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 85 HIS : no HE2:sc= 0.618 K(o=0.49,f=-6.5!) USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= -0.129 USER MOD Set 2.1: A 75 HIS : no HD1:sc= -7.3! C(o=-14!,f=-23!) USER MOD Set 2.2: A 100 HIS :FLIP no HE2:sc= -7.63! F(o=-15,f=-14!) USER MOD Set 2.3: A 112 CYS SG : rot -169:sc= 0.946 USER MOD Set 3.1: A 24 ASN : amide:sc= 0.00052 X(o=-5.4,f=-5.4) USER MOD Set 3.2: A 53 ASN :FLIP amide:sc= -5.39! C(o=-8.8!,f=-5.4!) USER MOD Set 4.1: A 25 CYS SG : rot -52:sc= -0.231 USER MOD Set 4.2: A 45 HIS : no HD1:sc= -7.69! C(o=-7.9!,f=-7.5!) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -1.39 K(o=-2.6,f=-16!) USER MOD Set 5.2: A 21 ASN :FLIP amide:sc= 0.687! C(o=-7.8!,f=-2.6!) USER MOD Set 5.3: A 128 SER OG : rot -110:sc= -1.89! USER MOD Single : A 18 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 26 SER OG : rot 50:sc= 0.28 USER MOD Single : A 27 CYS SG : rot 45:sc= 0.851 USER MOD Single : A 28 ASN : amide:sc= -2.04 K(o=-2,f=-2.8) USER MOD Single : A 29 CYS SG : rot -46:sc= 0.183 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 50 CYS SG : rot 180:sc= 0.0325 USER MOD Single : A 54 ASN :FLIP amide:sc= 0.451 F(o=-2.5!,f=0.45) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.729 USER MOD Single : A 66 ASN :FLIP amide:sc= -16.4! C(o=-18!,f=-16!) USER MOD Single : A 69 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-4.6!) USER MOD Single : A 71 CYS SG : rot 46:sc= -0.137 USER MOD Single : A 72 HIS : no HE2:sc= -1.77 K(o=-1.7,f=-7.9!) USER MOD Single : A 73 HIS : no HD1:sc= -3.55 K(o=-3.6,f=-6.7!) USER MOD Single : A 74 CYS SG : rot 88:sc= -0.0407 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0844 X(o=-0.084,f=-0.35) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 69:sc= 0.548 USER MOD Single : A 88 CYS SG : rot -138:sc= 0.147 USER MOD Single : A 99 THR OG1 : rot -4:sc= 0.602 USER MOD Single : A 104 THR OG1 : rot 92:sc= -0.254 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 CYS SG : rot 120:sc= -0.0113 USER MOD Single : A 125 CYS SG : rot 35:sc= 0.765 USER MOD Single : A 127 CYS SG : rot 57:sc= -0.226 USER MOD Single : A 129 LYS NZ :NH3+ -124:sc= -0.132 (180deg=-2.16!) USER MOD Single : A 133 ASN : amide:sc= 0.0268 K(o=0.027,f=-0.81) USER MOD Single : A 151 LYS NZ :NH3+ -133:sc= -0.599 (180deg=-3.61) USER MOD Single : A 152 THR OG1 : rot 101:sc= 1.23 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-1.2) USER MOD Single : A 164 SER OG : rot 180:sc= 0.187 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 3.741 -2.457 4.938 1.00 44.51 N ATOM 217 CA HIS A 17 3.511 -2.857 6.321 1.00 15.45 C ATOM 218 C HIS A 17 4.692 -3.659 6.859 1.00 13.44 C ATOM 219 O HIS A 17 5.583 -4.050 6.105 1.00 22.54 O ATOM 220 CB HIS A 17 2.228 -3.682 6.429 1.00 53.44 C ATOM 221 CG HIS A 17 1.465 -3.441 7.695 1.00 21.41 C ATOM 222 ND1 HIS A 17 1.688 -4.154 8.855 1.00 42.35 N ATOM 223 CD2 HIS A 17 0.478 -2.560 7.981 1.00 64.03 C ATOM 224 CE1 HIS A 17 0.870 -3.722 9.798 1.00 64.20 C ATOM 225 NE2 HIS A 17 0.126 -2.755 9.294 1.00 51.34 N ATOM 0 HA HIS A 17 3.405 -1.953 6.921 1.00 15.45 H new ATOM 0 HB2 HIS A 17 1.586 -3.453 5.578 1.00 53.44 H new ATOM 0 HB3 HIS A 17 2.480 -4.740 6.362 1.00 53.44 H new ATOM 0 HD2 HIS A 17 0.047 -1.838 7.303 1.00 64.03 H new ATOM 0 HE1 HIS A 17 0.819 -4.096 10.810 1.00 64.20 H new ATOM 0 HE2 HIS A 17 -0.594 -2.237 9.798 1.00 51.34 H new ATOM 233 N CYS A 18 4.692 -3.898 8.166 1.00 73.10 N ATOM 234 CA CYS A 18 5.764 -4.652 8.805 1.00 24.11 C ATOM 235 C CYS A 18 5.551 -4.729 10.313 1.00 0.03 C ATOM 236 O CYS A 18 4.428 -4.915 10.783 1.00 63.31 O ATOM 237 CB CYS A 18 7.119 -4.010 8.501 1.00 14.44 C ATOM 238 SG CYS A 18 7.172 -2.226 8.794 1.00 75.04 S ATOM 0 H CYS A 18 3.962 -3.580 8.803 1.00 73.10 H new ATOM 0 HA CYS A 18 5.752 -5.665 8.403 1.00 24.11 H new ATOM 0 HB2 CYS A 18 7.882 -4.491 9.113 1.00 14.44 H new ATOM 0 HB3 CYS A 18 7.376 -4.204 7.460 1.00 14.44 H new ATOM 0 HG CYS A 18 8.358 -1.775 8.511 1.00 75.04 H new ATOM 244 N ASP A 19 6.636 -4.586 11.067 1.00 74.01 N ATOM 245 CA ASP A 19 6.568 -4.640 12.523 1.00 52.24 C ATOM 246 C ASP A 19 6.203 -6.043 12.998 1.00 5.21 C ATOM 247 O ASP A 19 6.901 -7.011 12.698 1.00 21.13 O ATOM 248 CB ASP A 19 5.545 -3.629 13.045 1.00 61.35 C ATOM 249 CG ASP A 19 5.995 -2.195 12.845 1.00 33.25 C ATOM 250 OD1 ASP A 19 5.234 -1.414 12.237 1.00 51.40 O ATOM 251 OD2 ASP A 19 7.107 -1.854 13.299 1.00 31.30 O ATOM 0 H ASP A 19 7.573 -4.432 10.694 1.00 74.01 H new ATOM 0 HA ASP A 19 7.552 -4.387 12.918 1.00 52.24 H new ATOM 0 HB2 ASP A 19 4.594 -3.783 12.535 1.00 61.35 H new ATOM 0 HB3 ASP A 19 5.371 -3.808 14.106 1.00 61.35 H new ATOM 256 N ALA A 20 5.107 -6.144 13.742 1.00 12.31 N ATOM 257 CA ALA A 20 4.649 -7.428 14.258 1.00 5.23 C ATOM 258 C ALA A 20 4.697 -8.503 13.178 1.00 45.45 C ATOM 259 O ALA A 20 5.034 -9.654 13.449 1.00 32.30 O ATOM 260 CB ALA A 20 3.240 -7.300 14.816 1.00 32.54 C ATOM 0 H ALA A 20 4.519 -5.352 14.001 1.00 12.31 H new ATOM 0 HA ALA A 20 5.321 -7.729 15.062 1.00 5.23 H new ATOM 0 HB1 ALA A 20 2.911 -8.266 15.198 1.00 32.54 H new ATOM 0 HB2 ALA A 20 3.234 -6.569 15.625 1.00 32.54 H new ATOM 0 HB3 ALA A 20 2.564 -6.973 14.026 1.00 32.54 H new ATOM 266 N ASN A 21 4.358 -8.118 11.951 1.00 1.24 N ATOM 267 CA ASN A 21 4.361 -9.050 10.830 1.00 45.24 C ATOM 268 C ASN A 21 5.638 -8.906 10.007 1.00 25.41 C ATOM 269 O ASN A 21 6.120 -9.871 9.415 1.00 34.50 O ATOM 270 CB ASN A 21 3.139 -8.814 9.940 1.00 43.31 C ATOM 271 CG ASN A 21 2.709 -7.360 9.922 1.00 3.52 C ATOM 272 OD1 ASN A 21 2.420 -6.814 11.098 1.00 41.41 O flip ATOM 273 ND2 ASN A 21 2.638 -6.735 8.864 1.00 44.22 N flip ATOM 0 H ASN A 21 4.078 -7.168 11.709 1.00 1.24 H new ATOM 0 HA ASN A 21 4.320 -10.063 11.231 1.00 45.24 H new ATOM 0 HB2 ASN A 21 3.366 -9.136 8.923 1.00 43.31 H new ATOM 0 HB3 ASN A 21 2.312 -9.430 10.292 1.00 43.31 H new ATOM 0 HD21 ASN A 21 2.870 -7.195 7.983 1.00 44.22 H new ATOM 0 HD22 ASN A 21 2.348 -5.757 8.868 1.00 44.22 H new ATOM 280 N GLY A 22 6.183 -7.694 9.976 1.00 1.30 N ATOM 281 CA GLY A 22 7.399 -7.446 9.224 1.00 3.12 C ATOM 282 C GLY A 22 8.559 -8.298 9.700 1.00 20.12 C ATOM 283 O GLY A 22 9.533 -8.493 8.974 1.00 73.24 O ATOM 0 H GLY A 22 5.804 -6.879 10.458 1.00 1.30 H new ATOM 0 HA2 GLY A 22 7.216 -7.644 8.168 1.00 3.12 H new ATOM 0 HA3 GLY A 22 7.667 -6.393 9.309 1.00 3.12 H new ATOM 287 N GLU A 23 8.455 -8.805 10.925 1.00 63.44 N ATOM 288 CA GLU A 23 9.506 -9.639 11.497 1.00 71.12 C ATOM 289 C GLU A 23 9.043 -11.088 11.623 1.00 14.44 C ATOM 290 O GLU A 23 9.813 -12.019 11.394 1.00 52.24 O ATOM 291 CB GLU A 23 9.922 -9.104 12.868 1.00 4.33 C ATOM 292 CG GLU A 23 10.727 -7.816 12.800 1.00 31.45 C ATOM 293 CD GLU A 23 9.893 -6.630 12.356 1.00 23.30 C ATOM 294 OE1 GLU A 23 9.896 -6.325 11.145 1.00 13.20 O ATOM 295 OE2 GLU A 23 9.239 -6.008 13.218 1.00 2.33 O ATOM 0 H GLU A 23 7.655 -8.653 11.539 1.00 63.44 H new ATOM 0 HA GLU A 23 10.365 -9.607 10.827 1.00 71.12 H new ATOM 0 HB2 GLU A 23 9.028 -8.933 13.468 1.00 4.33 H new ATOM 0 HB3 GLU A 23 10.511 -9.864 13.382 1.00 4.33 H new ATOM 0 HG2 GLU A 23 11.155 -7.608 13.780 1.00 31.45 H new ATOM 0 HG3 GLU A 23 11.560 -7.949 12.110 1.00 31.45 H new ATOM 302 N ASN A 24 7.778 -11.268 11.991 1.00 23.24 N ATOM 303 CA ASN A 24 7.212 -12.603 12.150 1.00 13.41 C ATOM 304 C ASN A 24 7.070 -13.298 10.799 1.00 11.43 C ATOM 305 O ASN A 24 7.338 -14.493 10.674 1.00 72.23 O ATOM 306 CB ASN A 24 5.849 -12.522 12.840 1.00 15.22 