new ATOM 0 HB2 HIS A 69 0.679 -11.040 26.279 1.00 43.24 H new ATOM 0 HB3 HIS A 69 1.472 -12.515 25.762 1.00 43.24 H new ATOM 0 HD2 HIS A 69 2.629 -10.880 28.372 1.00 3.43 H new ATOM 0 HE1 HIS A 69 5.816 -9.802 25.787 1.00 3.31 H new ATOM 0 HE2 HIS A 69 5.069 -9.972 28.215 1.00 14.04 H new ATOM 955 N PRO A 70 -0.784 -12.374 24.479 1.00 70.44 N ATOM 956 CA PRO A 70 -2.169 -12.786 24.230 1.00 63.34 C ATOM 957 C PRO A 70 -3.178 -11.763 24.739 1.00 33.42 C ATOM 958 O PRO A 70 -3.842 -11.984 25.753 1.00 25.03 O ATOM 959 CB PRO A 70 -2.295 -14.097 25.010 1.00 2.12 C ATOM 960 CG PRO A 70 -1.271 -13.996 26.087 1.00 23.34 C ATOM 961 CD PRO A 70 -0.132 -13.207 25.504 1.00 40.53 C ATOM 0 HA PRO A 70 -2.380 -12.886 23.165 1.00 63.34 H new ATOM 0 HB2 PRO A 70 -3.296 -14.216 25.425 1.00 2.12 H new ATOM 0 HB3 PRO A 70 -2.111 -14.959 24.368 1.00 2.12 H new ATOM 0 HG2 PRO A 70 -1.679 -13.500 26.968 1.00 23.34 H new ATOM 0 HG3 PRO A 70 -0.939 -14.985 26.403 1.00 23.34 H new ATOM 0 HD2 PRO A 70 0.364 -12.599 26.260 1.00 40.53 H new ATOM 0 HD3 PRO A 70 0.627 -13.858 25.070 1.00 40.53 H new ATOM 969 N CYS A 71 -3.290 -10.646 24.030 1.00 10.44 N ATOM 970 CA CYS A 71 -4.219 -9.588 24.412 1.00 74.12 C ATOM 971 C CYS A 71 -5.131 -9.219 23.246 1.00 1.20 C ATOM 972 O CYS A 71 -5.127 -9.881 22.208 1.00 55.24 O ATOM 973 CB CYS A 71 -3.452 -8.353 24.886 1.00 33.02 C ATOM 974 SG CYS A 71 -2.234 -8.692 26.179 1.00 71.13 S ATOM 0 H CYS A 71 -2.750 -10.449 23.188 1.00 10.44 H new ATOM 0 HA CYS A 71 -4.837 -9.959 25.230 1.00 74.12 H new ATOM 0 HB2 CYS A 71 -2.944 -7.904 24.032 1.00 33.02 H new ATOM 0 HB3 CYS A 71 -4.164 -7.616 25.257 1.00 33.02 H new ATOM 0 HG CYS A 71 -1.636 -7.587 26.512 1.00 71.13 H new ATOM 980 N HIS A 72 -5.912 -8.159 23.425 1.00 13.53 N ATOM 981 CA HIS A 72 -6.831 -7.702 22.388 1.00 3.54 C ATOM 982 C HIS A 72 -6.114 -7.568 21.048 1.00 2.43 C ATOM 983 O HIS A 72 -4.891 -7.433 20.998 1.00 63.35 O ATOM 984 CB HIS A 72 -7.453 -6.362 22.783 1.00 12.11 C ATOM 985 CG HIS A 72 -8.464 -6.472 23.882 1.00 35.13 C ATOM 986 ND1 HIS A 72 -8.379 -7.406 24.893 1.00 63.30 N ATOM 987 CD2 HIS A 72 -9.588 -5.757 24.127 1.00 24.40 C ATOM 988 CE1 HIS A 72 -9.406 -7.263 25.711 1.00 53.43 C ATOM 989 NE2 HIS A 72 -10.155 -6.268 25.268 1.00 22.25 N ATOM 0 H HIS A 72 -5.927 -7.600 24.278 1.00 13.53 H new ATOM 0 HA HIS A 72 -7.622 -8.445 22.284 1.00 3.54 H new ATOM 0 HB2 HIS A 72 -6.661 -5.681 23.096 1.00 12.11 H new ATOM 0 HB3 HIS A 72 -7.927 -5.919 21.907 1.00 12.11 H new ATOM 0 HD2 HIS A 72 -9.968 -4.937 23.535 1.00 24.40 H new ATOM 0 HE1 HIS A 72 -9.601 -7.857 26.591 1.00 53.43 H new ATOM 0 HE2 HIS A 72 -11.015 -5.934 25.703 1.00 22.25 H new ATOM 997 N HIS A 73 -6.883 -7.606 19.965 1.00 42.23 N ATOM 998 CA HIS A 73 -6.321 -7.489 18.624 1.00 42.12 C ATOM 999 C HIS A 73 -5.324 -6.336 18.551 1.00 23.33 C ATOM 1000 O HIS A 73 -5.294 -5.472 19.429 1.00 70.44 O ATOM 1001 CB HIS A 73 -7.435 -7.280 17.597 1.00 23.34 C ATOM 1002 CG HIS A 73 -8.091 -5.938 17.691 1.00 55.42 C ATOM 1003 ND1 HIS A 73 -8.245 -5.098 16.608 1.00 52.02 N ATOM 1004 CD2 HIS A 73 -8.638 -5.291 18.747 1.00 44.30 C ATOM 1005 CE1 HIS A 73 -8.856 -3.992 16.994 1.00 22.01 C ATOM 1006 NE2 HIS A 73 -9.105 -4.084 18.288 1.00 53.01 N ATOM 0 H HIS A 73 -7.897 -7.717 19.989 1.00 42.23 H new ATOM 0 HA HIS A 73 -5.795 -8.416 18.396 1.00 42.12 H new ATOM 0 HB2 HIS A 73 -7.023 -7.405 16.596 1.00 23.34 H new ATOM 0 HB3 HIS A 73 -8.190 -8.055 17.730 1.00 23.34 H new ATOM 0 HD2 HIS A 73 -8.696 -5.656 19.762 1.00 44.30 H new ATOM 0 HE1 HIS A 73 -9.109 -3.155 16.360 1.00 22.01 H new ATOM 0 HE2 HIS A 73 -9.569 -3.374 18.854 1.00 53.01 H new ATOM 1014 N CYS A 74 -4.509 -6.330 17.502 1.00 73.31 N ATOM 1015 CA CYS A 74 -3.510 -5.285 17.316 1.00 44.41 C ATOM 1016 C CYS A 74 -2.910 -4.861 18.653 1.00 32.41 C ATOM 1017 O CYS A 74 -3.315 -5.349 19.709 1.00 62.10 O ATOM 1018 CB CYS A 74 -4.131 -4.075 16.616 1.00 2.11 C ATOM 1019 SG CYS A 74 -3.009 -3.219 15.486 1.00 65.34 S ATOM 0 H CYS A 74 -4.521 -7.038 16.767 1.00 73.31 H new ATOM 0 HA CYS A 74 -2.712 -5.687 16.692 1.00 44.41 H new ATOM 0 HB2 CYS A 74 -5.010 -4.402 16.060 1.00 2.11 H new ATOM 0 HB3 CYS A 74 -4.476 -3.369 17.372 1.00 2.11 H new ATOM 0 HG CYS A 74 -3.626 -2.213 14.942 1.00 65.34 H new ATOM 1025 N HIS A 75 -1.942 -3.952 18.600 1.00 31.05 N ATOM 1026 CA HIS A 75 -1.285 -3.464 19.808 1.00 55.31 C ATOM 1027 C HIS A 75 -2.280 -3.351 20.959 1.00 11.34 C ATOM 1028 O HIS A 75 -3.484 -3.224 20.741 1.00 53.13 O ATOM 1029 CB HIS A 75 -0.634 -2.105 19.546 1.00 72.40 C ATOM 1030 CG HIS A 75 -1.609 -0.969 19.522 1.00 1.50 C ATOM 1031 ND1 HIS A 75 -1.449 0.176 20.274 1.00 43.20 N ATOM 1032 CD2 HIS A 75 -2.760 -0.804 18.830 1.00 52.25 C ATOM 1033 CE1 HIS A 75 -2.460 0.995 20.046 1.00 31.04 C ATOM 1034 NE2 HIS A 75 -3.270 0.424 19.173 1.00 0.11 N ATOM 0 H HIS A 75 -1.595 -3.538 17.735 1.00 31.05 H new ATOM 0 HA HIS A 75 -0.513 -4.181 20.087 1.00 55.31 H new ATOM 0 HB2 HIS A 75 0.114 -1.915 20.316 1.00 72.40 H new ATOM 0 HB3 HIS A 75 -0.107 -2.141 18.592 1.00 72.40 H new ATOM 0 HD2 HIS A 75 -3.197 -1.508 18.137 1.00 52.25 H new ATOM 0 HE1 HIS A 75 -2.600 1.966 20.497 1.00 31.04 H new ATOM 0 HE2 HIS A 75 -4.134 0.829 18.812 1.00 0.11 H new ATOM 1042 N GLU A 76 -1.767 -3.398 22.185 1.00 72.31 N ATOM 1043 CA GLU A 76 -2.612 -3.303 23.370 1.00 43.21 C ATOM 1044 C GLU A 76 -2.877 -1.845 23.733 1.00 41.41 C ATOM 1045 O GLU A 76 -1.947 -1.076 23.976 1.00 20.42 O ATOM 1046 CB GLU A 76 -1.956 -4.023 24.550 1.00 2.52 C ATOM 1047 CG GLU A 76 -2.809 -5.135 25.135 1.00 72.30 C ATOM 1048 CD GLU A 76 -4.244 -4.707 25.373 1.00 52.44 C ATOM 1049 OE1 GLU A 76 -5.134 -5.583 25.361 1.00 51.20 O ATOM 1050 OE2 GLU A 76 -4.477 -3.496 25.570 1.00 54.13 O ATOM 0 H GLU A 76 -0.772 -3.501 22.383 1.00 72.31 H new ATOM 0 HA GLU A 76 -3.565 -3.782 23.145 1.00 43.21 H new ATOM 0 HB2 GLU A 76 -1.003 -4.440 24.226 1.00 2.52 H new ATOM 0 HB3 GLU A 76 -1.736 -3.296 25.332 1.00 2.52 H new ATOM 0 HG2 GLU A 76 -2.796 -5.991 24.460 1.00 72.30 H new ATOM 0 HG3 GLU A 76 -2.372 -5.466 26.077 1.00 72.30 H new ATOM 1057 N GLU A 77 -4.153 -1.472 23.766 1.00 5.33 N ATOM 1058 CA GLU A 77 -4.540 -0.106 24.098 1.00 42.40 C ATOM 1059 C GLU A 77 -6.038 -0.017 24.377 1.00 65.22 C ATOM 1060 O GLU A 77 -6.576 1.068 24.596 1.00 1.03 O ATOM 1061 CB GLU A 77 -4.165 0.845 22.959 1.00 1.23 C ATOM 1062 CG GLU A 77 -5.267 1.025 21.929 1.00 62.14 C ATOM 1063 CD GLU A 77 -6.094 2.272 22.171 1.00 55.21 C ATOM 1064 OE1 GLU A 77 -5.502 3.322 22.497 1.00 52.30 O ATOM 1065 OE2 GLU A 77 -7.333 2.198 22.035 1.00 55.52 O ATOM 0 H GLU A 77 -4.935 -2.096 23.567 1.00 5.33 H new ATOM 0 HA GLU A 77 -4.002 0.188 24.999 1.00 42.40 H new ATOM 0 HB2 GLU A 77 -3.909 1.818 23.379 1.00 1.23 H new ATOM 0 HB3 GLU A 77 -3.272 0.468 22.461 1.00 1.23 H new ATOM 0 HG2 GLU A 77 -4.825 1.075 20.934 1.00 62.14 H new ATOM 0 HG3 GLU A 77 -5.920 0.152 21.945 1.00 62.14 H new ATOM 1072 N ASP A 78 -6.704 -1.166 24.366 1.00 71.24 N ATOM 1073 CA ASP A 78 -8.139 -1.220 24.617 1.00 34.05 C ATOM 1074 C ASP A 78 -8.526 -2.538 25.281 1.00 63.32 C ATOM 1075 O ASP A 78 -9.637 -3.035 25.097 1.00 70.02 O ATOM 1076 CB ASP A 78 -8.915 -1.046 23.311 1.00 50.22 C ATOM 1077 CG ASP A 78 -8.625 -2.150 22.314 1.00 60.43 C ATOM 1078 OD1 ASP A 78 -9.541 -2.952 22.033 1.00 64.12 O ATOM 1079 OD2 ASP A 78 -7.483 -2.213 21.814 1.00 44.34 O ATOM 0 H ASP A 78 -6.273 -2.073 24.186 1.00 71.24 H new ATOM 0 HA ASP A 78 -8.394 -0.404 25.293 1.00 34.05 H new ATOM 0 HB2 ASP A 78 -9.983 -1.026 23.526 1.00 50.22 H new ATOM 0 HB3 ASP A 78 -8.662 -0.083 22.867 1.00 50.22 H new ATOM 1084 N ASP A 79 -7.601 -3.100 26.052 1.00 41.14 N ATOM 1085 CA ASP A 79 -7.844 -4.361 26.743 1.00 53.14 C ATOM 1086 C ASP A 79 -9.133 -4.295 27.556 1.00 11.32 C ATOM 1087 O ASP A 79 -9.752 -3.238 27.673 1.00 41.11 O ATOM 1088 CB ASP A 79 -6.666 -4.702 27.657 1.00 54.24 C ATOM 1089 CG ASP A 79 -6.864 -4.191 29.070 1.00 31.45 C ATOM 1090 OD1 ASP A 79 -6.378 -3.082 29.374 1.00 10.34 O ATOM 1091 OD2 ASP A 79 -7.506 -4.901 29.873 1.00 64.23 O ATOM 0 H ASP A 79 -6.676 -2.702 26.214 1.00 41.14 H new ATOM 0 HA ASP A 79 -7.949 -5.144 25.992 1.00 53.14 H new ATOM 0 HB2 ASP A 79 -6.529 -5.783 27.680 1.00 54.24 H new ATOM 0 HB3 ASP A 79 -5.753 -4.274 27.243 1.00 54.24 H new ATOM 1096 N GLY A 80 -9.532 -5.433 28.117 1.00 54.54 N ATOM 1097 CA GLY A 80 -10.746 -5.482 28.911 1.00 61.20 C ATOM 1098 C GLY A 80 -10.743 -6.629 29.903 1.00 52.43 C ATOM 1099 O GLY A 80 -11.749 -7.319 30.066 1.00 30.41 O ATOM 0 H GLY A 80 -9.037 -6.321 28.036 1.00 54.54 H new ATOM 0 HA2 GLY A 80 -10.863 -4.541 29.448 1.00 61.20 H new ATOM 0 HA3 GLY A 80 -11.606 -5.580 28.249 1.00 61.20 H new ATOM 1103 N ASP A 81 -9.610 -6.833 30.565 1.00 0.21 N ATOM 1104 CA ASP A 81 -9.480 -7.904 31.546 1.00 60.32 C ATOM 1105 C ASP A 81 -9.229 -7.338 32.940 1.00 40.43 C ATOM 1106 O ASP A 81 -8.749 -6.213 33.088 1.00 23.31 O ATOM 1107 CB ASP A 81 -8.343 -8.849 31.153 1.00 2.32 C ATOM 1108 CG ASP A 81 -8.828 -10.260 30.885 1.00 13.34 C ATOM 1109 OD1 ASP A 81 -8.961 -11.036 31.855 1.00 52.11 O ATOM 1110 OD2 ASP A 81 -9.076 -10.588 29.706 1.00 12.54 O ATOM 0 H ASP A 81 -8.768 -6.271 30.440 1.00 0.21 H new ATOM 0 HA ASP A 81 -10.416 -8.462 31.564 1.00 60.32 H new ATOM 0 HB2 ASP A 81 -7.846 -8.464 30.263 1.00 2.32 H new ATOM 0 HB3 ASP A 81 -7.599 -8.869 31.950 1.00 2.32 H new ATOM 1115 N THR A 82 -9.558 -8.123 33.961 1.00 72.24 N ATOM 1116 CA THR A 82 -9.371 -7.699 35.342 1.00 21.44 C ATOM 1117 C THR A 82 -7.940 -7.233 35.585 1.00 11.03 C ATOM 1118 O THR A 82 -7.678 -6.035 35.697 1.00 25.15 O ATOM 1119 CB THR A 82 -9.703 -8.836 36.328 1.00 2.53 C ATOM 1120 OG1 THR A 82 -10.975 -9.409 36.005 1.00 45.20 O ATOM 1121 CG2 THR A 82 -9.722 -8.321 37.760 1.00 63.42 C ATOM 0 H THR A 82 -9.956 -9.057 33.857 1.00 72.24 H new ATOM 0 HA THR A 82 -10.055 -6.868 35.513 1.00 21.44 H new ATOM 0 HB THR A 82 -8.929 -9.599 36.243 1.00 2.53 H new ATOM 0 HG1 THR A 82 -11.178 -10.132 36.635 1.00 45.20 H new ATOM 0 HG21 THR A 82 -9.958 -9.141 38.438 1.00 63.42 H new ATOM 0 HG22 THR A 82 -8.744 -7.912 38.012 1.00 63.42 H new ATOM 0 HG23 THR A 82 -10.477 -7.541 37.856 1.00 63.42 H new ATOM 1129 N HIS A 83 -7.017 -8.186 35.665 1.00 32.41 N ATOM 1130 CA HIS A 83 -5.611 -7.872 35.894 1.00 73.24 C ATOM 1131 C HIS A 83 -5.089 -6.913 34.829 1.00 40.34 C ATOM 1132 O HIS A 83 -4.341 -5.982 35.131 1.00 63.22 O ATOM 1133 CB HIS A 83 -4.775 -9.152 35.898 1.00 60.22 C ATOM 1134 CG HIS A 83 -5.244 -10.171 36.891 1.00 44.41 C ATOM 1135 ND1 HIS A 83 -6.122 -9.877 37.912 1.00 32.03 N ATOM 1136 CD2 HIS A 83 -4.952 -11.487 37.014 1.00 11.40 C ATOM 1137 CE1 HIS A 83 -6.350 -10.968 38.622 1.00 45.02 C ATOM 1138 NE2 HIS A 83 -5.652 -11.959 38.097 1.00 23.11 N ATOM 0 H HIS A 83 -7.217 -9.182 35.575 1.00 32.41 H new ATOM 0 HA HIS A 83 -5.526 -7.388 36.867 1.00 73.24 H new ATOM 0 HB2 HIS A 83 -4.795 -9.592 34.901 1.00 60.22 H new ATOM 0 HB3 HIS A 83 -3.737 -8.898 36.113 1.00 60.22 H new ATOM 0 HD2 HIS A 83 -4.292 -12.059 36.379 1.00 11.40 H new ATOM 0 HE1 HIS A 83 -6.997 -11.038 39.484 1.00 45.02 H new ATOM 0 HE2 HIS A 83 -5.636 -12.919 38.440 1.00 23.11 H new ATOM 1146 N CYS A 84 -5.487 -7.146 33.583 1.00 52.30 N ATOM 1147 CA CYS A 84 -5.058 -6.303 32.473 1.00 41.24 C ATOM 1148 C CYS A 84 -5.396 -4.840 32.738 1.00 14.43 C ATOM 1149 O CYS A 84 -4.564 -3.953 32.543 1.00 22.45 O ATOM 1150 CB CYS A 84 -5.716 -6.763 31.171 1.00 35.14 C ATOM 1151 SG CYS A 84 -5.084 -8.335 30.540 1.00 42.35 S ATOM 0 H CYS A 84 -6.106 -7.912 33.316 1.00 52.30 H new ATOM 0 HA CYS A 84 -3.976 -6.395 32.377 1.00 41.24 H new ATOM 0 HB2 CYS A 84 -6.790 -6.854 31.332 1.00 35.14 H new ATOM 0 HB3 CYS