C ATOM 307 CG ASN A 24 5.960 -12.595 14.351 1.00 70.42 C ATOM 308 OD1 ASN A 24 6.507 -11.696 14.988 1.00 2.35 O ATOM 309 ND2 ASN A 24 5.440 -13.671 14.930 1.00 21.15 N ATOM 0 H ASN A 24 7.127 -10.507 12.184 1.00 23.24 H new ATOM 0 HA ASN A 24 7.892 -13.188 12.770 1.00 13.41 H new ATOM 0 HB2 ASN A 24 5.358 -11.590 12.559 1.00 15.22 H new ATOM 0 HB3 ASN A 24 5.216 -13.336 12.485 1.00 15.22 H new ATOM 0 HD21 ASN A 24 5.485 -13.777 15.944 1.00 21.15 H new ATOM 0 HD22 ASN A 24 4.996 -14.392 14.361 1.00 21.15 H new ATOM 316 N CYS A 25 6.648 -12.541 9.792 1.00 1.14 N ATOM 317 CA CYS A 25 6.470 -13.084 8.450 1.00 5.42 C ATOM 318 C CYS A 25 6.951 -12.093 7.395 1.00 1.30 C ATOM 319 O CYS A 25 6.235 -11.792 6.440 1.00 43.21 O ATOM 320 CB CYS A 25 5.001 -13.432 8.209 1.00 50.33 C ATOM 321 SG CYS A 25 4.708 -14.398 6.709 1.00 21.41 S ATOM 0 H CYS A 25 6.423 -11.550 9.879 1.00 1.14 H new ATOM 0 HA CYS A 25 7.068 -13.992 8.369 1.00 5.42 H new ATOM 0 HB2 CYS A 25 4.625 -13.990 9.067 1.00 50.33 H new ATOM 0 HB3 CYS A 25 4.425 -12.509 8.152 1.00 50.33 H new ATOM 0 HG CYS A 25 5.266 -13.805 5.695 1.00 21.41 H new ATOM 327 N SER A 26 8.167 -11.588 7.575 1.00 2.44 N ATOM 328 CA SER A 26 8.742 -10.626 6.642 1.00 53.11 C ATOM 329 C SER A 26 7.704 -10.176 5.618 1.00 70.42 C ATOM 330 O SER A 26 7.616 -10.732 4.522 1.00 1.10 O ATOM 331 CB SER A 26 9.949 -11.236 5.927 1.00 2.43 C ATOM 332 OG SER A 26 9.632 -12.505 5.383 1.00 24.24 O ATOM 0 H SER A 26 8.774 -11.829 8.359 1.00 2.44 H new ATOM 0 HA SER A 26 9.068 -9.755 7.211 1.00 53.11 H new ATOM 0 HB2 SER A 26 10.280 -10.568 5.132 1.00 2.43 H new ATOM 0 HB3 SER A 26 10.779 -11.334 6.627 1.00 2.43 H new ATOM 0 HG SER A 26 8.807 -12.439 4.858 1.00 24.24 H new ATOM 338 N CYS A 27 6.921 -9.168 5.983 1.00 55.23 N ATOM 339 CA CYS A 27 5.887 -8.643 5.097 1.00 43.11 C ATOM 340 C CYS A 27 6.243 -7.239 4.618 1.00 23.31 C ATOM 341 O CYS A 27 7.100 -6.574 5.198 1.00 12.42 O ATOM 342 CB CYS A 27 4.535 -8.624 5.811 1.00 3.44 C ATOM 343 SG CYS A 27 3.660 -10.206 5.779 1.00 43.43 S ATOM 0 H CYS A 27 6.982 -8.697 6.886 1.00 55.23 H new ATOM 0 HA CYS A 27 5.821 -9.298 4.228 1.00 43.11 H new ATOM 0 HB2 CYS A 27 4.688 -8.327 6.848 1.00 3.44 H new ATOM 0 HB3 CYS A 27 3.904 -7.863 5.351 1.00 3.44 H new ATOM 0 HG CYS A 27 4.491 -11.167 6.053 1.00 43.43 H new ATOM 349 N ASN A 28 5.580 -6.797 3.554 1.00 5.44 N ATOM 350 CA ASN A 28 5.829 -5.473 2.996 1.00 54.53 C ATOM 351 C ASN A 28 4.613 -4.972 2.222 1.00 14.22 C ATOM 352 O ASN A 28 4.607 -4.965 0.991 1.00 62.34 O ATOM 353 CB ASN A 28 7.053 -5.504 2.079 1.00 72.45 C ATOM 354 CG ASN A 28 8.320 -5.885 2.819 1.00 63.40 C ATOM 355 OD1 ASN A 28 8.627 -7.067 2.980 1.00 43.34 O ATOM 356 ND2 ASN A 28 9.063 -4.883 3.274 1.00 21.33 N ATOM 0 H ASN A 28 4.867 -7.336 3.062 1.00 5.44 H new ATOM 0 HA ASN A 28 6.020 -4.788 3.822 1.00 54.53 H new ATOM 0 HB2 ASN A 28 6.880 -6.214 1.271 1.00 72.45 H new ATOM 0 HB3 ASN A 28 7.184 -4.524 1.620 1.00 72.45 H new ATOM 0 HD21 ASN A 28 9.927 -5.078 3.780 1.00 21.33 H new ATOM 0 HD22 ASN A 28 8.770 -3.919 3.117 1.00 21.33 H new ATOM 363 N CYS A 29 3.585 -4.553 2.953 1.00 43.03 N ATOM 364 CA CYS A 29 2.363 -4.050 2.336 1.00 71.34 C ATOM 365 C CYS A 29 1.379 -3.564 3.395 1.00 4.20 C ATOM 366 O CYS A 29 0.801 -4.362 4.131 1.00 22.24 O ATOM 367 CB CYS A 29 1.713 -5.139 1.481 1.00 62.41 C ATOM 368 SG CYS A 29 -0.094 -5.076 1.453 1.00 24.43 S ATOM 0 H CYS A 29 3.574 -4.552 3.973 1.00 43.03 H new ATOM 0 HA CYS A 29 2.628 -3.207 1.698 1.00 71.34 H new ATOM 0 HB2 CYS A 29 2.085 -5.054 0.460 1.00 62.41 H new ATOM 0 HB3 CYS A 29 2.026 -6.114 1.854 1.00 62.41 H new ATOM 0 HG CYS A 29 -0.542 -4.921 2.664 1.00 24.43 H new ATOM 374 N GLU A 30 1.197 -2.249 3.466 1.00 13.12 N ATOM 375 CA GLU A 30 0.285 -1.657 4.438 1.00 52.31 C ATOM 376 C GLU A 30 -1.147 -2.125 4.196 1.00 53.23 C ATOM 377 O GLU A 30 -1.858 -1.576 3.352 1.00 24.21 O ATOM 378 CB GLU A 30 0.352 -0.130 4.369 1.00 4.40 C ATOM 379 CG GLU A 30 -0.343 0.456 3.152 1.00 54.21 C ATOM 380 CD GLU A 30 0.130 -0.167 1.853 1.00 2.21 C ATOM 381 OE1 GLU A 30 -0.271 -1.314 1.565 1.00 22.13 O ATOM 382 OE2 GLU A 30 0.901 0.492 1.125 1.00 43.12 O ATOM 0 H GLU A 30 1.668 -1.574 2.863 1.00 13.12 H new ATOM 0 HA GLU A 30 0.593 -1.983 5.432 1.00 52.31 H new ATOM 0 HB2 GLU A 30 -0.099 0.286 5.270 1.00 4.40 H new ATOM 0 HB3 GLU A 30 1.397 0.179 4.364 1.00 4.40 H new ATOM 0 HG2 GLU A 30 -1.419 0.312 3.249 1.00 54.21 H new ATOM 0 HG3 GLU A 30 -0.167 1.531 3.120 1.00 54.21 H new ATOM 389 N LEU A 31 -1.565 -3.142 4.941 1.00 64.31 N ATOM 390 CA LEU A 31 -2.912 -3.686 4.808 1.00 42.10 C ATOM 391 C LEU A 31 -3.273 -4.546 6.015 1.00 73.25 C ATOM 392 O LEU A 31 -2.699 -5.616 6.222 1.00 15.50 O ATOM 393 CB LEU A 31 -3.025 -4.512 3.526 1.00 74.23 C ATOM 394 CG LEU A 31 -4.421 -5.037 3.187 1.00 60.30 C ATOM 395 CD1 LEU A 31 -5.315 -3.905 2.706 1.00 60.15 C ATOM 396 CD2 LEU A 31 -4.337 -6.136 2.138 1.00 72.23 C ATOM 0 H LEU A 31 -0.990 -3.607 5.644 1.00 64.31 H new ATOM 0 HA LEU A 31 -3.612 -2.852 4.758 1.00 42.10 H new ATOM 0 HB2 LEU A 31 -2.676 -3.902 2.693 1.00 74.23 H new ATOM 0 HB3 LEU A 31 -2.348 -5.363 3.605 1.00 74.23 H new ATOM 0 HG LEU A 31 -4.859 -5.459 4.092 1.00 60.30 H new ATOM 0 HD11 LEU A 31 -6.304 -4.298 2.470 1.00 60.15 H new ATOM 0 HD12 LEU A 31 -5.401 -3.152 3.489 1.00 60.15 H new ATOM 0 HD13 LEU A 31 -4.881 -3.453 1.814 1.00 60.15 H new ATOM 0 HD21 LEU A 31 -5.339 -6.498 1.909 1.00 72.23 H new ATOM 0 HD22 LEU A 31 -3.878 -5.740 1.232 1.00 72.23 H new ATOM 0 HD23 LEU A 31 -3.733 -6.959 2.521 1.00 72.23 H new ATOM 408 N PHE A 32 -4.230 -4.073 6.807 1.00 61.34 N ATOM 409 CA PHE A 32 -4.669 -4.800 7.992 1.00 14.22 C ATOM 410 C PHE A 32 -5.387 -6.089 7.605 1.00 75.22 C ATOM 411 O PHE A 32 -6.605 -6.103 7.422 1.00 62.55 O ATOM 412 CB PHE A 32 -5.593 -3.923 8.840 1.00 34.11 C ATOM 413 CG PHE A 32 -5.091 -2.519 9.017 1.00 11.32 C ATOM 414 CD1 PHE A 32 -3.766 -2.279 9.341 1.00 5.43 C ATOM 415 CD2 PHE A 32 -5.945 -1.439 8.860 1.00 3.30 C ATOM 416 CE1 PHE A 32 -3.300 -0.987 9.505 1.00 61.44 C ATOM 417 CE2 PHE A 32 -5.485 -0.145 9.022 1.00 63.43 C ATOM 418 CZ PHE A 32 -4.161 0.080 9.346 1.00 51.45 C ATOM 0 H PHE A 32 -4.716 -3.190 6.649 1.00 61.34 H new ATOM 0 HA PHE A 32 -3.786 -5.059 8.577 1.00 14.22 H new ATOM 0 HB2 PHE A 32 -6.579 -3.892 8.375 1.00 34.11 H new ATOM 0 HB3 PHE A 32 -5.717 -4.382 9.821 1.00 34.11 H new ATOM 0 HD1 PHE A 32 -3.089 -3.111 9.467 1.00 5.43 H new ATOM 0 HD2 PHE A 32 -6.981 -1.610 8.608 1.00 3.30 H new ATOM 0 HE1 PHE A 32 -2.264 -0.813 9.757 1.00 61.44 H new ATOM 0 HE2 PHE A 32 -6.160 0.689 8.895 1.00 63.43 H new ATOM 0 HZ PHE A 32 -3.800 1.090 9.475 1.00 51.45 H new ATOM 428 N ASP A 33 -4.625 -7.170 7.482 1.00 43.24 N ATOM 429 CA ASP A 33 -5.187 -8.465 7.117 1.00 42.14 C ATOM 430 C ASP A 33 -4.717 -9.552 8.078 1.00 11.25 C ATOM 431 O ASP A 33 -3.799 -9.340 8.871 1.00 0.22 O ATOM 432 CB ASP A 33 -4.794 -8.830 5.684 1.00 11.21 C ATOM 433 CG ASP A 33 -5.994 -9.176 4.825 1.00 33.11 C ATOM 434 OD1 ASP A 33 -6.706 -8.244 4.396 1.00 13.32 O ATOM 435 OD2 ASP A 33 -6.221 -10.379 4.581 1.00 73.41 O ATOM 0 H ASP A 33 -3.616 -7.175 7.630 1.00 43.24 H new ATOM 0 HA ASP A 33 -6.273 -8.393 7.181 1.00 42.14 H new ATOM 0 HB2 ASP A 33 -4.257 -7.995 5.234 1.00 11.21 H new ATOM 0 HB3 ASP A 33 -4.108 -9.677 5.703 1.00 11.21 H new ATOM 440 N CYS A 34 -5.353 -10.716 8.004 1.00 14.11 N ATOM 441 CA CYS A 34 -5.003 -11.836 8.868 1.00 22.35 C ATOM 442 C CYS A 34 -5.329 -13.166 8.195 1.00 