A 84 -5.571 -5.994 30.412 1.00 35.14 H new ATOM 0 HG CYS A 84 -5.703 -8.641 29.438 1.00 42.35 H new ATOM 1157 N HIS A 85 -6.625 -4.593 33.183 1.00 43.13 N ATOM 1158 CA HIS A 85 -7.074 -3.236 33.474 1.00 32.32 C ATOM 1159 C HIS A 85 -6.354 -2.676 34.697 1.00 31.21 C ATOM 1160 O HIS A 85 -6.134 -1.469 34.801 1.00 40.11 O ATOM 1161 CB HIS A 85 -8.586 -3.216 33.704 1.00 43.50 C ATOM 1162 CG HIS A 85 -8.973 -2.890 35.114 1.00 42.34 C ATOM 1163 ND1 HIS A 85 -8.782 -3.759 36.167 1.00 63.13 N ATOM 1164 CD2 HIS A 85 -9.542 -1.781 35.642 1.00 43.23 C ATOM 1165 CE1 HIS A 85 -9.218 -3.200 37.281 1.00 1.12 C ATOM 1166 NE2 HIS A 85 -9.684 -1.999 36.990 1.00 3.30 N ATOM 0 H HIS A 85 -7.327 -5.314 33.350 1.00 43.13 H new ATOM 0 HA HIS A 85 -6.836 -2.608 32.615 1.00 32.32 H new ATOM 0 HB2 HIS A 85 -9.038 -2.485 33.034 1.00 43.50 H new ATOM 0 HB3 HIS A 85 -8.999 -4.189 33.438 1.00 43.50 H new ATOM 0 HD1 HIS A 85 -8.368 -4.689 36.097 1.00 63.13 H new ATOM 0 HD2 HIS A 85 -9.831 -0.891 35.103 1.00 43.23 H new ATOM 0 HE1 HIS A 85 -9.197 -3.649 38.263 1.00 1.12 H new ATOM 1174 N CYS A 86 -5.991 -3.560 35.620 1.00 63.13 N ATOM 1175 CA CYS A 86 -5.297 -3.154 36.837 1.00 43.44 C ATOM 1176 C CYS A 86 -3.833 -2.837 36.548 1.00 50.33 C ATOM 1177 O CYS A 86 -3.226 -1.999 37.214 1.00 4.04 O ATOM 1178 CB CYS A 86 -5.394 -4.253 37.895 1.00 2.13 C ATOM 1179 SG CYS A 86 -6.530 -3.875 39.250 1.00 0.11 S ATOM 0 H CYS A 86 -6.166 -4.562 35.549 1.00 63.13 H new ATOM 0 HA CYS A 86 -5.777 -2.252 37.216 1.00 43.44 H new ATOM 0 HB2 CYS A 86 -5.713 -5.178 37.415 1.00 2.13 H new ATOM 0 HB3 CYS A 86 -4.401 -4.434 38.307 1.00 2.13 H new ATOM 0 HG CYS A 86 -6.545 -4.865 40.092 1.00 0.11 H new ATOM 1185 N SER A 87 -3.272 -3.513 35.551 1.00 71.34 N ATOM 1186 CA SER A 87 -1.878 -3.308 35.177 1.00 44.02 C ATOM 1187 C SER A 87 -1.730 -2.080 34.284 1.00 3.52 C ATOM 1188 O SER A 87 -0.656 -1.480 34.207 1.00 34.40 O ATOM 1189 CB SER A 87 -1.333 -4.544 34.458 1.00 52.45 C ATOM 1190 OG SER A 87 -1.493 -5.707 35.251 1.00 64.03 O ATOM 0 H SER A 87 -3.762 -4.208 34.987 1.00 71.34 H new ATOM 0 HA SER A 87 -1.304 -3.144 36.089 1.00 44.02 H new ATOM 0 HB2 SER A 87 -1.851 -4.674 33.508 1.00 52.45 H new ATOM 0 HB3 SER A 87 -0.277 -4.399 34.228 1.00 52.45 H new ATOM 0 HG SER A 87 -2.444 -5.936 35.308 1.00 64.03 H new ATOM 1196 N CYS A 88 -2.814 -1.711 33.612 1.00 14.41 N ATOM 1197 CA CYS A 88 -2.807 -0.554 32.723 1.00 4.15 C ATOM 1198 C CYS A 88 -3.019 0.736 33.509 1.00 54.35 C ATOM 1199 O CYS A 88 -2.432 1.770 33.192 1.00 54.33 O ATOM 1200 CB CYS A 88 -3.890 -0.699 31.654 1.00 33.10 C ATOM 1201 SG CYS A 88 -3.554 -1.989 30.433 1.00 61.23 S ATOM 0 H CYS A 88 -3.710 -2.196 33.665 1.00 14.41 H new ATOM 0 HA CYS A 88 -1.833 -0.506 32.237 1.00 4.15 H new ATOM 0 HB2 CYS A 88 -4.841 -0.914 32.142 1.00 33.10 H new ATOM 0 HB3 CYS A 88 -4.006 0.254 31.138 1.00 33.10 H new ATOM 0 HG CYS A 88 -3.881 -3.147 30.924 1.00 61.23 H new ATOM 1349 N THR A 99 2.457 6.938 26.503 1.00 72.13 N ATOM 1350 CA THR A 99 1.167 6.421 26.063 1.00 10.22 C ATOM 1351 C THR A 99 1.047 6.462 24.544 1.00 11.51 C ATOM 1352 O THR A 99 -0.056 6.525 24.000 1.00 51.31 O ATOM 1353 CB THR A 99 0.002 7.218 26.681 1.00 45.23 C ATOM 1354 OG1 THR A 99 -1.246 6.609 26.335 1.00 72.41 O ATOM 1355 CG2 THR A 99 0.019 8.661 26.199 1.00 52.11 C ATOM 0 HA THR A 99 1.109 5.386 26.401 1.00 10.22 H new ATOM 0 HB THR A 99 0.120 7.212 27.765 1.00 45.23 H new ATOM 0 HG1 THR A 99 -1.249 6.389 25.380 1.00 72.41 H new ATOM 0 HG21 THR A 99 -0.812 9.204 26.648 1.00 52.11 H new ATOM 0 HG22 THR A 99 0.959 9.131 26.490 1.00 52.11 H new ATOM 0 HG23 THR A 99 -0.077 8.683 25.113 1.00 52.11 H new ATOM 1363 N HIS A 100 2.188 6.426 23.864 1.00 42.14 N ATOM 1364 CA HIS A 100 2.210 6.458 22.406 1.00 43.15 C ATOM 1365 C HIS A 100 3.586 6.069 21.874 1.00 25.33 C ATOM 1366 O HIS A 100 4.490 5.742 22.643 1.00 50.51 O ATOM 1367 CB HIS A 100 1.830 7.850 21.899 1.00 23.20 C ATOM 1368 CG HIS A 100 0.730 7.838 20.883 1.00 63.33 C ATOM 1369 ND1 HIS A 100 0.589 6.843 19.939 1.00 73.43 N ATOM 1370 CD2 HIS A 100 -0.285 8.706 20.667 1.00 35.01 C ATOM 1371 CE1 HIS A 100 -0.465 7.100 19.185 1.00 14.23 C ATOM 1372 NE2 HIS A 100 -1.014 8.225 19.607 1.00 41.41 N ATOM 0 H HIS A 100 3.109 6.375 24.299 1.00 42.14 H new ATOM 0 HA HIS A 100 1.481 5.735 22.041 1.00 43.15 H new ATOM 0 HB2 HIS A 100 1.525 8.465 22.746 1.00 23.20 H new ATOM 0 HB3 HIS A 100 2.711 8.322 21.463 1.00 23.20 H new ATOM 0 HD1 HIS A 100 1.203 6.035 19.838 1.00 73.43 H new ATOM 0 HD2 HIS A 100 -0.485 9.609 21.224 1.00 35.01 H new ATOM 0 HE1 HIS A 100 -0.818 6.494 18.364 1.00 14.23 H new ATOM 1380 N GLY A 101 3.738 6.105 20.554 1.00 70.42 N ATOM 1381 CA GLY A 101 5.006 5.752 19.943 1.00 43.33 C ATOM 1382 C GLY A 101 5.864 6.966 19.645 1.00 13.43 C ATOM 1383 O GLY A 101 5.800 7.526 18.551 1.00 35.13 O ATOM 0 H GLY A 101 3.005 6.372 19.897 1.00 70.42 H new ATOM 0 HA2 GLY A 101 5.551 5.080 20.606 1.00 43.33 H new ATOM 0 HA3 GLY A 101 4.821 5.206 19.018 1.00 43.33 H new ATOM 1387 N GLU A 102 6.667 7.375 20.622 1.00 1.53 N ATOM 1388 CA GLU A 102 7.539 8.533 20.459 1.00 14.15 C ATOM 1389 C GLU A 102 8.721 8.464 21.422 1.00 60.43 C ATOM 1390 O GLU A 102 8.765 7.611 22.309 1.00 60.43 O ATOM 1391 CB GLU A 102 6.754 9.826 20.691 1.00 43.44 C ATOM 1392 CG GLU A 102 6.902 10.837 19.566 1.00 52.04 C ATOM 1393 CD GLU A 102 8.350 11.087 19.192 1.00 1.23 C ATOM 1394 OE1 GLU A 102 8.764 10.650 18.098 1.00 20.11 O ATOM 1395 OE2 GLU A 102 9.069 11.719 19.994 1.00 42.44 O ATOM 0 H GLU A 102 6.732 6.922 21.534 1.00 1.53 H new ATOM 0 HA GLU A 102 7.923 8.526 19.439 1.00 14.15 H new ATOM 0 HB2 GLU A 102 5.698 9.583 20.814 1.00 43.44 H new ATOM 0 HB3 GLU A 102 7.087 10.281 21.624 1.00 43.44 H new ATOM 0 HG2 GLU A 102 6.361 10.481 18.689 1.00 52.04 H new ATOM 0 HG3 GLU A 102 6.440 11.778 19.865 1.00 52.04 H new ATOM 1402 N CYS A 103 9.678 9.367 21.239 1.00 25.23 N ATOM 1403 CA CYS A 103 10.862 9.409 22.089 1.00 44.11 C ATOM 1404 C CYS A 103 11.777 10.564 21.690 1.00 22.51 C ATOM 1405 O CYS A 103 12.181 10.680 20.532 1.00 15.23 O ATOM 1406 CB CYS A 103 11.625 8.086 22.002 1.00 25.23 C ATOM 1407 SG CYS A 103 11.735 7.400 20.318 1.00 23.33 S ATOM 0 H CYS A 103 9.657 10.080 20.510 1.00 25.23 H new ATOM 0 HA CYS A 103 10.536 9.565 23.117 1.00 44.11 H new ATOM 0 HB2 CYS A 103 12.633 8.234 22.389 1.00 25.23 H new ATOM 0 HB3 CYS A 103 11.139 7.356 22.649 1.00 25.23 H new ATOM 1412 N THR A 104 12.102 11.416 22.658 1.00 73.34 N ATOM 1413 CA THR A 104 12.968 12.561 22.408 1.00 14.24 C ATOM 1414 C THR A 104 13.513 13.132 23.712 1.00 14.44 C ATOM 1415 O THR A 104 13.979 14.271 23.757 1.00 61.11 O ATOM 1416 CB THR A 104 12.223 13.673 21.646 1.00 52.12 C ATOM 1417 OG1 THR A 104 11.466 13.107 20.570 1.00 64.03 O ATOM 1418 CG2 THR A 104 13.200 14.702 21.099 1.00 42.42 C ATOM 0 H THR A 104 11.778 11.334 23.622 1.00 73.34 H new ATOM 0 HA THR A 104 13.796 12.204 21.796 1.00 14.24 H new ATOM 0 HB THR A 104 11.548 14.171 22.342 1.00 52.12 H new ATOM 0 HG1 THR A 104 11.927 12.313 20.228 1.00 64.03 H new ATOM 0 HG21 THR A 104 12.651 15.477 20.565 1.00 42.42 H new ATOM 0 HG22 THR A 104 13.754 15.152 21.923 1.00 42.42 H new ATOM 0 HG23 THR A 104 13.897 14.215 20.416 1.00 42.42 H new ATOM 1426 N LYS A 105 13.451 12.335 24.773 1.00 25.15 N ATOM 1427 CA LYS A 105 13.941 12.760 26.080 1.00 73.33 C ATOM 1428 C LYS A 105 15.344 12.220 26.337 1.00 40.11 C ATOM 1429 O LYS A 105 15.903 11.497 25.512 1.00 23.22 O ATOM 1430 CB LYS A 105 12.991 12.286 27.182 1.00 74.22 C ATOM 1431 CG LYS A 105 12.488 13.407 28.075 1.00 73.22 C ATOM 1432 CD LYS A 105 11.484 12.899 29.096 1.00 31.50 C ATOM 1433 CE LYS A 105 12.178 12.267 30.293 1.00 71.41 C ATOM 1434 NZ LYS A 105 11.210 11.602 31.208 1.00 34.42 N ATOM 0 H LYS A 105 13.066 11.391 24.754 1.00 25.15 H new ATOM 0 HA LYS A 105 13.983 13.849 26.088 1.00 73.33 H new ATOM 0 HB2 LYS A 105 12.137 11.787 26.724 1.00 74.22 H new ATOM 0 HB3 LYS A 105 13.502 11.545 27.796 1.00 74.22 H new ATOM 0 HG2 LYS A 105 13.330 13.869 28.590 1.00 73.22 H new ATOM 0 HG3 LYS A 105 12.026 14.181 27.463 1.00 73.22 H new ATOM 0 HD2 LYS A 105 10.856 13.724 29.432 1.00 31.50 H new ATOM 0 HD3 LYS A 105 10.826 12.167 28.628 1.00 31.50 H new ATOM 0 HE2 LYS A 105 12.909 11.537 29.945 1.00 71.41 H new ATOM 0 HE3 LYS A 105 12.728 13.033 30.840 1.00 71.41 H new ATOM 0 HZ1 LYS A 105 11.722 11.184 32.011 1.00 34.42 H new ATOM 0 HZ2 LYS A 105 10.527 12.303 31.560 1.00 34.42 H new ATOM 0 HZ3 LYS A 105 10.703 10.854 30.693 1.00 34.42 H new ATOM 1448 N LYS A 106 15.908 12.575 27.486 1.00 31.15 N ATOM 1449 CA LYS A 106 17.245 12.124 27.855 1.00 51.44 C ATOM 1450 C LYS A 106 17.291 10.605 27.983 1.00 41.20 C ATOM 1451 O LYS A 106 18.335 10.030 28.290 1.00 40.43 O ATOM 1452 CB LYS A 106 17.679 12.772 29.172 1.00 71.43 C ATOM 1453 CG LYS A 106 19.178 12.719 29.410 1.00 31.25 C ATOM 1454 CD LYS A 106 19.540 11.674 30.453 1.00 42.13 C ATOM 1455 CE LYS A 106 20.824 10.945 30.088 1.00 70.42 C ATOM 1456 NZ LYS A 106 20.597 9.486 29.894 1.00 71.43 N ATOM 0 H LYS A 106 15.460 13.174 28.179 1.00 31.15 H new ATOM 0 HA LYS A 106 17.934 12.425 27.065 1.00 51.44 H new ATOM 0 HB2 LYS A 106 17.355 13.813 29.179 1.00 71.43 H new ATOM 0 HB3 LYS A 106 17.171 12.274 29.997 1.00 71.43 H new ATOM 0 HG2 LYS A 106 19.688 12.492 28.474 1.00 31.25 H new ATOM 0 HG3 LYS A 106 19.530 13.697 29.736 1.00 31.25 H new ATOM 0 HD2 LYS A 106 19.656 12.153 31.425 1.00 42.13 H new ATOM 0 HD3 LYS A 106 18.726 10.955 30.547 1.00 42.13 H new ATOM 0 HE2 LYS A 106 21.238 11.373 29.175 1.00 70.42 H new ATOM 0 HE3 LYS A 106 21.564 11.096 30.874 1.00 70.42 H new ATOM 0 HZ1 LYS A 106 21.423 9.066 29.423 1.00 71.43 H new ATOM 0 HZ2 LYS A 106 20.457 9.031 30.818 1.00 71.43 H new ATOM 0 HZ3 LYS A 106 19.752 9.341 29.305 1.00 71.43 H new ATOM 1470 N ALA A 107 16.153 9.961 27.745 1.00 63.10 N ATOM 1471 CA ALA A 107 16.066 8.508 27.831 1.00 54.53 C ATOM 1472 C ALA A 107 15.891 7.887 26.449 1.00 21.43 C ATOM 1473 O ALA A 107 15.795 8.581 25.437 1.00 22.11 O ATOM 1474 CB ALA A 107 14.918 8.102 28.743 1.00 0.03 C ATOM 0 H ALA A 107 15.279 10.422 27.491 1.00 63.10 H new ATOM 0 HA ALA A 107 17.000 8.136 28.253 1.00 54.53 H new ATOM 0 HB1 ALA A 107 14.864 7.015 28.798 1.00 0.03 H new ATOM 0 HB2 ALA A 107 15.085 8.508 29.741 1.00 0.03 H new ATOM 0 HB3 ALA A 107 13.981 8.492 28.344 1.00 0.03 H new ATOM 1480 N PRO A 108 15.850 6.547 26.404 1.00 74.34 N ATOM 1481 CA PRO A 108 15.687 5.802 25.152 1.00 52.05 C ATOM 1482 C PRO A 108 14.291 5.963 24.558 1.00 2.25 C ATOM 1483 O PRO A 108 13.444 6.660 25.118 1.00 21.45 O ATOM 1484 CB PRO A 108 15.926 4.349 25.569 1.00 34.15 C ATOM 1485 CG PRO A 108 15.579 4.310 27.018 1.00 62.52 C ATOM 1486 CD PRO A 108 15.958 5.656 27.571 1.00 72.41 C ATOM 0 HA PRO A 108 16.368 6.155 24.377 1.00 52.05 H new ATOM 0 HB2 PRO A 108 15.303 3.664 24.994 1.00 34.15 H new ATOM 0 HB3 PRO A 108 16.962 4.054 25.402 1.00 34.15 H new ATOM 0 HG2 PRO A 108 14.516 4.115 27.160 1.00 62.52 H new ATOM 0 HG3 PRO A 108 16.120 3.512 27.527 1.00 62.52 H new ATOM 0 HD2 PRO A 108 15.289 5.963 28.374 1.00 72.41 H new ATOM 0 HD3 PRO A 108 16.968 5.652 27.981 1.00 72.41 H new ATOM 1494 N CYS A 109 14.058 5.315 23.422 1.00 32.12 N ATOM 1495 CA CYS A 109 12.765 5.386 22.753 1.00 72.15 C ATOM 1496 C CYS A 109 11.738 4.503 23.456 1.00 24.23 C ATOM 1497 O CYS A 109 12.088 3.491 24.065 1.00 41.52 O ATOM 1498 CB CYS A 109 12.901 4.961 21.289 1.00 40.30 C ATOM 1499 SG CYS A 109 11.391 5.206 20.300 1.00 34.53 S ATOM 0 H CYS A 109 14.748 4.735 22.945 1.00 32.12 H new ATOM 0 HA CYS A 109 12.419 6.419 22.795 1.00 72.15 H new ATOM 0 HB2 CYS A 109 13.716 5.523 20.833 1.00 40.30 H