72.12 C ATOM 443 O CYS A 34 -6.430 -13.357 7.679 1.00 64.54 O ATOM 444 CB CYS A 34 -5.746 -11.731 10.201 1.00 33.35 C ATOM 445 SG CYS A 34 -6.098 -10.022 10.724 1.00 53.01 S ATOM 0 H CYS A 34 -6.115 -10.908 7.353 1.00 14.11 H new ATOM 0 HA CYS A 34 -3.930 -11.797 9.054 1.00 22.35 H new ATOM 0 HB2 CYS A 34 -6.686 -12.277 10.125 1.00 33.35 H new ATOM 0 HB3 CYS A 34 -5.154 -12.222 10.974 1.00 33.35 H new ATOM 450 N GLU A 35 -4.365 -14.081 8.205 1.00 44.21 N ATOM 451 CA GLU A 35 -4.550 -15.392 7.594 1.00 23.04 C ATOM 452 C GLU A 35 -3.338 -16.285 7.846 1.00 34.31 C ATOM 453 O GLU A 35 -2.279 -16.095 7.249 1.00 32.41 O ATOM 454 CB GLU A 35 -4.788 -15.250 6.090 1.00 53.52 C ATOM 455 CG GLU A 35 -6.080 -15.893 5.615 1.00 54.42 C ATOM 456 CD GLU A 35 -6.873 -14.993 4.686 1.00 23.11 C ATOM 457 OE1 GLU A 35 -7.431 -15.509 3.695 1.00 43.11 O ATOM 458 OE2 GLU A 35 -6.935 -13.774 4.950 1.00 63.21 O ATOM 0 H GLU A 35 -3.448 -13.939 8.629 1.00 44.21 H new ATOM 0 HA GLU A 35 -5.424 -15.857 8.050 1.00 23.04 H new ATOM 0 HB2 GLU A 35 -4.802 -14.191 5.831 1.00 53.52 H new ATOM 0 HB3 GLU A 35 -3.951 -15.698 5.554 1.00 53.52 H new ATOM 0 HG2 GLU A 35 -5.849 -16.826 5.101 1.00 54.42 H new ATOM 0 HG3 GLU A 35 -6.694 -16.148 6.479 1.00 54.42 H new ATOM 465 N ALA A 36 -3.504 -17.260 8.735 1.00 45.51 N ATOM 466 CA ALA A 36 -2.425 -18.183 9.065 1.00 33.11 C ATOM 467 C ALA A 36 -2.082 -19.073 7.876 1.00 64.52 C ATOM 468 O ALA A 36 -2.953 -19.734 7.309 1.00 45.54 O ATOM 469 CB ALA A 36 -2.807 -19.031 10.269 1.00 32.40 C ATOM 0 H ALA A 36 -4.374 -17.431 9.239 1.00 45.51 H new ATOM 0 HA ALA A 36 -1.540 -17.596 9.313 1.00 33.11 H new ATOM 0 HB1 ALA A 36 -1.993 -19.716 10.505 1.00 32.40 H new ATOM 0 HB2 ALA A 36 -2.996 -18.383 11.125 1.00 32.40 H new ATOM 0 HB3 ALA A 36 -3.707 -19.602 10.041 1.00 32.40 H new ATOM 475 N LYS A 37 -0.807 -19.087 7.502 1.00 63.02 N ATOM 476 CA LYS A 37 -0.347 -19.897 6.380 1.00 45.42 C ATOM 477 C LYS A 37 1.113 -20.300 6.563 1.00 61.24 C ATOM 478 O LYS A 37 1.665 -20.193 7.658 1.00 62.32 O ATOM 479 CB LYS A 37 -0.514 -19.128 5.067 1.00 4.11 C ATOM 480 CG LYS A 37 -1.900 -18.536 4.881 1.00 1.33 C ATOM 481 CD LYS A 37 -2.040 -17.857 3.529 1.00 64.00 C ATOM 482 CE LYS A 37 -3.366 -18.200 2.868 1.00 41.32 C ATOM 483 NZ LYS A 37 -3.259 -18.211 1.383 1.00 43.34 N ATOM 0 H LYS A 37 -0.073 -18.546 7.960 1.00 63.02 H new ATOM 0 HA LYS A 37 -0.954 -20.802 6.344 1.00 45.42 H new ATOM 0 HB2 LYS A 37 0.223 -18.326 5.029 1.00 4.11 H new ATOM 0 HB3 LYS A 37 -0.299 -19.797 4.234 1.00 4.11 H new ATOM 0 HG2 LYS A 37 -2.648 -19.323 4.973 1.00 1.33 H new ATOM 0 HG3 LYS A 37 -2.098 -17.814 5.674 1.00 1.33 H new ATOM 0 HD2 LYS A 37 -1.963 -16.777 3.653 1.00 64.00 H new ATOM 0 HD3 LYS A 37 -1.219 -18.163 2.880 1.00 64.00 H new ATOM 0 HE2 LYS A 37 -3.703 -19.177 3.215 1.00 41.32 H new ATOM 0 HE3 LYS A 37 -4.122 -17.476 3.172 1.00 41.32 H new ATOM 0 HZ1 LYS A 37 -4.183 -18.449 0.970 1.00 43.34 H new ATOM 0 HZ2 LYS A 37 -2.962 -17.272 1.049 1.00 43.34 H new ATOM 0 HZ3 LYS A 37 -2.557 -18.920 1.091 1.00 43.34 H new ATOM 497 N LYS A 38 1.734 -20.763 5.483 1.00 72.11 N ATOM 498 CA LYS A 38 3.130 -21.180 5.522 1.00 24.35 C ATOM 499 C LYS A 38 3.871 -20.720 4.271 1.00 24.02 C ATOM 500 O LYS A 38 3.595 -21.166 3.157 1.00 14.24 O ATOM 501 CB LYS A 38 3.226 -22.702 5.654 1.00 40.00 C ATOM 502 CG LYS A 38 2.450 -23.455 4.587 1.00 1.40 C ATOM 503 CD LYS A 38 3.380 -24.135 3.597 1.00 63.03 C ATOM 504 CE LYS A 38 3.428 -25.639 3.819 1.00 12.14 C ATOM 505 NZ LYS A 38 3.687 -26.379 2.554 1.00 62.14 N ATOM 0 H LYS A 38 1.291 -20.859 4.569 1.00 72.11 H new ATOM 0 HA LYS A 38 3.597 -20.716 6.391 1.00 24.35 H new ATOM 0 HB2 LYS A 38 4.274 -22.997 5.605 1.00 40.00 H new ATOM 0 HB3 LYS A 38 2.857 -22.997 6.636 1.00 40.00 H new ATOM 0 HG2 LYS A 38 1.811 -24.201 5.059 1.00 1.40 H new ATOM 0 HG3 LYS A 38 1.795 -22.764 4.057 1.00 1.40 H new ATOM 0 HD2 LYS A 38 3.046 -23.927 2.581 1.00 63.03 H new ATOM 0 HD3 LYS A 38 4.383 -23.720 3.694 1.00 63.03 H new ATOM 0 HE2 LYS A 38 4.208 -25.874 4.543 1.00 12.14 H new ATOM 0 HE3 LYS A 38 2.483 -25.973 4.248 1.00 12.14 H new ATOM 0 HZ1 LYS A 38 3.712 -27.400 2.748 1.00 62.14 H new ATOM 0 HZ2 LYS A 38 2.930 -26.175 1.871 1.00 62.14 H new ATOM 0 HZ3 LYS A 38 4.601 -26.079 2.157 1.00 62.14 H new ATOM 519 N PRO A 39 4.837 -19.808 4.456 1.00 1.32 N ATOM 520 CA PRO A 39 5.639 -19.269 3.354 1.00 60.25 C ATOM 521 C PRO A 39 6.594 -20.306 2.771 1.00 0.52 C ATOM 522 O PRO A 39 6.663 -20.486 1.555 1.00 2.23 O ATOM 523 CB PRO A 39 6.422 -18.129 4.009 1.00 42.34 C ATOM 524 CG PRO A 39 6.498 -18.500 5.449 1.00 10.14 C ATOM 525 CD PRO A 39 5.221 -19.232 5.756 1.00 31.11 C ATOM 0 HA PRO A 39 5.019 -18.951 2.516 1.00 60.25 H new ATOM 0 HB2 PRO A 39 7.416 -18.030 3.573 1.00 42.34 H new ATOM 0 HB3 PRO A 39 5.917 -17.173 3.873 1.00 42.34 H new ATOM 0 HG2 PRO A 39 7.366 -19.130 5.644 1.00 10.14 H new ATOM 0 HG3 PRO A 39 6.600 -17.614 6.075 1.00 10.14 H new ATOM 0 HD2 PRO A 39 5.372 -20.005 6.509 1.00 31.11 H new ATOM 0 HD3 PRO A 39 4.454 -18.559 6.140 1.00 31.11 H new ATOM 533 N ASP A 40 7.328 -20.984 3.646 1.00 21.20 N ATOM 534 CA ASP A 40 8.278 -22.004 3.218 1.00 24.33 C ATOM 535 C ASP A 40 9.007 -22.605 4.417 1.00 73.04 C ATOM 536 O ASP A 40 10.190 -22.931 4.337 1.00 4.51 O ATOM 537 CB ASP A 40 9.290 -21.410 2.237 1.00 75.24 C ATOM 538 CG ASP A 40 9.524 -22.304 1.035 1.00 73.12 C ATOM 539 OD1 ASP A 40 10.609 -22.916 0.953 1.00 64.24 O ATOM 540 OD2 ASP A 40 8.621 -22.392 0.177 1.00 71.43 O ATOM 0 H ASP A 40 7.284 -20.846 4.656 1.00 21.20 H new ATOM 0 HA ASP A 40 7.721 -22.797 2.718 1.00 24.33 H new ATOM 0 HB2 ASP A 40 8.935 -20.436 1.899 1.00 75.24 H new ATOM 0 HB3 ASP A 40 10.236 -21.243 2.752 1.00 75.24 H new ATOM 545 N GLY A 41 8.290 -22.748 5.528 1.00 63.14 N ATOM 546 CA GLY A 41 8.885 -23.308 6.727 1.00 62.10 C ATOM 547 C GLY A 41 7.851 -23.896 7.667 1.00 64.02 C ATOM 548 O GLY A 41 7.935 -25.066 8.039 1.00 23.30 O ATOM 0 H GLY A 41 7.308 -22.486 5.619 1.00 63.14 H new ATOM 0 HA2 GLY A 41 9.599 -24.082 6.447 1.00 62.10 H new ATOM 0 HA3 GLY A 41 9.445 -22.531 7.248 1.00 62.10 H new ATOM 552 N SER A 42 6.874 -23.082 8.053 1.00 61.10 N ATOM 553 CA SER A 42 5.822 -23.527 8.960 1.00 44.11 C ATOM 554 C SER A 42 4.535 -22.743 8.724 1.00 33.34 C ATOM 555 O SER A 42 4.527 -21.740 8.010 1.00 32.33 O ATOM 556 CB SER A 42 6.272 -23.366 10.413 1.00 32.55 C ATOM 557 OG SER A 42 7.479 -22.629 10.496 1.00 51.33 O ATOM 0 H SER A 42 6.789 -22.111 7.752 1.00 61.10 H new ATOM 0 HA SER A 42 5.626 -24.581 8.762 1.00 44.11 H new ATOM 0 HB2 SER A 42 5.494 -22.860 10.984 1.00 32.55 H new ATOM 0 HB3 SER A 42 6.411 -24.348 10.865 1.00 32.55 H new ATOM 0 HG SER A 42 7.743 -22.539 11.435 1.00 51.33 H new ATOM 563 N TYR A 43 3.448 -23.209 9.330 1.00 53.52 N ATOM 564 CA TYR A 43 2.153 -22.554 9.185 1.00 51.01 C ATOM 565 C TYR A 43 2.054 -21.334 10.096 1.00 31.53 C ATOM 566 O TYR A 43 3.043 -20.909 10.692 1.00 42.22 O ATOM 567 CB TYR A 43 1.023 -23.535 9.503 1.00 64.21 C ATOM 568 CG TYR A 43 -0.171 -23.402 8.585 1.00 65.42 C ATOM 569 CD1 TYR A 43 -1.432 -23.112 9.091 1.00 44.32 C ATOM 570 CD2 TYR A 43 -0.038 -23.568 7.212 1.00 71.42 C ATOM 571 CE1 TYR A 43 -2.526 -22.990 8.256 1.00 64.10 C ATOM 572 CE2 TYR A 43 -1.126 -23.447 6.369 1.00 31.13 C ATOM 573 CZ TYR A 43 -2.368 -23.158 6.896 1.00 23.11 C ATOM 574 OH TYR A 43 -3.454 -23.038 6.060 1.00 13.14 O ATOM 0 H TYR A 43 3.438 -24.037 9.926 1.00 53.52 H new ATOM 0 HA TYR A 43 2.057 -22.222 8.151 