new ATOM 0 HB3 CYS A 109 13.180 3.908 21.252 1.00 40.30 H new ATOM 1504 N TRP A 110 10.472 4.892 23.368 1.00 11.41 N ATOM 1505 CA TRP A 110 9.394 4.136 23.996 1.00 4.22 C ATOM 1506 C TRP A 110 8.264 3.876 23.007 1.00 33.00 C ATOM 1507 O TRP A 110 8.182 4.519 21.960 1.00 23.13 O ATOM 1508 CB TRP A 110 8.859 4.889 25.215 1.00 31.34 C ATOM 1509 CG TRP A 110 7.891 5.978 24.863 1.00 22.35 C ATOM 1510 CD1 TRP A 110 6.663 5.827 24.286 1.00 14.44 C ATOM 1511 CD2 TRP A 110 8.073 7.384 25.064 1.00 21.43 C ATOM 1512 NE1 TRP A 110 6.070 7.055 24.116 1.00 13.33 N ATOM 1513 CE2 TRP A 110 6.914 8.026 24.586 1.00 2.03 C ATOM 1514 CE3 TRP A 110 9.101 8.162 25.603 1.00 11.11 C ATOM 1515 CZ2 TRP A 110 6.758 9.409 24.631 1.00 70.22 C ATOM 1516 CZ3 TRP A 110 8.944 9.534 25.646 1.00 5.43 C ATOM 1517 CH2 TRP A 110 7.780 10.146 25.163 1.00 2.54 C ATOM 0 H TRP A 110 10.166 5.727 22.868 1.00 11.41 H new ATOM 0 HA TRP A 110 9.797 3.176 24.319 1.00 4.22 H new ATOM 0 HB2 TRP A 110 8.371 4.181 25.885 1.00 31.34 H new ATOM 0 HB3 TRP A 110 9.697 5.320 25.763 1.00 31.34 H new ATOM 0 HD1 TRP A 110 6.223 4.882 24.005 1.00 14.44 H new ATOM 0 HE1 TRP A 110 5.150 7.217 23.706 1.00 13.33 H new ATOM 0 HE3 TRP A 110 10.002 7.699 25.979 1.00 11.11 H new ATOM 0 HZ2 TRP A 110 5.862 9.883 24.259 1.00 70.22 H new ATOM 0 HZ3 TRP A 110 9.732 10.145 26.059 1.00 5.43 H new ATOM 0 HH2 TRP A 110 7.688 11.221 25.212 1.00 2.54 H new ATOM 1528 N ARG A 111 7.393 2.930 23.345 1.00 3.32 N ATOM 1529 CA ARG A 111 6.268 2.585 22.485 1.00 13.13 C ATOM 1530 C ARG A 111 4.942 2.912 23.167 1.00 24.44 C ATOM 1531 O ARG A 111 4.888 3.100 24.383 1.00 25.44 O ATOM 1532 CB ARG A 111 6.314 1.100 22.121 1.00 54.24 C ATOM 1533 CG ARG A 111 7.714 0.589 21.822 1.00 13.31 C ATOM 1534 CD ARG A 111 8.072 -0.599 22.701 1.00 61.03 C ATOM 1535 NE ARG A 111 7.796 -0.340 24.111 1.00 12.02 N ATOM 1536 CZ ARG A 111 8.641 0.287 24.923 1.00 75.45 C ATOM 1537 NH1 ARG A 111 9.808 0.716 24.465 1.00 5.44 N ATOM 1538 NH2 ARG A 111 8.317 0.485 26.194 1.00 22.11 N ATOM 0 H ARG A 111 7.445 2.389 24.208 1.00 3.32 H new ATOM 0 HA ARG A 111 6.344 3.178 21.574 1.00 13.13 H new ATOM 0 HB2 ARG A 111 5.892 0.520 22.942 1.00 54.24 H new ATOM 0 HB3 ARG A 111 5.680 0.928 21.251 1.00 54.24 H new ATOM 0 HG2 ARG A 111 7.781 0.300 20.773 1.00 13.31 H new ATOM 0 HG3 ARG A 111 8.436 1.390 21.979 1.00 13.31 H new ATOM 0 HD2 ARG A 111 7.508 -1.473 22.376 1.00 61.03 H new ATOM 0 HD3 ARG A 111 9.128 -0.837 22.576 1.00 61.03 H new ATOM 0 HE ARG A 111 6.906 -0.658 24.494 1.00 12.02 H new ATOM 0 HH11 ARG A 111 10.059 0.565 23.488 1.00 5.44 H new ATOM 0 HH12 ARG A 111 10.455 1.197 25.090 1.00 5.44 H new ATOM 0 HH21 ARG A 111 7.419 0.156 26.549 1.00 22.11 H new ATOM 0 HH22 ARG A 111 8.966 0.966 26.817 1.00 22.11 H new ATOM 1552 N CYS A 112 3.877 2.978 22.377 1.00 31.20 N ATOM 1553 CA CYS A 112 2.552 3.283 22.904 1.00 15.03 C ATOM 1554 C CYS A 112 2.138 2.263 23.960 1.00 23.11 C ATOM 1555 O CYS A 112 1.977 1.080 23.663 1.00 35.24 O ATOM 1556 CB CYS A 112 1.523 3.309 21.773 1.00 62.25 C ATOM 1557 SG CYS A 112 1.494 1.806 20.767 1.00 11.14 S ATOM 0 H CYS A 112 3.905 2.824 21.369 1.00 31.20 H new ATOM 0 HA CYS A 112 2.593 4.267 23.371 1.00 15.03 H new ATOM 0 HB2 CYS A 112 0.533 3.466 22.201 1.00 62.25 H new ATOM 0 HB3 CYS A 112 1.730 4.162 21.127 1.00 62.25 H new ATOM 0 HG CYS A 112 0.280 1.346 20.709 1.00 11.14 H new ATOM 1563 N GLU A 113 1.971 2.730 25.193 1.00 11.14 N ATOM 1564 CA GLU A 113 1.579 1.857 26.294 1.00 61.04 C ATOM 1565 C GLU A 113 0.081 1.571 26.254 1.00 14.34 C ATOM 1566 O GLU A 113 -0.668 2.224 25.527 1.00 61.04 O ATOM 1567 CB GLU A 113 1.954 2.491 27.635 1.00 33.51 C ATOM 1568 CG GLU A 113 3.414 2.304 28.010 1.00 63.23 C ATOM 1569 CD GLU A 113 3.667 1.000 28.741 1.00 32.14 C ATOM 1570 OE1 GLU A 113 2.704 0.225 28.921 1.00 71.01 O ATOM 1571 OE2 GLU A 113 4.826 0.754 29.135 1.00 42.44 O ATOM 0 H GLU A 113 2.101 3.707 25.455 1.00 11.14 H new ATOM 0 HA GLU A 113 2.114 0.914 26.185 1.00 61.04 H new ATOM 0 HB2 GLU A 113 1.731 3.557 27.598 1.00 33.51 H new ATOM 0 HB3 GLU A 113 1.329 2.061 28.418 1.00 33.51 H new ATOM 0 HG2 GLU A 113 4.024 2.334 27.107 1.00 63.23 H new ATOM 0 HG3 GLU A 113 3.733 3.136 28.638 1.00 63.23 H new ATOM 1721 N CYS A 123 -3.360 3.721 18.726 1.00 25.44 N ATOM 1722 CA CYS A 123 -1.931 3.931 18.521 1.00 62.33 C ATOM 1723 C CYS A 123 -1.324 2.788 17.713 1.00 51.34 C ATOM 1724 O CYS A 123 -2.042 1.961 17.152 1.00 21.15 O ATOM 1725 CB CYS A 123 -1.214 4.057 19.866 1.00 41.13 C ATOM 1726 SG CYS A 123 -2.166 4.931 21.130 1.00 2.13 S ATOM 0 HA CYS A 123 -1.802 4.857 17.961 1.00 62.33 H new ATOM 0 HB2 CYS A 123 -0.974 3.059 20.233 1.00 41.13 H new ATOM 0 HB3 CYS A 123 -0.268 4.577 19.714 1.00 41.13 H new ATOM 0 HG CYS A 123 -3.429 4.896 20.824 1.00 2.13 H new ATOM 1732 N GLY A 124 0.004 2.750 17.655 1.00 12.55 N ATOM 1733 CA GLY A 124 0.685 1.707 16.912 1.00 71.30 C ATOM 1734 C GLY A 124 1.848 1.112 17.681 1.00 74.50 C ATOM 1735 O GLY A 124 2.871 1.768 17.879 1.00 72.02 O ATOM 0 H GLY A 124 0.620 3.424 18.110 1.00 12.55 H new ATOM 0 HA2 GLY A 124 -0.025 0.918 16.666 1.00 71.30 H new ATOM 0 HA3 GLY A 124 1.048 2.115 15.969 1.00 71.30 H new ATOM 1739 N CYS A 125 1.691 -0.133 18.117 1.00 31.40 N ATOM 1740 CA CYS A 125 2.736 -0.816 18.871 1.00 32.55 C ATOM 1741 C CYS A 125 4.115 -0.491 18.307 1.00 31.21 C ATOM 1742 O CYS A 125 5.073 -0.302 19.056 1.00 60.13 O ATOM 1743 CB CYS A 125 2.505 -2.328 18.848 1.00 64.21 C ATOM 1744 SG CYS A 125 2.051 -2.980 17.224 1.00 73.40 S ATOM 0 H CYS A 125 0.851 -0.690 17.961 1.00 31.40 H new ATOM 0 HA CYS A 125 2.694 -0.465 19.902 1.00 32.55 H new ATOM 0 HB2 CYS A 125 3.412 -2.829 19.188 1.00 64.21 H new ATOM 0 HB3 CYS A 125 1.718 -2.575 19.560 1.00 64.21 H new ATOM 0 HG CYS A 125 1.478 -4.138 17.366 1.00 73.40 H new ATOM 1750 N GLU A 126 4.207 -0.429 16.982 1.00 21.54 N ATOM 1751 CA GLU A 126 5.470 -0.130 16.318 1.00 2.44 C ATOM 1752 C GLU A 126 5.355 1.139 15.478 1.00 4.01 C ATOM 1753 O GLU A 126 5.868 2.194 15.854 1.00 33.05 O ATOM 1754 CB GLU A 126 5.898 -1.303 15.434 1.00 4.14 C ATOM 1755 CG GLU A 126 6.983 -2.168 16.054 1.00 1.22 C ATOM 1756 CD GLU A 126 6.435 -3.443 16.665 1.00 52.21 C ATOM 1757 OE1 GLU A 126 6.173 -3.450 17.886 1.00 33.10 O ATOM 1758 OE2 GLU A 126 6.268 -4.433 15.923 1.00 40.14 O ATOM 0 H GLU A 126 3.423 -0.582 16.348 1.00 21.54 H new ATOM 0 HA GLU A 126 6.226 0.030 17.087 1.00 2.44 H new ATOM 0 HB2 GLU A 126 5.027 -1.924 15.222 1.00 4.14 H new ATOM 0 HB3 GLU A 126 6.255 -0.916 14.479 1.00 4.14 H new ATOM 0 HG2 GLU A 126 7.719 -2.422 15.292 1.00 1.22 H new ATOM 0 HG3 GLU A 126 7.504 -1.596 16.822 1.00 1.22 H new ATOM 1765 N CYS A 127 4.681 1.028 14.339 1.00 31.02 N ATOM 1766 CA CYS A 127 4.500 2.165 13.444 1.00 15.20 C ATOM 1767 C CYS A 127 3.753 1.749 12.181 1.00 54.20 C ATOM 1768 O CYS A 127 3.571 0.560 11.918 1.00 11.44 O ATOM 1769 CB CYS A 127 5.854 2.771 13.074 1.00 63.41 C ATOM 1770 SG CYS A 127 6.681 1.942 11.696 1.00 43.12 S ATOM 0 H CYS A 127 4.251 0.162 14.013 1.00 31.02 H new ATOM 0 HA CYS A 127 3.906 2.915 13.966 1.00 15.20 H new ATOM 0 HB2 CYS A 127 5.713 3.822 12.820 1.00 63.41 H new ATOM 0 HB3 CYS A 127 6.505 2.739 13.947 1.00 63.41 H new ATOM 0 HG CYS A 127 7.616 2.712 11.225 1.00 43.12 H new ATOM 1776 N SER A 128 3.320 2.736 11.403 1.00 3.50 N ATOM 1777 CA SER A 128 2.588 2.473 10.170 1.00 52.21 C ATOM 1778 C SER A 128 3.457 2.763 8.950 1.00 74.44 C ATOM 1779 O SER A 128 4.614 3.163 9.077 1.00 31.22 O ATOM 1780 CB SER A 128 1.315 3.321 10.117 1.00 64.01 C ATOM 1781 OG SER A 128 0.344 2.730 9.271 1.00 33.05 O ATOM 0 H SER A 128 3.464 3.725 11.605 1.00 3.50 H new ATOM 0 HA SER A 128 2.314 1.418 10.157 1.00 52.21 H new ATOM 0 HB2 SER A 128 0.907 3.433 11.121 1.00 64.01 H new ATOM 0 HB3 SER A 128 1.555 4.321 9.757 1.00 64.01 H new ATOM 0 HG SER A 128 -0.460 3.290 9.255 1.00 33.05 H new ATOM 1787 N LYS A 129 2.890 2.557 7.766 1.00 53.24 N ATOM 1788 CA LYS A 129 3.609 2.796 6.520 1.00 5.34 C ATOM 1789 C LYS A 129 3.563 4.273 6.140 1.00 71.31 C ATOM 1790 O LYS A 129 3.107 4.630 5.053 1.00 41.12 O ATOM 1791 CB LYS A 129 3.015 1.949 5.393 1.00 41.20 C ATOM 1792 CG LYS A 129 3.786 2.046 4.088 1.00 24.21 C ATOM 1793 CD LYS A 129 2.879 2.427 2.931 1.00 52.53 C ATOM 1794 CE LYS A 129 3.264 1.695 1.655 1.00 63.41 C ATOM 1795 NZ LYS A 129 3.480 2.634 0.520 1.00 64.34 N ATOM 0 H LYS A 129 1.934 2.225 7.643 1.00 53.24 H new ATOM 0 HA LYS A 129 4.650 2.510 6.670 1.00 5.34 H new ATOM 0 HB2 LYS A 129 2.984 0.907 5.711 1.00 41.20 H new ATOM 0 HB3 LYS A 129 1.985 2.260 5.221 1.00 41.20 H new ATOM 0 HG2 LYS A 129 4.580 2.786 4.188 1.00 24.21 H new ATOM 0 HG3 LYS A 129 4.266 1.090 3.876 1.00 24.21 H new ATOM 0 HD2 LYS A 129 1.845 2.195 3.187 1.00 52.53 H new ATOM 0 HD3 LYS A 129 2.933 3.503 2.765 1.00 52.53 H new ATOM 0 HE2 LYS A 129 4.173 1.119 1.827 1.00 63.41 H new ATOM 0 HE3 LYS A 129 2.480 0.984 1.394 1.00 63.41 H new ATOM 0 HZ1 LYS A 129 3.741 2.096 -0.331 1.00 64.34 H new ATOM 0 HZ2 LYS A 129 2.605 3.166 0.339 1.00 64.34 H new ATOM 0 HZ3 LYS A 129 4.245 3.297 0.758 1.00 64.34 H new ATOM 1809 N LEU A 130 4.038 5.126 7.040 1.00 0.12 N ATOM 1810 CA LEU A 130 4.052 6.565 6.798 1.00 21.40 C ATOM 1811 C LEU A 130 5.481 7.097 6.762 1.00 61.22 C ATOM 1812 O LEU A 130 6.417 6.468 7.257 1.00 15.24 O ATOM 1813 CB LEU A 130 3.252 7.292 7.880 1.00 23.34 C ATOM 1814 CG LEU A 130 1.740 7.364 7.663 1.00 24.14 C ATOM 1815 CD1 LEU A 130 1.417 8.188 6.427 1.00 3.41 C ATOM 1816 CD2 LEU A 130 1.152 5.966 7.543 1.00 34.22 C ATOM 0 H LEU A 130 4.419 4.847 7.944 1.00 0.12 H new ATOM 0 HA LEU A 130 3.590 6.750 5.828 1.00 21.40 H new ATOM 0 HB2 LEU A 130 3.439 6.800 8.834 1.00 23.34 H new ATOM 0 HB3 LEU A 130 3.635 8.309 7.966 1.00 23.34 H new ATOM 0 HG LEU A 130 1.291 7.853 8.528 1.00 24.14 H new ATOM 0 HD11 LEU A 130 0.337 8.228 6.289 1.00 3.41 H new ATOM 0 HD12 LEU A 130 1.805 9.199 6.552 1.00 3.41 H new ATOM 0 HD13 LEU A 130 1.878 7.728 5.553 1.00 3.41 H new ATOM 0 HD21 LEU A 130 0.075 6.036 7.389 1.00 34.22 H new ATOM 0 HD22 LEU A 130 1.607 5.451 6.697 1.00 34.22 H new ATOM 0 HD23 LEU A 130 1.352 5.407 8.457 1.00 34.22 H new ATOM 1828 N PRO A 131 5.656 8.284 6.163 1.00 14.31 N ATOM 1829 CA PRO A 131 6.967 8.929 6.050 1.00 23.14 C ATOM 1830 C PRO A 131 7.489 9.420 7.396 1.00 2.42 C ATOM 1831 O PRO A 131 8.695 9.581 7.585 1.00 44.23 O ATOM 1832 CB PRO A 131 6.702 10.111 5.115 1.00 3.53 C ATOM 1833 CG PRO A 131 5.253 10.411 5.284 1.00 33.44 C ATOM 1834 CD PRO A 131 4.586 9.090 5.551 1.00 74.54 C ATOM 0 HA PRO A 131 7.729 8.241 5.684 1.00 23.14 H new ATOM 0 HB2 PRO A 131 7.318 10.971 5.380 1.00 3.53 H new ATOM 0 HB3 PRO A 131 6.936 9.858 4.081 1.00 3.53 H new ATOM 0 HG2 PRO A 131 5.091 11.104 6.110 1.00 33.44 H new ATOM 0 HG3 PRO A 131 4.845 10.881 4.389 1.00 33.44 H new ATOM 0 HD2 PRO A 131 3.732 9.199 6.220 1.00 74.54 H new ATOM 0 HD3 PRO A 131 4.215 8.634 4.633 1.00 74.54 H new ATOM 1842 N CYS A 132 6.574 9.657 8.330 1.00 52.42 N ATOM 1843 CA CYS A 132 6.941 10.131 9.659 1.00 61.32 C ATOM 1844 C CYS A 132 7.806 9.103 10.383 1.00 73.43 C ATOM 1845 O CYS A 132 8.955 8.871 10.010 1.00 30.43 O ATOM 1846 CB CYS A 132 5.686 10.428 10.482 1.00 42.20 C ATOM 1847 SG CYS A 132 6.004 11.370 12.008 1.00 2.24 S ATOM 0 H CYS A 132 5.572 9.528 8.191 1.00 52.42 H new ATOM 0 HA CYS A 132 7.517 11.049 9.544 1.00 61.32 H new ATOM 0 HB2 CYS A 132 4.982 10.985 9.864 1.00 42.20 H new ATOM 0 HB3 CYS A 132 5.204 9.486 10.743 1.00 42.20 H new ATOM 1852 N ASN A 133 7.243 8.490 11.419 1.00 24.43 N ATOM 1853 CA ASN A 133 7.963 7.486 12.196 1.00 15.31 C ATOM 1854 C ASN A 133 9.190 6.989 11.439 1.00 71.24 C ATOM 1855 O ASN A 133 9.094 6.577 10.282 