1.00 51.01 H new ATOM 0 HB2 TYR A 43 1.408 -24.553 9.439 1.00 64.21 H new ATOM 0 HB3 TYR A 43 0.698 -23.381 10.532 1.00 64.21 H new ATOM 0 HD1 TYR A 43 -1.559 -22.980 10.155 1.00 44.32 H new ATOM 0 HD2 TYR A 43 0.933 -23.796 6.797 1.00 71.42 H new ATOM 0 HE1 TYR A 43 -3.499 -22.764 8.666 1.00 64.10 H new ATOM 0 HE2 TYR A 43 -1.005 -23.578 5.304 1.00 31.13 H new ATOM 0 HH TYR A 43 -3.171 -23.184 5.133 1.00 13.14 H new ATOM 584 N ALA A 44 0.852 -20.778 10.200 1.00 13.50 N ATOM 585 CA ALA A 44 0.621 -19.609 11.040 1.00 21.03 C ATOM 586 C ALA A 44 1.200 -18.351 10.402 1.00 25.02 C ATOM 587 O ALA A 44 2.240 -18.399 9.744 1.00 3.13 O ATOM 588 CB ALA A 44 1.220 -19.826 12.422 1.00 31.11 C ATOM 0 H ALA A 44 0.023 -21.118 9.713 1.00 13.50 H new ATOM 0 HA ALA A 44 -0.456 -19.471 11.140 1.00 21.03 H new ATOM 0 HB1 ALA A 44 1.040 -18.945 13.039 1.00 31.11 H new ATOM 0 HB2 ALA A 44 0.756 -20.696 12.887 1.00 31.11 H new ATOM 0 HB3 ALA A 44 2.293 -19.992 12.331 1.00 31.11 H new ATOM 594 N HIS A 45 0.521 -17.226 10.600 1.00 11.11 N ATOM 595 CA HIS A 45 0.969 -15.954 10.043 1.00 32.33 C ATOM 596 C HIS A 45 0.455 -14.785 10.878 1.00 4.20 C ATOM 597 O HIS A 45 -0.686 -14.774 11.340 1.00 24.23 O ATOM 598 CB HIS A 45 0.494 -15.811 8.597 1.00 32.01 C ATOM 599 CG HIS A 45 0.316 -14.389 8.163 1.00 3.40 C ATOM 600 ND1 HIS A 45 -0.913 -13.767 8.105 1.00 73.31 N ATOM 601 CD2 HIS A 45 1.222 -13.464 7.766 1.00 22.53 C ATOM 602 CE1 HIS A 45 -0.756 -12.523 7.690 1.00 73.14 C ATOM 603 NE2 HIS A 45 0.530 -12.314 7.478 1.00 45.15 N ATOM 0 H HIS A 45 -0.341 -17.169 11.142 1.00 11.11 H new ATOM 0 HA HIS A 45 2.059 -15.940 10.062 1.00 32.33 H new ATOM 0 HB2 HIS A 45 1.213 -16.296 7.937 1.00 32.01 H new ATOM 0 HB3 HIS A 45 -0.452 -16.339 8.480 1.00 32.01 H new ATOM 0 HD2 HIS A 45 2.290 -13.605 7.690 1.00 22.53 H new ATOM 0 HE1 HIS A 45 -1.545 -11.800 7.548 1.00 73.14 H new ATOM 0 HE2 HIS A 45 0.943 -11.440 7.153 1.00 45.15 H new ATOM 611 N PRO A 46 1.317 -13.776 11.077 1.00 32.12 N ATOM 612 CA PRO A 46 0.972 -12.584 11.857 1.00 5.41 C ATOM 613 C PRO A 46 -0.049 -11.701 11.147 1.00 65.30 C ATOM 614 O PRO A 46 -0.220 -11.788 9.931 1.00 75.52 O ATOM 615 CB PRO A 46 2.309 -11.851 11.993 1.00 5.34 C ATOM 616 CG PRO A 46 3.110 -12.301 10.821 1.00 72.54 C ATOM 617 CD PRO A 46 2.693 -13.722 10.556 1.00 51.21 C ATOM 0 HA PRO A 46 0.511 -12.841 12.811 1.00 5.41 H new ATOM 0 HB2 PRO A 46 2.170 -10.770 11.986 1.00 5.34 H new ATOM 0 HB3 PRO A 46 2.804 -12.102 12.931 1.00 5.34 H new ATOM 0 HG2 PRO A 46 2.920 -11.670 9.953 1.00 72.54 H new ATOM 0 HG3 PRO A 46 4.178 -12.240 11.031 1.00 72.54 H new ATOM 0 HD2 PRO A 46 2.730 -13.960 9.493 1.00 51.21 H new ATOM 0 HD3 PRO A 46 3.344 -14.433 11.065 1.00 51.21 H new ATOM 625 N CYS A 47 -0.724 -10.851 11.913 1.00 21.43 N ATOM 626 CA CYS A 47 -1.728 -9.952 11.358 1.00 34.50 C ATOM 627 C CYS A 47 -1.937 -8.743 12.265 1.00 45.23 C ATOM 628 O CYS A 47 -1.631 -8.787 13.456 1.00 22.54 O ATOM 629 CB CYS A 47 -3.053 -10.692 11.164 1.00 75.20 C ATOM 630 SG CYS A 47 -4.504 -9.801 11.813 1.00 72.44 S ATOM 0 H CYS A 47 -0.594 -10.766 12.921 1.00 21.43 H new ATOM 0 HA CYS A 47 -1.370 -9.601 10.390 1.00 34.50 H new ATOM 0 HB2 CYS A 47 -3.200 -10.879 10.100 1.00 75.20 H new ATOM 0 HB3 CYS A 47 -2.989 -11.664 11.652 1.00 75.20 H new ATOM 635 N ARG A 48 -2.459 -7.664 11.691 1.00 3.54 N ATOM 636 CA ARG A 48 -2.707 -6.442 12.447 1.00 50.42 C ATOM 637 C ARG A 48 -4.008 -6.546 13.237 1.00 53.21 C ATOM 638 O ARG A 48 -4.905 -5.716 13.087 1.00 0.44 O ATOM 639 CB ARG A 48 -2.765 -5.237 11.505 1.00 23.32 C ATOM 640 CG ARG A 48 -2.215 -3.959 12.117 1.00 70.12 C ATOM 641 CD ARG A 48 -3.148 -3.405 13.182 1.00 20.45 C ATOM 642 NE ARG A 48 -4.448 -3.033 12.632 1.00 73.03 N ATOM 643 CZ ARG A 48 -5.376 -2.375 13.318 1.00 20.20 C ATOM 644 NH1 ARG A 48 -5.148 -2.019 14.574 1.00 4.35 N ATOM 645 NH2 ARG A 48 -6.535 -2.072 12.747 1.00 20.14 N ATOM 0 H ARG A 48 -2.718 -7.611 10.706 1.00 3.54 H new ATOM 0 HA ARG A 48 -1.885 -6.306 13.150 1.00 50.42 H new ATOM 0 HB2 ARG A 48 -2.204 -5.467 10.599 1.00 23.32 H new ATOM 0 HB3 ARG A 48 -3.800 -5.070 11.205 1.00 23.32 H new ATOM 0 HG2 ARG A 48 -1.237 -4.156 12.556 1.00 70.12 H new ATOM 0 HG3 ARG A 48 -2.070 -3.213 11.335 1.00 70.12 H new ATOM 0 HD2 ARG A 48 -3.286 -4.150 13.966 1.00 20.45 H new ATOM 0 HD3 ARG A 48 -2.689 -2.533 13.648 1.00 20.45 H new ATOM 0 HE ARG A 48 -4.655 -3.293 11.668 1.00 73.03 H new ATOM 0 HH11 ARG A 48 -4.258 -2.250 15.016 1.00 4.35 H new ATOM 0 HH12 ARG A 48 -5.862 -1.514 15.099 1.00 4.35 H new ATOM 0 HH21 ARG A 48 -6.714 -2.344 11.780 1.00 20.14 H new ATOM 0 HH22 ARG A 48 -7.247 -1.567 13.275 1.00 20.14 H new ATOM 659 N ARG A 49 -4.104 -7.571 14.077 1.00 21.10 N ATOM 660 CA ARG A 49 -5.296 -7.785 14.889 1.00 3.11 C ATOM 661 C ARG A 49 -5.146 -9.030 15.758 1.00 64.43 C ATOM 662 O ARG A 49 -4.652 -10.062 15.301 1.00 74.33 O ATOM 663 CB ARG A 49 -6.530 -7.919 13.996 1.00 53.04 C ATOM 664 CG ARG A 49 -7.646 -6.949 14.349 1.00 41.14 C ATOM 665 CD ARG A 49 -8.927 -7.682 14.714 1.00 22.35 C ATOM 666 NE ARG A 49 -9.699 -8.058 13.533 1.00 22.11 N ATOM 667 CZ ARG A 49 -10.800 -8.799 13.580 1.00 30.40 C ATOM 668 NH1 ARG A 49 -11.256 -9.242 14.744 1.00 53.33 N ATOM 669 NH2 ARG A 49 -11.448 -9.099 12.461 1.00 25.43 N ATOM 0 H ARG A 49 -3.371 -8.267 14.213 1.00 21.10 H new ATOM 0 HA ARG A 49 -5.420 -6.921 15.541 1.00 3.11 H new ATOM 0 HB2 ARG A 49 -6.236 -7.760 12.959 1.00 53.04 H new ATOM 0 HB3 ARG A 49 -6.910 -8.938 14.067 1.00 53.04 H new ATOM 0 HG2 ARG A 49 -7.334 -6.322 15.184 1.00 41.14 H new ATOM 0 HG3 ARG A 49 -7.833 -6.285 13.505 1.00 41.14 H new ATOM 0 HD2 ARG A 49 -8.682 -8.577 15.287 1.00 22.35 H new ATOM 0 HD3 ARG A 49 -9.536 -7.048 15.358 1.00 22.35 H new ATOM 0 HE ARG A 49 -9.375 -7.734 12.622 1.00 22.11 H new ATOM 0 HH11 ARG A 49 -10.761 -9.014 15.606 1.00 53.33 H new ATOM 0 HH12 ARG A 49 -12.102 -9.811 14.777 1.00 53.33 H new ATOM 0 HH21 ARG A 49 -11.100 -8.760 11.564 1.00 25.43 H new ATOM 0 HH22 ARG A 49 -12.294 -9.668 12.498 1.00 25.43 H new ATOM 683 N CYS A 50 -5.573 -8.926 17.011 1.00 30.00 N ATOM 684 CA CYS A 50 -5.485 -10.043 17.944 1.00 20.54 C ATOM 685 C CYS A 50 -5.249 -11.355 17.202 1.00 3.30 C ATOM 686 O CYS A 50 -6.194 -12.007 16.758 1.00 65.12 O ATOM 687 CB CYS A 50 -6.763 -10.139 18.780 1.00 64.34 C ATOM 688 SG CYS A 50 -8.145 -9.174 18.127 1.00 10.53 S ATOM 0 H CYS A 50 -5.984 -8.079 17.404 1.00 30.00 H new ATOM 0 HA CYS A 50 -4.638 -9.864 18.607 1.00 20.54 H new ATOM 0 HB2 CYS A 50 -7.063 -11.185 18.847 1.00 64.34 H new ATOM 0 HB3 CYS A 50 -6.547 -9.804 19.795 1.00 64.34 H new ATOM 0 HG CYS A 50 -9.180 -9.320 18.900 1.00 10.53 H new ATOM 694 N ASP A 51 -3.982 -11.734 17.070 1.00 54.41 N ATOM 695 CA ASP A 51 -3.621 -12.967 16.381 1.00 52.15 C ATOM 696 C ASP A 51 -2.110 -13.064 16.196 1.00 20.15 C ATOM 697 O ASP A 51 -1.481 -12.155 15.656 1.00 1.22 O ATOM 698 CB ASP A 51 -4.319 -13.039 15.021 1.00 23.53 C ATOM 699 CG ASP A 51 -3.696 -14.075 14.105 1.00 1.35 C ATOM 700 OD1 ASP A 51 -2.843 -13.696 13.275 1.00 21.52 O ATOM 701 OD2 ASP A 51 -4.061 -15.263 14.220 1.00 62.44 O ATOM 0 H ASP A 51 -3.188 -11.205 17.431 1.00 54.41 H new ATOM 0 HA ASP A 51 -3.949 -13.806 16.995 1.00 52.15 H new ATOM 0 HB2 ASP A 51 -5.373 -13.275 15.169 1.00 23.53 H new ATOM 0 HB3 ASP A 51 -4.276 -12.061 14.541 1.00 23.53 H new ATOM 706 N ALA A 52 -1.534 -14.172 16.651 1.00 62.35 N ATOM 707 CA ALA A 52 -0.097 -14.389 16.535 1.00 1.51 C ATOM 708 C ALA A 52 0.205 -15.723 