1.00 33.24 O ATOM 1856 CB ASN A 133 7.041 6.310 12.526 1.00 65.01 C ATOM 1857 CG ASN A 133 7.178 5.173 11.532 1.00 31.53 C ATOM 1858 OD1 ASN A 133 8.179 4.455 11.526 1.00 15.34 O ATOM 1859 ND2 ASN A 133 6.169 5.003 10.685 1.00 23.13 N ATOM 0 H ASN A 133 6.292 8.670 11.740 1.00 24.43 H new ATOM 0 HA ASN A 133 8.296 7.950 13.125 1.00 15.31 H new ATOM 0 HB2 ASN A 133 7.268 5.943 13.527 1.00 65.01 H new ATOM 0 HB3 ASN A 133 6.007 6.655 12.540 1.00 65.01 H new ATOM 0 HD21 ASN A 133 6.204 4.254 9.994 1.00 23.13 H new ATOM 0 HD22 ASN A 133 5.359 5.622 10.726 1.00 23.13 H new ATOM 2085 N ASP A 149 7.638 6.771 15.833 1.00 73.52 N ATOM 2086 CA ASP A 149 6.637 7.656 15.249 1.00 42.31 C ATOM 2087 C ASP A 149 6.514 8.944 16.057 1.00 41.52 C ATOM 2088 O ASP A 149 7.030 9.043 17.170 1.00 1.24 O ATOM 2089 CB ASP A 149 5.281 6.952 15.178 1.00 1.51 C ATOM 2090 CG ASP A 149 5.350 5.514 15.652 1.00 50.01 C ATOM 2091 OD1 ASP A 149 4.670 5.183 16.646 1.00 10.20 O ATOM 2092 OD2 ASP A 149 6.083 4.719 15.028 1.00 22.21 O ATOM 0 HA ASP A 149 6.958 7.911 14.239 1.00 42.31 H new ATOM 0 HB2 ASP A 149 4.559 7.498 15.786 1.00 1.51 H new ATOM 0 HB3 ASP A 149 4.916 6.976 14.151 1.00 1.51 H new ATOM 2097 N CYS A 150 5.828 9.930 15.488 1.00 1.20 N ATOM 2098 CA CYS A 150 5.638 11.213 16.153 1.00 11.35 C ATOM 2099 C CYS A 150 4.310 11.245 16.904 1.00 13.21 C ATOM 2100 O CYS A 150 3.261 10.920 16.347 1.00 12.33 O ATOM 2101 CB CYS A 150 5.687 12.353 15.134 1.00 64.34 C ATOM 2102 SG CYS A 150 4.696 12.053 13.635 1.00 62.31 S ATOM 0 H CYS A 150 5.394 9.864 14.567 1.00 1.20 H new ATOM 0 HA CYS A 150 6.446 11.343 16.873 1.00 11.35 H new ATOM 0 HB2 CYS A 150 5.336 13.268 15.611 1.00 64.34 H new ATOM 0 HB3 CYS A 150 6.724 12.522 14.843 1.00 64.34 H new ATOM 2107 N LYS A 151 4.362 11.639 18.172 1.00 44.41 N ATOM 2108 CA LYS A 151 3.165 11.716 19.000 1.00 11.12 C ATOM 2109 C LYS A 151 3.389 12.634 20.198 1.00 44.15 C ATOM 2110 O LYS A 151 3.275 13.855 20.087 1.00 11.33 O ATOM 2111 CB LYS A 151 2.763 10.320 19.483 1.00 42.35 C ATOM 2112 CG LYS A 151 2.056 9.491 18.424 1.00 3.23 C ATOM 2113 CD LYS A 151 2.967 8.415 17.859 1.00 63.42 C ATOM 2114 CE LYS A 151 2.209 7.468 16.942 1.00 75.51 C ATOM 2115 NZ LYS A 151 2.226 6.069 17.452 1.00 21.42 N ATOM 0 H LYS A 151 5.222 11.910 18.649 1.00 44.41 H new ATOM 0 HA LYS A 151 2.360 12.130 18.393 1.00 11.12 H new ATOM 0 HB2 LYS A 151 3.655 9.788 19.813 1.00 42.35 H new ATOM 0 HB3 LYS A 151 2.111 10.419 20.351 1.00 42.35 H new ATOM 0 HG2 LYS A 151 1.169 9.028 18.855 1.00 3.23 H new ATOM 0 HG3 LYS A 151 1.716 10.142 17.618 1.00 3.23 H new ATOM 0 HD2 LYS A 151 3.784 8.881 17.308 1.00 63.42 H new ATOM 0 HD3 LYS A 151 3.415 7.850 18.676 1.00 63.42 H new ATOM 0 HE2 LYS A 151 1.177 7.806 16.844 1.00 75.51 H new ATOM 0 HE3 LYS A 151 2.650 7.497 15.946 1.00 75.51 H new ATOM 0 HZ1 LYS A 151 1.713 5.452 16.790 1.00 21.42 H new ATOM 0 HZ2 LYS A 151 3.210 5.743 17.538 1.00 21.42 H new ATOM 0 HZ3 LYS A 151 1.767 6.034 18.384 1.00 21.42 H new ATOM 2129 N THR A 152 3.711 12.039 21.342 1.00 63.11 N ATOM 2130 CA THR A 152 3.952 12.803 22.559 1.00 23.14 C ATOM 2131 C THR A 152 5.409 13.242 22.654 1.00 51.24 C ATOM 2132 O THR A 152 5.945 13.415 23.749 1.00 62.25 O ATOM 2133 CB THR A 152 3.592 11.987 23.815 1.00 13.02 C ATOM 2134 OG1 THR A 152 3.912 10.606 23.611 1.00 11.41 O ATOM 2135 CG2 THR A 152 2.113 12.127 24.145 1.00 23.42 C ATOM 0 H THR A 152 3.811 11.030 21.451 1.00 63.11 H new ATOM 0 HA THR A 152 3.312 13.684 22.510 1.00 23.14 H new ATOM 0 HB THR A 152 4.173 12.374 24.652 1.00 13.02 H new ATOM 0 HG1 THR A 152 3.682 10.095 24.415 1.00 11.41 H new ATOM 0 HG21 THR A 152 1.882 11.542 25.035 1.00 23.42 H new ATOM 0 HG22 THR A 152 1.879 13.176 24.329 1.00 23.42 H new ATOM 0 HG23 THR A 152 1.517 11.763 23.308 1.00 23.42 H new ATOM 2143 N ILE A 153 6.044 13.422 21.500 1.00 15.02 N ATOM 2144 CA ILE A 153 7.438 13.843 21.454 1.00 42.32 C ATOM 2145 C ILE A 153 7.746 14.848 22.559 1.00 61.20 C ATOM 2146 O ILE A 153 6.874 15.606 22.985 1.00 4.13 O ATOM 2147 CB ILE A 153 7.792 14.470 20.092 1.00 12.53 C ATOM 2148 CG1 ILE A 153 9.186 15.099 20.142 1.00 30.24 C ATOM 2149 CG2 ILE A 153 6.751 15.509 19.701 1.00 32.40 C ATOM 2150 CD1 ILE A 153 9.862 15.177 18.792 1.00 64.03 C ATOM 0 H ILE A 153 5.615 13.283 20.585 1.00 15.02 H new ATOM 0 HA ILE A 153 8.043 12.948 21.601 1.00 42.32 H new ATOM 0 HB ILE A 153 7.795 13.684 19.337 1.00 12.53 H new ATOM 0 HG12 ILE A 153 9.108 16.103 20.559 1.00 30.24 H new ATOM 0 HG13 ILE A 153 9.813 14.520 20.820 1.00 30.24 H new ATOM 0 HG21 ILE A 153 7.015 15.943 18.737 1.00 32.40 H new ATOM 0 HG22 ILE A 153 5.772 15.035 19.630 1.00 32.40 H new ATOM 0 HG23 ILE A 153 6.719 16.294 20.456 1.00 32.40 H new ATOM 0 HD11 ILE A 153 10.846 15.633 18.903 1.00 64.03 H new ATOM 0 HD12 ILE A 153 9.972 14.173 18.382 1.00 64.03 H new ATOM 0 HD13 ILE A 153 9.256 15.781 18.116 1.00 64.03 H new ATOM 2268 N TYR A 162 8.442 15.117 27.515 1.00 73.44 N ATOM 2269 CA TYR A 162 7.280 14.747 26.715 1.00 13.20 C ATOM 2270 C TYR A 162 6.307 15.916 26.596 1.00 54.14 C ATOM 2271 O TYR A 162 5.976 16.568 27.587 1.00 43.12 O ATOM 2272 CB TYR A 162 6.572 13.541 27.333 1.00 35.34 C ATOM 2273 CG TYR A 162 5.831 13.863 28.612 1.00 72.14 C ATOM 2274 CD1 TYR A 162 4.445 13.779 28.674 1.00 2.44 C ATOM 2275 CD2 TYR A 162 6.516 14.252 29.756 1.00 70.11 C ATOM 2276 CE1 TYR A 162 3.764 14.073 29.840 1.00 51.53 C ATOM 2277 CE2 TYR A 162 5.843 14.546 30.926 1.00 42.41 C ATOM 2278 CZ TYR A 162 4.467 14.456 30.963 1.00 44.02 C ATOM 2279 OH TYR A 162 3.793 14.750 32.126 1.00 64.01 O ATOM 0 HA TYR A 162 7.627 14.483 25.716 1.00 13.20 H new ATOM 0 HB2 TYR A 162 5.868 13.133 26.608 1.00 35.34 H new ATOM 0 HB3 TYR A 162 7.308 12.763 27.535 1.00 35.34 H new ATOM 0 HD1 TYR A 162 3.891 13.479 27.797 1.00 2.44 H new ATOM 0 HD2 TYR A 162 