15.862 1.00 40.14 C ATOM 709 O ALA A 52 -0.661 -16.591 15.767 1.00 33.23 O ATOM 710 CB ALA A 52 0.558 -14.328 17.907 1.00 12.52 C ATOM 0 H ALA A 52 -2.040 -14.933 17.103 1.00 62.35 H new ATOM 0 HA ALA A 52 0.316 -13.596 15.911 1.00 1.51 H new ATOM 0 HB1 ALA A 52 1.631 -14.492 17.806 1.00 12.52 H new ATOM 0 HB2 ALA A 52 0.381 -13.349 18.352 1.00 12.52 H new ATOM 0 HB3 ALA A 52 0.132 -15.100 18.548 1.00 12.52 H new ATOM 716 N ASN A 53 1.439 -15.879 15.394 1.00 4.42 N ATOM 717 CA ASN A 53 1.855 -17.108 14.728 1.00 50.42 C ATOM 718 C ASN A 53 3.184 -17.607 15.286 1.00 2.54 C ATOM 719 O ASN A 53 4.252 -17.198 14.832 1.00 21.23 O ATOM 720 CB ASN A 53 1.976 -16.879 13.220 1.00 43.31 C ATOM 721 CG ASN A 53 3.029 -15.843 12.875 1.00 23.31 C ATOM 722 OD1 ASN A 53 2.840 -14.622 13.362 1.00 23.04 O flip ATOM 723 ND2 ASN A 53 4.001 -16.138 12.179 1.00 21.41 N flip ATOM 0 H ASN A 53 2.169 -15.170 15.464 1.00 4.42 H new ATOM 0 HA ASN A 53 1.096 -17.867 14.914 1.00 50.42 H new ATOM 0 HB2 ASN A 53 2.223 -17.821 12.731 1.00 43.31 H new ATOM 0 HB3 ASN A 53 1.012 -16.558 12.825 1.00 43.31 H new ATOM 0 HD21 ASN A 53 4.106 -17.089 11.826 1.00 21.41 H new ATOM 0 HD22 ASN A 53 4.701 -15.431 11.955 1.00 21.41 H new ATOM 730 N ASN A 54 3.109 -18.493 16.274 1.00 4.30 N ATOM 731 CA ASN A 54 4.307 -19.048 16.895 1.00 54.11 C ATOM 732 C ASN A 54 4.709 -20.359 16.225 1.00 13.44 C ATOM 733 O ASN A 54 4.094 -21.400 16.458 1.00 52.14 O ATOM 734 CB ASN A 54 4.072 -19.277 18.389 1.00 11.35 C ATOM 735 CG ASN A 54 2.960 -18.405 18.940 1.00 32.11 C ATOM 736 OD1 ASN A 54 1.722 -18.729 18.583 1.00 65.10 O flip ATOM 737 ND2 ASN A 54 3.210 -17.452 19.678 1.00 25.20 N flip ATOM 0 H ASN A 54 2.232 -18.842 16.662 1.00 4.30 H new ATOM 0 HA ASN A 54 5.118 -18.331 16.767 1.00 54.11 H new ATOM 0 HB2 ASN A 54 3.826 -20.325 18.559 1.00 11.35 H new ATOM 0 HB3 ASN A 54 4.994 -19.074 18.934 1.00 11.35 H new ATOM 0 HD21 ASN A 54 4.176 -17.239 19.927 1.00 25.20 H new ATOM 0 HD22 ASN A 54 2.451 -16.875 20.041 1.00 25.20 H new ATOM 853 N ILE A 63 -2.942 -18.489 16.417 1.00 63.44 N ATOM 854 CA ILE A 63 -4.117 -18.195 17.227 1.00 70.31 C ATOM 855 C ILE A 63 -4.412 -16.699 17.245 1.00 71.33 C ATOM 856 O ILE A 63 -3.555 -15.869 16.942 1.00 11.45 O ATOM 857 CB ILE A 63 -3.941 -18.690 18.675 1.00 44.42 C ATOM 858 CG1 ILE A 63 -2.458 -18.715 19.051 1.00 2.42 C ATOM 859 CG2 ILE A 63 -4.559 -20.070 18.842 1.00 4.33 C ATOM 860 CD1 ILE A 63 -1.764 -20.009 18.689 1.00 71.12 C ATOM 0 HA ILE A 63 -4.955 -18.723 16.771 1.00 70.31 H new ATOM 0 HB ILE A 63 -4.455 -18.000 19.345 1.00 44.42 H new ATOM 0 HG12 ILE A 63 -1.951 -17.889 18.552 1.00 2.42 H new ATOM 0 HG13 ILE A 63 -2.361 -18.548 20.124 1.00 2.42 H new ATOM 0 HG21 ILE A 63 -4.426 -20.406 19.870 1.00 4.33 H new ATOM 0 HG22 ILE A 63 -5.623 -20.023 18.610 1.00 4.33 H new ATOM 0 HG23 ILE A 63 -4.071 -20.772 18.165 1.00 4.33 H new ATOM 0 HD11 ILE A 63 -0.716 -19.955 18.985 1.00 71.12 H new ATOM 0 HD12 ILE A 63 -2.245 -20.838 19.208 1.00 71.12 H new ATOM 0 HD13 ILE A 63 -1.829 -20.168 17.613 1.00 71.12 H new ATOM 872 N PRO A 64 -5.654 -16.345 17.609 1.00 25.40 N ATOM 873 CA PRO A 64 -6.090 -14.948 17.678 1.00 52.33 C ATOM 874 C PRO A 64 -5.432 -14.190 18.826 1.00 60.51 C ATOM 875 O PRO A 64 -4.294 -14.477 19.199 1.00 43.20 O ATOM 876 CB PRO A 64 -7.600 -15.059 17.906 1.00 2.41 C ATOM 877 CG PRO A 64 -7.788 -16.386 18.556 1.00 10.45 C ATOM 878 CD PRO A 64 -6.726 -17.282 17.982 1.00 33.55 C ATOM 0 HA PRO A 64 -5.820 -14.392 16.780 1.00 52.33 H new ATOM 0 HB2 PRO A 64 -7.965 -14.252 18.541 1.00 2.41 H new ATOM 0 HB3 PRO A 64 -8.148 -14.997 16.966 1.00 2.41 H new ATOM 0 HG2 PRO A 64 -7.689 -16.308 19.639 1.00 10.45 H new ATOM 0 HG3 PRO A 64 -8.783 -16.782 18.354 1.00 10.45 H new ATOM 0 HD2 PRO A 64 -6.382 -18.016 18.711 1.00 33.55 H new ATOM 0 HD3 PRO A 64 -7.092 -17.838 17.119 1.00 33.55 H new ATOM 886 N CYS A 65 -6.154 -13.225 19.382 1.00 13.43 N ATOM 887 CA CYS A 65 -5.640 -12.426 20.489 1.00 44.42 C ATOM 888 C CYS A 65 -4.714 -13.254 21.373 1.00 22.33 C ATOM 889 O CYS A 65 -5.170 -14.069 22.175 1.00 42.33 O ATOM 890 CB CYS A 65 -6.794 -11.866 21.321 1.00 0.13 C ATOM 891 SG CYS A 65 -6.322 -10.510 22.421 1.00 61.23 S ATOM 0 H CYS A 65 -7.098 -12.976 19.085 1.00 13.43 H new ATOM 0 HA CYS A 65 -5.068 -11.597 20.071 1.00 44.42 H new ATOM 0 HB2 CYS A 65 -7.577 -11.518 20.648 1.00 0.13 H new ATOM 0 HB3 CYS A 65 -7.222 -12.672 21.918 1.00 0.13 H new ATOM 0 HG CYS A 65 -7.366 -10.103 23.080 1.00 61.23 H new ATOM 897 N ASN A 66 -3.411 -13.042 21.220 1.00 2.53 N ATOM 898 CA ASN A 66 -2.420 -13.771 22.004 1.00 51.33 C ATOM 899 C ASN A 66 -2.242 -13.138 23.380 1.00 1.43 C ATOM 900 O ASN A 66 -1.173 -13.230 23.982 1.00 3.44 O ATOM 901 CB ASN A 66 -1.079 -13.802 21.267 1.00 34.11 C ATOM 902 CG ASN A 66 -1.079 -12.925 20.030 1.00 62.11 C ATOM 903 OD1 ASN A 66 -2.115 -13.059 19.210 1.00 40.32 O flip ATOM 904 ND2 ASN A 66 -0.158 -12.137 19.815 1.00 45.34 N flip ATOM 0 H ASN A 66 -3.017 -12.371 20.560 1.00 2.53 H new ATOM 0 HA ASN A 66 -2.778 -14.792 22.137 1.00 51.33 H new ATOM 0 HB2 ASN A 66 -0.289 -13.473 21.942 1.00 34.11 H new ATOM 0 HB3 ASN A 66 -0.848 -14.828 20.982 1.00 34.11 H new ATOM 0 HD21 ASN A 66 0.618 -12.068 20.473 1.00 45.34 H new ATOM 0 HD22 ASN A 66 -0.171 -11.553 18.979 1.00 45.34 H new ATOM 911 N GLU A 67 -3.297 -12.496 23.872 1.00 54.13 N ATOM 912 CA GLU A 67 -3.257 -11.848 25.177 1.00 3.33 C ATOM 913 C GLU A 67 -2.752 -12.811 26.248 1.00 61.14 C ATOM 914 O GLU A 67 -2.049 -12.411 27.176 1.00 64.52 O ATOM 915 CB GLU A 67 -4.645 -11.328 25.557 1.00 60.21 C ATOM 916 CG GLU A 67 -5.114 -11.790 26.926 1.00 11.04 C ATOM 917 CD GLU A 67 -6.442 -11.176 27.326 1.00 62.12 C ATOM 918 OE1 GLU A 67 -6.626 -9.962 27.097 1.00 74.35 O ATOM 919 OE2 GLU A 67 -7.296 -11.909 27.868 1.00 43.54 O ATOM 0 H GLU A 67 -4.190 -12.411 23.386 1.00 54.13 H new ATOM 0 HA GLU A 67 -2.567 -11.007 25.114 1.00 3.33 H new ATOM 0 HB2 GLU A 67 -4.634 -10.238 25.535 1.00 60.21 H new ATOM 0 HB3 GLU A 67 -5.364 -11.655 24.806 1.00 60.21 H new ATOM 0 HG2 GLU A 67 -5.205 -12.876 26.927 1.00 11.04 H new ATOM 0 HG3 GLU A 67 -4.360 -11.533 27.670 1.00 11.04 H new ATOM 926 N ASP A 68 -3.116 -14.081 26.111 1.00 34.21 N ATOM 927 CA ASP A 68 -2.701 -15.103 27.065 1.00 2.33 C ATOM 928 C ASP A 68 -1.429 -15.801 26.594 1.00 30.22 C ATOM 929 O ASP A 68 -1.302 -17.021 26.703 1.00 64.22 O ATOM 930 CB ASP A 68 -3.817 -16.129 27.265 1.00 51.02 C ATOM 931 CG ASP A 68 -3.591 -17.001 28.484 1.00 64.31 C ATOM 932 OD1 ASP A 68 -2.866 -16.562 29.402 1.00 61.23 O ATOM 933 OD2 ASP A 68 -4.139 -18.123 28.521 1.00 45.43 O ATOM 0 H ASP A 68 -3.698 -14.428 25.348 1.00 34.21 H new ATOM 0 HA ASP A 68 -2.494 -14.614 28.017 1.00 2.33 H new ATOM 0 HB2 ASP A 68 -4.770 -15.610 27.365 1.00 51.02 H new ATOM 0 HB3 ASP A 68 -3.889 -16.760 26.379 1.00 51.02 H new ATOM 938 N HIS A 69 -0.490 -15.020 26.069 1.00 14.24 N ATOM 939 CA HIS A 69 0.772 -15.563 25.581 1.00 72.52 C ATOM 940 C HIS A 69 1.930 -14.626 25.909 1.00 63.41 C ATOM 941 O HIS A 69 1.742 -13.523 26.421 1.00 10.21 O ATOM 942 CB HIS A 69 0.701 -15.797 24.071 1.00 12.54 C ATOM 943 CG HIS A 69 -0.320 -16.817 23.670 1.00 3.22 C ATOM 944 ND1 HIS A 69 -1.620 -16.493 23.344 1.00 22.13 N ATOM 945 CD2 HIS A 69 -0.225 -18.161 23.542 1.00 44.14 C ATOM 946 CE1 HIS A 69 -2.281 -17.594 23.034 1.00 22.02 C ATOM 947 NE2 HIS A 69 -1.457 -18.620 23.146 1.00 63.24 N ATOM 0 H HIS A 69 -0.580 -14.009 25.971 1.00 14.24 H new ATOM 0 HA HIS A 69 0.947 -16.516 26.081 1.00 72.52 H new ATOM 0 HB2 HIS A 69 0.473 -14.853 23.576 1.00 12.54 H new ATOM 0 HB3 HIS A 69 1.680 -16.116 23.715 1.00 12.54 H new ATOM 0 HD2 HIS A 69 0.656 -18.761 23.718 1.00 44.14 H new ATOM 0 HE1 HIS A 69 -3.319 -17.646 22.739 1.00 22.02 H new ATOM 0 HE2 HIS A 69 -1.697 -19.595 22.967 1.00 63.24 H new ATOM 955 N PRO A 70 3.158 -15.075 25.608 1.00 2.23 N ATOM 956 CA PRO A 70 4.371 -14.292 25.863 1.00 41.11 C ATOM 957 C PRO A 70 4.482 -13.080 24.944 1.00 2.23 C ATOM 958 O PRO A 70 5.283 -12.176 25.188 1.00 72.14 O ATOM 959 CB PRO A 70 5.501 -15.285 25.577 1.00 14.32 C ATOM 960 CG PRO A 70 4.910 -16.267 24.626 1.00 51.04 C ATOM 961 CD PRO A 70 3.457 -16.380 24.996 1.00 30.33 C ATOM 0 HA PRO A 70 4.388 -13.885 26.874 1.00 41.11 H new ATOM 0 HB2 PRO A 70 6.367 -14.785 25.143 1.00 14.32 H new ATOM 0 HB3 PRO A 70 5.840 -15.773 26.491 1.00 14.32 H new ATOM 0 HG2 PRO A 70 5.025 -15.930 23.596 1.00 51.04 H new ATOM 0 HG3 PRO A 70 5.408 -17.233 24.703 1.00 51.04 H new ATOM 0 HD2 PRO A 70 2.833 -16.566 24.122 1.00 30.33 H new ATOM 0 HD3 PRO A 70 3.282 -17.200 25.693 1.00 30.33 H new ATOM 969 N CYS A 71 3.675 -13.067 23.890 1.00 52.14 N ATOM 970 CA CYS A 71 3.683 -11.965 22.934 1.00 40.01 C ATOM 971 C CYS A 71 2.317 -11.808 22.274 1.00 42.14 C ATOM 972 O CYS A 71 1.962 -12.565 21.370 1.00 31.40 O ATOM 973 CB CYS A 71 4.755 -12.195 21.868 1.00 61.12 C ATOM 974 SG CYS A 71 4.740 -13.855 21.152 1.00 31.41 S ATOM 0 H CYS A 71 3.007 -13.807 23.675 1.00 52.14 H new ATOM 0 HA CYS A 71 3.912 -11.048 23.476 1.00 40.01 H new ATOM 0 HB2 CYS A 71 4.620 -11.465 21.069 1.00 61.12 H new ATOM 0 HB3 CYS A 71 5.735 -12.009 22.308 1.00 61.12 H new ATOM 0 HG CYS A 71 3.518 -14.191 20.862 1.00 31.41 H new ATOM 980 N HIS A 72 1.554 -10.820 22.732 1.00 62.44 N ATOM 981 CA HIS A 72 0.226 -10.564 22.186 1.00 70.41 C ATOM 982 C HIS A 72 0.315 -9.746 20.901 1.00 31.32 C ATOM 983 O HIS A 72 1.333 -9.109 20.628 1.00 73.31 O ATOM 984 CB HIS A 72 -0.638 -9.831 23.213 1.00 64.14 C ATOM 985 CG HIS A 72 -0.114 -9.926 24.613 1.00 73.13 C ATOM 986 ND1 HIS A 72 -0.105 -11.101 25.335 1.00 54.23 N ATOM 987 CD2 HIS A 72 0.422 -8.984 25.423 1.00 11.13 C ATOM 988 CE1 HIS A 72 0.412 -10.877 26.529 1.00 11.25 C ATOM 989 NE2 HIS A 72 0.740 -9.600 26.608 1.00 5.15 N ATOM 0 H HIS A 72 1.833 -10.184 23.479 1.00 62.44 H new ATOM 0 HA HIS A 72 -0.235 -11.524 21.953 1.00 70.41 H new ATOM 0 HB2 HIS A 72 -0.710 -8.781 22.931 1.00 64.14 H new ATOM 0 HB3 HIS A 72 -1.648 -10.239 23.183 1.00 64.14 H new ATOM 0 HD1 HIS A 72 -0.445 -12.002 24.999 1.00 54.23 H new ATOM 0 HD2 HIS A 72 0.572 -7.942 25.182 1.00 11.13 H new ATOM 0 HE1 HIS A 72 0.544 -11.613 27.308 1.00 11.25 H new ATOM 997 N HIS A 73 -0.757 -9.769 20.115 1.00 30.04 N ATOM 998 CA HIS A 73 -0.800 -9.029 18.859 1.00 63.41 C ATOM 999 C HIS A 73 -0.245 -7.620 19.039 1.00 2.43 C ATOM 1000 O HIS A 73 -0.071 -7.150 20.164 1.00 11.25 O ATOM 1001 CB HIS A 73 -2.233 -8.962 18.331 1.00 61.13 C ATOM 1002 CG HIS A 73 -2.972 -7.731 18.758 1.00 64.22 C ATOM 1003 ND1 HIS A 73 -2.849 -6.518 18.114 1.00 63.25 N ATOM 1004 CD2 HIS A 73 -3.847 -7.531 19.770 1.00 13.22 C ATOM 1005 CE1 HIS A 73 -3.615 -5.625 18.712 1.00 15.53 C ATOM 1006 NE2 HIS A 73 -4.233 -6.214 19.721 1.00 44.34 N ATOM 0 H HIS A 73 -1.607 -10.292 20.326 1.00 30.04 H new ATOM 0 HA HIS A 73 -0.178 -9.555 18.135 1.00 63.41 H new ATOM 0 HB2 HIS A 73 -2.212 -9.004 17.242 1.00 61.13 H new ATOM 0 HB3 HIS A 73 -2.779 -9.841 18.674 1.00 61.13 H new ATOM 0 HD2 HIS A 73 -4.180 -8.270 20.484 1.00 13.22 H new ATOM 0 HE1 HIS A 73 -3.719 -4.589 18.426 1.00 15.53 H new ATOM 0 HE2 HIS A 73 -4.889 -5.764 20.359 1.00 44.34 H new ATOM 1014 N CYS A 74 0.032 -6.951 17.925 1.00 31.23 N ATOM 1015 CA CYS A 74 0.569 -5.595 17.961 1.00 71.45 C ATOM 1016 C CYS A 74 0.690 -5.096 19.396 1.00 13.44 C ATOM 1017 O CYS A 74 -0.311 -4.784 20.043 1.00 50.12 O ATOM 1018 CB CYS A 74 -0.322 -4.651 17.152 1.00 4.31 C ATOM 1019 SG CYS A 74 -0.515 -5.122 15.417 1.00 22.33 S ATOM 0 H CYS A 74 -0.106 -7.325 16.986 1.00 31.23 H new ATOM 0 HA CYS A 74 1.565 -5.612 17.518 1.00 71.45 H new ATOM 0 HB2 CYS A 74 -1.307 -4.610 17.618 1.00 4.31 H new ATOM 0 HB3 CYS A 74 0.095 -3.645 17.200 1.00 4.31 H new ATOM 0 HG CYS A 74 -1.510 -5.950 15.300 1.00 22.33 H new ATOM 1025 N HIS A 75 1.922 -5.023 19.891 1.00 74.23 N ATOM 1026 CA HIS A 75 2.174 -4.562 21.251 1.00 34.34 C ATOM 1027 C HIS A 75 0.975 -3.789 21.794 1.00 63.23 C ATOM 1028 O HIS A 75 0.487 -2.857 21.156 1.00 0.23 O ATOM 1029 CB HIS A 75 3.423 -3.683 21.291 1.00 4.52 C ATOM 1030 CG HIS A 75 3.219 -2.324 20.695 1.00 13.10 C ATOM 1031 ND1 HIS A 75 2.379 -1.379 21.246 1.00 71.01 N ATOM 1032 CD2 HIS A 75 3.752 -1.752 19.590 1.00 61.50 C ATOM 1033 CE1 HIS A 75 2.403 -0.286 20.504 1.00 2.15 C ATOM 1034 NE2 HIS A 75 3.229 -0.486 19.494 1.00 63.34 N ATOM 0 H HIS A 75 2.761 -5.277 19.370 1.00 74.23 H new ATOM 0 HA HIS A 75 2.335 -5.437 21.881 1.00 34.34 H new ATOM 0 HB2 HIS A 75 3.746 -3.572 22.326 1.00 4.52 H new ATOM 0 HB3 HIS A 75 4.229 -4.187 20.758 1.00 4.52 H new ATOM 0 HD2 HIS A 75 4.457 -2.207 18.910 1.00 61.50 H new ATOM 0 HE1 HIS A 75 1.842 0.618 20.692 1.00 2.15 H new ATOM 0 HE2 HIS A 75 3.444 0.190 18.761 1.00 63.34 H new ATOM 1042 N GLU A 76 0.507 -4.184 22.974 1.00 72.15 N ATOM 1043 CA GLU A 76 -0.635 -3.528 23.600 1.00 73.55 C ATOM 1044 C GLU A 76 -0.281 -3.038 25.001 1.00 63.55 C ATOM 1045 O GLU A 76 0.514 -3.661 25.704 1.00 60.32 O ATOM 1046 CB GLU A 76 -1.827 -4.486 23.669 1.00 64.24 C ATOM 1047 CG GLU A 76 -2.133 -5.172 22.348 1.00 34.30 C ATOM 1048 CD GLU A 76 -3.171 -6.269 22.488 1.00 71.13 C ATOM 1049 OE1 GLU A 76 -4.376 -5.943 22.531 1.00 40.13 O ATOM 1050 OE2 GLU A 76 -2.779 -7.453 22.554 1.00 0.32 O ATOM 0 H GLU A 76 0.901 -4.954 23.515 1.00 72.15 H new ATOM 0 HA GLU A 76 -0.905 -2.666 22.990 1.00 73.55 H new ATOM 0 HB2 GLU A 76 -1.629 -5.245 24.426 1.00 64.24 H new ATOM 0 HB3 GLU A 76 -2.708 -3.933 23.995 1.00 64.24 H new ATOM 0 HG2 GLU A 76 -2.487 -4.431 21.631 1.00 34.30 H new ATOM 0 HG3 GLU A 76 -1.215 -5.595 21.941 1.00 34.30 H new ATOM 1057 N GLU A 77 -0.876 -1.918 25.398 1.00 72.23 N ATOM 1058 CA GLU A 77 -0.622 -1.344 26.714 1.00 41.03 C ATOM 1059 C GLU A 77 -1.822 -1.543 27.635 1.00 22.23 C ATOM 1060 O GLU A 77 -1.963 -0.854 28.646 1.00 73.04 O ATOM 1061 CB GLU A 77 -0.301 0.147 26.591 1.00 55.22 C ATOM 1062 CG GLU A 77 -1.185 0.880 25.595 1.00 31.50 C ATOM 1063 CD GLU A 77 -2.659 0.581 25.792 1.00 25.34 C ATOM 1064 OE1 GLU A 77 -3.279 0.021 24.864 1.00 12.13 O ATOM 1065 OE2 GLU A 77 -3.191 0.906 26.874 1.00 42.20 O ATOM 0 H GLU A 77 -1.537 -1.390 24.828 1.00 72.23 H new ATOM 0 HA GLU A 77 0.236 -1.858 27.147 1.00 41.03 H new ATOM 0 HB2 GLU A 77 -0.406 0.615 27.570 1.00 55.22 H new ATOM 0 HB3 GLU A 77 0.741 0.262 26.293 1.00 55.22 H new ATOM 0 HG2 GLU A 77 -1.020 1.953 25.690 1.00 31.50 H new ATOM 0 HG3 GLU A 77 -0.894 0.601 24.582 1.00 31.50 H new ATOM 1072 N ASP A 78 -2.683 -2.490 27.279 1.00 40.20 N ATOM 1073 CA ASP A 78 -3.871 -2.781 28.073 1.00 21.12 C ATOM 1074 C ASP A 78 -4.143 -4.282 28.113 1.00 14.41 C ATOM 1075 O ASP A 78 -5.222 -4.716 28.518 1.00 23.12 O ATOM 1076 CB ASP A 78 -5.084 -2.045 27.504 1.00 54.33 C ATOM 1077 CG ASP A 78 -6.304 -2.160 28.397 1.00 24.24 C ATOM 1078 OD1 ASP A 78 -7.285 -2.812 27.982 1.00 43.12 O ATOM 1079 OD2 ASP A 78 -6.276 -1.600 29.513 1.00 52.32 O ATOM 0 H ASP A 78 -2.580 -3.069 26.446 1.00 40.20 H new ATOM 0 HA ASP A 78 -3.691 -2.435 29.091 1.00 21.12 