7.593 14.326 29.730 1.00 70.11 H new ATOM 0 HE1 TYR A 162 2.687 14.003 29.872 1.00 51.53 H new ATOM 0 HE2 TYR A 162 6.391 14.845 31.807 1.00 42.41 H new ATOM 0 HH TYR A 162 4.436 15.001 32.822 1.00 64.01 H new ATOM 2289 N HIS A 163 5.850 16.175 25.374 1.00 1.24 N ATOM 2290 CA HIS A 163 4.913 17.265 25.124 1.00 63.35 C ATOM 2291 C HIS A 163 3.725 17.190 26.077 1.00 31.24 C ATOM 2292 O HIS A 163 3.571 18.034 26.960 1.00 32.21 O ATOM 2293 CB HIS A 163 4.424 17.221 23.676 1.00 54.32 C ATOM 2294 CG HIS A 163 5.280 18.006 22.730 1.00 21.40 C ATOM 2295 ND1 HIS A 163 6.604 18.298 22.980 1.00 65.44 N ATOM 2296 CD2 HIS A 163 4.995 18.558 21.528 1.00 53.41 C ATOM 2297 CE1 HIS A 163 7.096 18.997 21.973 1.00 41.42 C ATOM 2298 NE2 HIS A 163 6.140 19.169 21.078 1.00 35.13 N ATOM 0 H HIS A 163 6.113 15.646 24.543 1.00 1.24 H new ATOM 0 HA HIS A 163 5.434 18.207 25.296 1.00 63.35 H new ATOM 0 HB2 HIS A 163 4.388 16.183 23.345 1.00 54.32 H new ATOM 0 HB3 HIS A 163 3.404 17.604 23.634 1.00 54.32 H new ATOM 0 HD2 HIS A 163 4.044 18.524 21.017 1.00 53.41 H new ATOM 0 HE1 HIS A 163 8.108 19.365 21.895 1.00 41.42 H new ATOM 0 HE2 HIS A 163 6.236 19.673 20.197 1.00 35.13 H new ATOM 2306 N SER A 164 2.887 16.174 25.893 1.00 41.52 N ATOM 2307 CA SER A 164 1.710 15.992 26.734 1.00 51.11 C ATOM 2308 C SER A 164 1.213 14.551 26.667 1.00 13.35 C ATOM 2309 O SER A 164 1.995 13.621 26.470 1.00 1.21 O ATOM 2310 CB SER A 164 0.596 16.948 26.303 1.00 1.30 C ATOM 2311 OG SER A 164 -0.264 17.251 27.388 1.00 71.03 O ATOM 0 H SER A 164 3.002 15.465 25.169 1.00 41.52 H new ATOM 0 HA SER A 164 1.991 16.214 27.763 1.00 51.11 H new ATOM 0 HB2 SER A 164 1.032 17.868 25.913 1.00 1.30 H new ATOM 0 HB3 SER A 164 0.021 16.500 25.493 1.00 1.30 H new ATOM 0 HG SER A 164 -0.966 17.865 27.087 1.00 71.03 H new ATOM 2317 N TYR A 165 -0.093 14.375 26.834 1.00 72.32 N ATOM 2318 CA TYR A 165 -0.696 13.048 26.796 1.00 71.35 C ATOM 2319 C TYR A 165 -1.903 13.024 25.862 1.00 1.24 C ATOM 2320 O TYR A 165 -2.890 13.723 26.090 1.00 60.31 O ATOM 2321 CB TYR A 165 -1.116 12.614 28.201 1.00 2.52 C ATOM 2322 CG TYR A 165 -2.045 13.592 28.884 1.00 0.51 C ATOM 2323 CD1 TYR A 165 -1.553 14.748 29.479 1.00 34.01 C ATOM 2324 CD2 TYR A 165 -3.414 13.361 28.935 1.00 21.23 C ATOM 2325 CE1 TYR A 165 -2.398 15.644 30.105 1.00 54.22 C ATOM 2326 CE2 TYR A 165 -4.266 14.252 29.557 1.00 14.14 C ATOM 2327 CZ TYR A 165 -3.754 15.392 30.141 1.00 40.11 C ATOM 2328 OH TYR A 165 -4.600 16.282 30.763 1.00 63.41 O ATOM 0 H TYR A 165 -0.754 15.134 26.997 1.00 72.32 H new ATOM 0 HA TYR A 165 0.049 12.350 26.415 1.00 71.35 H new ATOM 0 HB2 TYR A 165 -1.606 11.642 28.141 1.00 2.52 H new ATOM 0 HB3 TYR A 165 -0.224 12.484 28.814 1.00 2.52 H new ATOM 0 HD1 TYR A 165 -0.492 14.949 29.451 1.00 34.01 H new ATOM 0 HD2 TYR A 165 -3.819 12.469 28.480 1.00 21.23 H new ATOM 0 HE1 TYR A 165 -1.999 16.537 30.564 1.00 54.22 H new ATOM 0 HE2 TYR A 165 -5.328 14.057 29.586 1.00 14.14 H new ATOM 0 HH TYR A 165 -5.522 15.957 30.698 1.00 63.41 H new ATOM 2338 N GLU A 166 -1.815 12.215 24.812 1.00 63.43 N ATOM 2339 CA GLU A 166 -2.899 12.100 23.844 1.00 60.34 C ATOM 2340 C GLU A 166 -2.674 10.912 22.913 1.00 65.15 C ATOM 2341 O GLU A 166 -1.686 10.190 23.040 1.00 24.42 O ATOM 2342 CB GLU A 166 -3.021 13.387 23.026 1.00 44.05 C ATOM 2343 CG GLU A 166 -4.396 14.028 23.100 1.00 74.44 C ATOM 2344 CD GLU A 166 -4.331 15.529 23.299 1.00 42.44 C ATOM 2345 OE1 GLU A 166 -3.980 15.964 24.416 1.00 50.45 O ATOM 2346 OE2 GLU A 166 -4.630 16.269 22.338 1.00 11.44 O ATOM 0 H GLU A 166 -1.005 11.630 24.610 1.00 63.43 H new ATOM 0 HA GLU A 166 -3.826 11.938 24.394 1.00 60.34 H new ATOM 0 HB2 GLU A 166 -2.277 14.102 23.377 1.00 44.05 H new ATOM 0 HB3 GLU A 166 -2.787 13.169 21.984 1.00 44.05 H new ATOM 0 HG2 GLU A 166 -4.944 13.810 22.183 1.00 74.44 H new ATOM 0 HG3 GLU A 166 -4.957 13.581 23.920 1.00 74.44 H new ATOM 2353 N GLU A 167 -3.598 10.717 21.977 1.00 23.10 N ATOM 2354 CA GLU A 167 -3.500 9.616 21.026 1.00 53.13 C ATOM 2355 C GLU A 167 -3.547 10.132 19.590 1.00 22.22 C ATOM 2356 O GLU A 167 -4.599 10.125 18.951 1.00 63.45 O ATOM 2357 CB GLU A 167 -4.632 8.612 21.256 1.00 51.44 C ATOM 2358 CG GLU A 167 -4.489 7.817 22.543 1.00 43.55 C ATOM 2359 CD GLU A 167 -5.087 8.531 23.739 1.00 53.30 C ATOM 2360 OE1 GLU A 167 -5.018 7.976 24.856 1.00 55.23 O ATOM 2361 OE2 GLU A 167 -5.624 9.644 23.559 1.00 15.00 O ATOM 0 H GLU A 167 -4.422 11.306 21.857 1.00 23.10 H new ATOM 0 HA GLU A 167 -2.544 9.117 21.184 1.00 53.13 H new ATOM 0 HB2 GLU A 167 -5.582 9.146 21.273 1.00 51.44 H new ATOM 0 HB3 GLU A 167 -4.670 7.921 20.414 1.00 51.44 H new ATOM 0 HG2 GLU A 167 -4.974 6.848 22.423 1.00 43.55 H new ATOM 0 HG3 GLU A 167 -3.433 7.624 22.731 1.00 43.55 H new ATOM 2368 N ASP A 168 -2.400 10.579 19.091 1.00 2.13 N ATOM 2369 CA ASP A 168 -2.308 11.098 17.732 1.00 53.34 C ATOM 2370 C ASP A 168 -0.872 11.034 17.221 1.00 72.21 C ATOM 2371 O ASP A 168 0.057 11.477 17.894 1.00 43.00 O ATOM 2372 CB ASP A 168 -2.818 12.539 17.678 1.00 44.52 C ATOM 2373 CG ASP A 168 -4.297 12.619 17.357 1.00 51.02 C ATOM 2374 OD1 ASP A 168 -5.098 12.819 18.294 1.00 11.11 O ATOM 2375 OD2 ASP A 168 -4.654 12.482 16.168 1.00 11.12 O ATOM 0 H ASP A 168 -1.521 10.592 19.608 1.00 2.13 H new ATOM 0 HA ASP A 168 -2.931 10.476 17.089 1.00 53.34 H new ATOM 0 HB2 ASP A 168 -2.631 13.024 18.636 1.00 44.52 H new ATOM 0 HB3 ASP A 168 -2.256 13.092 16.926 1.00 44.52 H new ATOM 2380 N GLY A 169 -0.699 10.477 16.026 1.00 43.12 N ATOM 2381 CA GLY A 169 0.627 10.364 15.446 1.00 73.52 C ATOM 2382 C GLY A 169 0.600 9.769 14.052 1.00 44.35 C ATOM 2383 O GLY A 169 -0.208 10.169 13.214 1.00 72.24 O ATOM 0 H GLY A 169 -1.453 10.102 15.450 1.00 43.12 H new ATOM 0 HA2 GLY A 169 1.089 11.350 15.408 1.00 73.52 H new ATOM 0 HA3 GLY A 169 1.251 9.744 16.090 1.00 73.52 H new