H new ATOM 0 HB2 ASP A 78 -4.835 -0.993 27.368 1.00 54.33 H new ATOM 0 HB3 ASP A 78 -5.320 -2.447 26.519 1.00 54.33 H new ATOM 1084 N ASP A 79 -3.160 -5.068 27.689 1.00 1.42 N ATOM 1085 CA ASP A 79 -3.293 -6.520 27.676 1.00 14.23 C ATOM 1086 C ASP A 79 -3.176 -7.089 29.087 1.00 41.21 C ATOM 1087 O ASP A 79 -2.220 -6.801 29.806 1.00 51.42 O ATOM 1088 CB ASP A 79 -2.230 -7.143 26.771 1.00 24.03 C ATOM 1089 CG ASP A 79 -0.821 -6.861 27.255 1.00 64.20 C ATOM 1090 OD1 ASP A 79 -0.360 -7.561 28.181 1.00 22.02 O ATOM 1091 OD2 ASP A 79 -0.179 -5.941 26.707 1.00 65.43 O ATOM 0 H ASP A 79 -2.262 -4.724 27.350 1.00 1.42 H new ATOM 0 HA ASP A 79 -4.280 -6.766 27.285 1.00 14.23 H new ATOM 0 HB2 ASP A 79 -2.385 -8.221 26.721 1.00 24.03 H new ATOM 0 HB3 ASP A 79 -2.347 -6.757 25.758 1.00 24.03 H new ATOM 1096 N GLY A 80 -4.156 -7.898 29.477 1.00 71.32 N ATOM 1097 CA GLY A 80 -4.144 -8.494 30.800 1.00 11.21 C ATOM 1098 C GLY A 80 -5.497 -9.048 31.199 1.00 74.55 C ATOM 1099 O GLY A 80 -6.087 -9.847 30.470 1.00 13.05 O ATOM 0 H GLY A 80 -4.958 -8.151 28.900 1.00 71.32 H new ATOM 0 HA2 GLY A 80 -3.405 -9.294 30.828 1.00 11.21 H new ATOM 0 HA3 GLY A 80 -3.832 -7.746 31.529 1.00 11.21 H new ATOM 1103 N ASP A 81 -5.990 -8.626 32.358 1.00 61.32 N ATOM 1104 CA ASP A 81 -7.282 -9.087 32.852 1.00 13.55 C ATOM 1105 C ASP A 81 -8.281 -7.935 32.918 1.00 44.15 C ATOM 1106 O ASP A 81 -7.992 -6.822 32.476 1.00 61.22 O ATOM 1107 CB ASP A 81 -7.126 -9.721 34.235 1.00 33.51 C ATOM 1108 CG ASP A 81 -7.390 -11.214 34.220 1.00 63.43 C ATOM 1109 OD1 ASP A 81 -8.301 -11.664 34.946 1.00 20.00 O ATOM 1110 OD2 ASP A 81 -6.685 -11.933 33.481 1.00 72.14 O ATOM 0 H ASP A 81 -5.515 -7.966 32.973 1.00 61.32 H new ATOM 0 HA ASP A 81 -7.663 -9.836 32.157 1.00 13.55 H new ATOM 0 HB2 ASP A 81 -6.117 -9.537 34.604 1.00 33.51 H new ATOM 0 HB3 ASP A 81 -7.813 -9.240 34.932 1.00 33.51 H new ATOM 1115 N THR A 82 -9.458 -8.210 33.471 1.00 50.53 N ATOM 1116 CA THR A 82 -10.500 -7.198 33.592 1.00 52.14 C ATOM 1117 C THR A 82 -9.991 -5.971 34.339 1.00 51.30 C ATOM 1118 O THR A 82 -9.723 -4.931 33.736 1.00 62.11 O ATOM 1119 CB THR A 82 -11.739 -7.752 34.321 1.00 42.23 C ATOM 1120 OG1 THR A 82 -12.114 -9.015 33.759 1.00 1.43 O ATOM 1121 CG2 THR A 82 -12.905 -6.780 34.221 1.00 71.22 C ATOM 0 H THR A 82 -9.713 -9.125 33.842 1.00 50.53 H new ATOM 0 HA THR A 82 -10.782 -6.912 32.579 1.00 52.14 H new ATOM 0 HB THR A 82 -11.486 -7.884 35.373 1.00 42.23 H new ATOM 0 HG1 THR A 82 -12.901 -9.361 34.229 1.00 1.43 H new ATOM 0 HG21 THR A 82 -13.768 -7.193 34.743 1.00 71.22 H new ATOM 0 HG22 THR A 82 -12.626 -5.829 34.676 1.00 71.22 H new ATOM 0 HG23 THR A 82 -13.157 -6.621 33.173 1.00 71.22 H new ATOM 1129 N HIS A 83 -9.859 -6.098 35.656 1.00 55.24 N ATOM 1130 CA HIS A 83 -9.381 -4.998 36.486 1.00 63.13 C ATOM 1131 C HIS A 83 -8.123 -4.374 35.888 1.00 31.02 C ATOM 1132 O HIS A 83 -8.002 -3.151 35.810 1.00 15.23 O ATOM 1133 CB HIS A 83 -9.095 -5.489 37.905 1.00 33.41 C ATOM 1134 CG HIS A 83 -10.301 -6.040 38.602 1.00 13.33 C ATOM 1135 ND1 HIS A 83 -11.582 -5.909 38.107 1.00 23.13 N ATOM 1136 CD2 HIS A 83 -10.416 -6.727 39.762 1.00 33.35 C ATOM 1137 CE1 HIS A 83 -12.432 -6.491 38.934 1.00 53.12 C ATOM 1138 NE2 HIS A 83 -11.750 -6.996 39.946 1.00 15.32 N ATOM 0 H HIS A 83 -10.076 -6.951 36.171 1.00 55.24 H new ATOM 0 HA HIS A 83 -10.161 -4.237 36.523 1.00 63.13 H new ATOM 0 HB2 HIS A 83 -8.325 -6.259 37.866 1.00 33.41 H new ATOM 0 HB3 HIS A 83 -8.692 -4.664 38.492 1.00 33.41 H new ATOM 0 HD2 HIS A 83 -9.609 -7.011 40.421 1.00 33.35 H new ATOM 0 HE1 HIS A 83 -13.503 -6.545 38.805 1.00 53.12 H new ATOM 0 HE2 HIS A 83 -12.149 -7.503 40.736 1.00 15.32 H new ATOM 1146 N CYS A 84 -7.190 -5.221 35.469 1.00 31.40 N ATOM 1147 CA CYS A 84 -5.941 -4.753 34.880 1.00 44.20 C ATOM 1148 C CYS A 84 -6.210 -3.842 33.686 1.00 31.34 C ATOM 1149 O CYS A 84 -5.648 -2.751 33.585 1.00 31.20 O ATOM 1150 CB CYS A 84 -5.080 -5.940 34.447 1.00 61.42 C ATOM 1151 SG CYS A 84 -3.747 -6.345 35.600 1.00 70.45 S ATOM 0 H CYS A 84 -7.275 -6.236 35.526 1.00 31.40 H new ATOM 0 HA CYS A 84 -5.404 -4.181 35.637 1.00 44.20 H new ATOM 0 HB2 CYS A 84 -5.720 -6.814 34.326 1.00 61.42 H new ATOM 0 HB3 CYS A 84 -4.648 -5.724 33.470 1.00 61.42 H new ATOM 0 HG CYS A 84 -3.077 -7.363 35.148 1.00 70.45 H new ATOM 1157 N HIS A 85 -7.072 -4.298 32.783 1.00 34.54 N ATOM 1158 CA HIS A 85 -7.416 -3.525 31.595 1.00 23.23 C ATOM 1159 C HIS A 85 -8.216 -2.281 31.969 1.00 31.32 C ATOM 1160 O HIS A 85 -8.190 -1.277 31.256 1.00 21.15 O ATOM 1161 CB HIS A 85 -8.215 -4.385 30.615 1.00 1.51 C ATOM 1162 CG HIS A 85 -9.649 -3.971 30.487 1.00 4.20 C ATOM 1163 ND1 HIS A 85 -10.582 -4.175 31.481 1.00 54.12 N ATOM 1164 CD2 HIS A 85 -10.307 -3.360 29.474 1.00 4.32 C ATOM 1165 CE1 HIS A 85 -11.753 -3.709 31.084 1.00 12.23 C ATOM 1166 NE2 HIS A 85 -11.613 -3.208 29.870 1.00 22.30 N ATOM 0 H HIS A 85 -7.545 -5.199 32.851 1.00 34.54 H new ATOM 0 HA HIS A 85 -6.489 -3.209 31.116 1.00 23.23 H new ATOM 0 HB2 HIS A 85 -7.743 -4.337 29.634 1.00 1.51 H new ATOM 0 HB3 HIS A 85 -8.173 -5.425 30.939 1.00 1.51 H new ATOM 0 HD1 HIS A 85 -10.397 -4.616 32.382 1.00 54.12 H new ATOM 0 HD2 HIS A 85 -9.884 -3.050 28.530 1.00 4.32 H new ATOM 0 HE1 HIS A 85 -12.669 -3.734 31.655 1.00 12.23 H new ATOM 1174 N CYS A 86 -8.926 -2.355 33.089 1.00 34.42 N ATOM 1175 CA CYS A 86 -9.736 -1.236 33.557 1.00 41.32 C ATOM 1176 C CYS A 86 -8.860 -0.154 34.180 1.00 25.33 C ATOM 1177 O CYS A 86 -9.183 1.032 34.121 1.00 60.15 O ATOM 1178 CB CYS A 86 -10.772 -1.718 34.573 1.00 54.13 C ATOM 1179 SG CYS A 86 -12.435 -1.921 33.891 1.00 22.43 S ATOM 0 H CYS A 86 -8.957 -3.178 33.690 1.00 34.42 H new ATOM 0 HA CYS A 86 -10.253 -0.810 32.697 1.00 41.32 H new ATOM 0 HB2 CYS A 86 -10.442 -2.670 34.988 1.00 54.13 H new ATOM 0 HB3 CYS A 86 -10.814 -1.008 35.399 1.00 54.13 H new ATOM 0 HG CYS A 86 -13.240 -2.334 34.825 1.00 22.43 H new ATOM 1185 N SER A 87 -7.749 -0.572 34.780 1.00 34.40 N ATOM 1186 CA SER A 87 -6.829 0.360 35.420 1.00 62.11 C ATOM 1187 C SER A 87 -5.919 1.020 34.388 1.00 73.21 C ATOM 1188 O SER A 87 -5.399 2.113 34.612 1.00 5.22 O ATOM 1189 CB SER A 87 -5.985 -0.364 36.471 1.00 12.01 C ATOM 1190 OG SER A 87 -6.807 -0.996 37.437 1.00 23.41 O ATOM 0 H SER A 87 -7.465 -1.550 34.836 1.00 34.40 H new ATOM 0 HA SER A 87 -7.418 1.136 35.909 1.00 62.11 H new ATOM 0 HB2 SER A 87 -5.352 -1.107 35.985 1.00 12.01 H new ATOM 0 HB3 SER A 87 -5.322 0.348 36.963 1.00 12.01 H new ATOM 0 HG SER A 87 -7.278 -1.749 37.023 1.00 23.41 H new ATOM 1196 N CYS A 88 -5.733 0.348 33.257 1.00 31.13 N ATOM 1197 CA CYS A 88 -4.886 0.868 32.190 1.00 61.53 C ATOM 1198 C CYS A 88 -5.657 1.848 31.312 1.00 31.01 C ATOM 1199 O CYS A 88 -5.111 2.855 30.863 1.00 12.34 O ATOM 1200 CB CYS A 88 -4.342 -0.280 31.337 1.00 35.13 C ATOM 1201 SG CYS A 88 -2.725 -0.890 31.866 1.00 64.31 S ATOM 0 H CYS A 88 -6.157 -0.557 33.056 1.00 31.13 H new ATOM 0 HA CYS A 88 -4.051 1.398 32.648 1.00 61.53 H new ATOM 0 HB2 CYS A 88 -5.055 -1.104 31.360 1.00 35.13 H new ATOM 0 HB3 CYS A 88 -4.272 0.053 30.301 1.00 35.13 H new ATOM 0 HG CYS A 88 -1.978 -1.099 30.823 1.00 64.31 H new ATOM 1349 N THR A 99 1.982 5.262 25.992 1.00 21.23 N ATOM 1350 CA THR A 99 2.348 3.854 25.903 1.00 74.10 C ATOM 1351 C THR A 99 2.578 3.436 24.455 1.00 14.40 C ATOM 1352 O THR A 99 2.363 2.280 24.090 1.00 31.12 O ATOM 1353 CB THR A 99 1.262 2.951 26.519 1.00 1.43 C ATOM 1354 OG1 THR A 99 0.115 3.734 26.870 1.00 44.00 O ATOM 1355 CG2 THR A 99 1.790 2.235 27.753 1.00 2.32 C ATOM 0 HA THR A 99 3.274 3.732 26.465 1.00 74.10 H new ATOM 0 HB THR A 99 0.978 2.204 25.778 1.00 1.43 H new ATOM 0 HG1 THR A 99 0.300 4.681 26.697 1.00 44.00 H new ATOM 0 HG21 THR A 99 1.006 1.603 28.171 1.00 2.32 H new ATOM 0 HG22 THR A 99 2.645 1.618 27.477 1.00 2.32 H new ATOM 0 HG23 THR A 99 2.098 2.970 28.496 1.00 2.32 H new ATOM 1363 N HIS A 100 3.016 4.385 23.633 1.00 21.50 N ATOM 1364 CA HIS A 100 3.277 4.114 22.224 1.00 73.04 C ATOM 1365 C HIS A 100 4.615 4.708 21.795 1.00 61.22 C ATOM 1366 O HIS A 100 5.311 5.336 22.592 1.00 73.12 O ATOM 1367 CB HIS A 100 2.152 4.682 21.357 1.00 4.11 C ATOM 1368 CG HIS A 100 1.760 3.786 20.223 1.00 55.52 C ATOM 1369 ND1 HIS A 100 0.617 3.723 19.500 1.00 33.31 N flip ATOM 1370 CD2 HIS A 100 2.589 2.810 19.713 1.00 32.41 C flip ATOM 1371 CE1 HIS A 100 0.775 2.720 18.576 1.00 52.02 C flip ATOM 1372 NE2 HIS A 100 1.974 2.185 18.725 1.00 63.34 N flip ATOM 0 H HIS A 100 3.197 5.347 23.918 1.00 21.50 H new ATOM 0 HA HIS A 100 3.320 3.033 22.089 1.00 73.04 H new ATOM 0 HB2 HIS A 100 1.279 4.865 21.983 1.00 4.11 H new ATOM 0 HB3 HIS A 100 2.465 5.646 20.956 1.00 4.11 H new ATOM 0 HD1 HIS A 100 -0.208 4.311 19.620 1.00 33.31 H new ATOM 0 HD2 HIS A 100 3.586 2.591 20.066 1.00 32.41 H new ATOM 0 HE1 HIS A 100 0.039 2.417 17.846 1.00 52.02 H new ATOM 1380 N GLY A 101 4.970 4.504 20.530 1.00 71.53 N ATOM 1381 CA GLY A 101 6.224 5.024 20.018 1.00 50.24 C ATOM 1382 C GLY A 101 6.184 6.524 19.800 1.00 35.22 C ATOM 1383 O GLY A 101 5.649 6.997 18.798 1.00 3.30 O ATOM 0 H GLY A 101 4.411 3.988 19.851 1.00 71.53 H new ATOM 0 HA2 GLY A 101 7.026 4.783 20.716 1.00 50.24 H new ATOM 0 HA3 GLY A 101 6.461 4.529 19.076 1.00 50.24 H new ATOM 1387 N GLU A 102 6.748 7.272 20.743 1.00 44.45 N ATOM 1388 CA GLU A 102 6.772 8.727 20.649 1.00 13.44 C ATOM 1389 C GLU A 102 8.079 9.287 21.202 1.00 3.02 C ATOM 1390 O GLU A 102 8.780 8.621 21.965 1.00 71.32 O ATOM 1391 CB GLU A 102 5.586 9.328 21.407 1.00 2.25 C ATOM 1392 CG GLU A 102 5.991 10.138 22.627 1.00 3.53 C ATOM 1393 CD GLU A 102 6.434 9.266 23.786 1.00 11.52 C ATOM 1394 OE1 GLU A 102 7.642 9.270 24.103 1.00 41.02 O ATOM 1395 OE2 GLU A 102 5.573 8.581 24.376 1.00 22.21 O ATOM 0 H GLU A 102 7.194 6.895 21.580 1.00 44.45 H new ATOM 0 HA GLU A 102 6.697 8.999 19.596 1.00 13.44 H new ATOM 0 HB2 GLU A 102 5.018 9.966 20.730 1.00 2.25 H new ATOM 0 HB3 GLU A 102 4.920 8.524 21.720 1.00 2.25 H new ATOM 0 HG2 GLU A 102 6.801 10.815 22.356 1.00 3.53 H new ATOM 0 HG3 GLU A 102 5.151 10.756 22.943 1.00 3.53 H new ATOM 1402 N CYS A 103 8.402 10.515 20.812 1.00 43.44 N ATOM 1403 CA CYS A 103 9.625 11.166 21.266 1.00 43.02 C ATOM 1404 C CYS A 103 9.359 12.026 22.498 1.00 53.02 C ATOM 1405 O CYS A 103 8.764 13.100 22.403 1.00 42.42 O ATOM 1406 CB CYS A 103 10.215 12.027 20.147 1.00 3.12 C ATOM 1407 SG CYS A 103 11.845 11.466 19.558 1.00 61.32 S ATOM 0 H CYS A 103 7.833 11.080 20.182 1.00 43.44 H new ATOM 0 HA CYS A 103 10.342 10.390 21.535 1.00 43.02 H new ATOM 0 HB2 CYS A 103 9.521 12.037 19.307 1.00 3.12 H new ATOM 0 HB3 CYS A 103 10.302 13.054 20.501 1.00 3.12 H new ATOM 1412 N THR A 104 9.803 11.546 23.655 1.00 31.13 N ATOM 1413 CA THR A 104 9.612 12.269 24.906 1.00 21.13 C ATOM 1414 C THR A 104 10.116 13.703 24.795 1.00 41.23 C ATOM 1415 O THR A 104 10.953 14.014 23.947 1.00 51.32 O ATOM 1416 CB THR A 104 10.336 11.572 26.074 1.00 73.11 C ATOM 1417 OG1 THR A 104 10.267 10.151 25.914 1.00 31.44 O ATOM 1418 CG2 THR A 104 9.719 11.968 27.407 1.00 54.23 C ATOM 0 H THR A 104 10.298 10.659 23.752 1.00 31.13 H new ATOM 0 HA THR A 104 8.540 12.278 25.105 1.00 21.13 H new ATOM 0 HB THR A 104 11.379 11.888 26.067 1.00 73.11 H new ATOM 0 HG1 THR A 104 11.055 9.838 25.423 1.00 31.44 H new ATOM 0 HG21 THR A 104 10.247 11.463 28.216 1.00 54.23 H new ATOM 0 HG22 THR A 104 9.799 13.047 27.539 1.00 54.23 H new ATOM 0 HG23 THR A 104 8.669 11.678 27.422 1.00 54.23 H new ATOM 1426 N LYS A 105 9.602 14.575 25.656 1.00 24.42 N ATOM 1427 CA LYS A 105 10.001 15.977 25.657 1.00 64.04 C ATOM 1428 C LYS A 105 11.521 16.110 25.630 1.00 13.42 C ATOM 1429 O LYS A 105 12.231 15.170 25.275 1.00 70.44 O ATOM 1430 CB LYS A 105 9.438 16.689 26.889 1.00 73.35 C ATOM 1431 CG LYS A 105 9.571 15.884 28.170 1.00 43.21 C ATOM 1432 CD LYS A 105 10.204 16.706 29.281 1.00 60.34 C ATOM 1433 CE LYS A 105 9.759 16.224 30.653 1.00 61.20 C ATOM 1434 NZ LYS A 105 9.458 17.359 31.569 1.00 64.12 N ATOM 0 H LYS A 105 8.907 14.335 26.363 1.00 24.42 H new ATOM 0 HA LYS A 105 9.597 16.444 24.759 1.00 64.04 H new ATOM 0 HB2 LYS A 105 9.952 17.642 27.014 1.00 73.35 H new ATOM 0 HB3 LYS A 105 8.385 16.914 26.719 1.00 73.35 H new ATOM 0 HG2 LYS A 105 8.587 15.538 28.487 1.00 43.21 H new ATOM 0 HG3 LYS A 105 10.176 14.997 27.982 1.00 43.21 H new ATOM 0 HD2 LYS A 105 11.290 16.645 29.207 1.00 60.34 H new ATOM 0 HD3 LYS A 105 9.935 17.755 29.158 1.00 60.34 H new ATOM 0 HE2 LYS A 105 8.873 15.597 30.548 1.00 61.20 H new ATOM 0 HE3 LYS A 105 10.540 15.602 31.090 1.00 61.20 H new ATOM 0 HZ1 LYS A 105 9.158 16.989 32.494 1.00 64.12 H new ATOM 0 HZ2 LYS A 105 10.310 17.943 31.690 1.00 64.12 H new ATOM 0 HZ3 LYS A 105 8.695 17.939 31.164 1.00 64.12 H new ATOM 1448 N LYS A 106 12.014 17.284 26.010 1.00 53.31 N ATOM 1449 CA LYS A 106 13.449 17.541 26.033 1.00 72.22 C ATOM 1450 C LYS A 106 14.235 16.234 26.060 1.00 33.22 C ATOM 1451 O LYS A 106 15.297 16.125 25.449 1.00 61.41 O ATOM 1452 CB LYS A 106 13.816 18.395 27.249 1.00 71.53 C ATOM 1453 CG LYS A 106 15.312 18.572 27.438 1.00 44.12 C ATOM 1454 CD LYS A 106 15.624 19.413 28.665 1.00 54.25 C ATOM 1455 CE LYS A 106 16.444 18.634 29.681 1.00 31.01 C ATOM 1456 NZ LYS A 106 15.596 17.715 30.490 1.00 24.13 N ATOM 0 H LYS A 106 11.440 18.073 26.307 1.00 53.31 H new ATOM 0 HA LYS A 106 13.710 18.083 25.124 1.00 72.22 H new ATOM 0 HB2 LYS A 106 13.353 19.376 27.147 1.00 71.53 H new ATOM 0 HB3 LYS A 106 13.397 17.936 28.145 1.00 71.53 H new ATOM 0 HG2 LYS A 106 15.785 17.595 27.536 1.00 44.12 H new ATOM 0 HG3 LYS A 106 15.738 19.046 26.553 1.00 44.12 H new ATOM 0 HD2 LYS A 106 16.169 20.308 28.365 1.00 54.25 H new ATOM 0 HD3 LYS A 106 14.694 19.746 29.125 1.00 54.25 H new ATOM 0 HE2 LYS A 106 17.212 18.059 29.164 1.00 31.01 H new ATOM 0 HE3 LYS A 106 16.959 19.330 30.343 1.00 31.01 H new ATOM 0 HZ1 LYS A 106 16.192 17.202 31.171 1.00 24.13 H new ATOM 0 HZ2 LYS A 106 14.879 18.266 31.004 1.00 24.13 H new ATOM 0 HZ3 LYS A 106 15.124 17.034 29.861 1.00 24.13 H new ATOM 1470 N ALA A 107 13.704 15.245 26.772 1.00 64.51 N ATOM 1471 CA ALA A 107 14.355 13.944 26.875 1.00 12.25 C ATOM 1472 C ALA A 107 14.395 13.241 25.523 1.00 41.22 C ATOM 1473 O ALA A 107 13.861 13.729 24.527 1.00 71.15 O ATOM 1474 CB ALA A 107 13.641 13.077 27.902 1.00 53.21 C ATOM 0 H ALA A 107 12.826 15.320 27.285 1.00 64.51 H new ATOM 0 HA ALA A 107 15.382 14.104 27.202 1.00 12.25 H new ATOM 0 HB1 ALA A 107 14.137 12.109 27.969 1.00 53.21 H new ATOM 0 HB2 ALA A 107 13.670 13.567 28.875 1.00 53.21 H new ATOM 0 HB3 ALA A 107 12.604 12.933 27.599 1.00 53.21 H new ATOM 1480 N PRO A 108 15.044 12.068 25.484 1.00 71.11 N ATOM 1481 CA PRO A 108 15.170 11.273 24.259 1.00 55.14 C ATOM 1482 C PRO A 108 13.841 10.664 23.824 1.00 52.32 C ATOM 1483 O PRO A 108 12.809 10.882 24.460 1.00 71.34 O ATOM 1484 CB PRO A 108 16.159 10.173 24.649 1.00 23.25 C ATOM 1485 CG PRO A 108 16.021 10.046 26.127 1.00 1.44 C ATOM 1486 CD PRO A 108 15.704 11.427 26.633 1.00 24.42 C ATOM 0 HA PRO A 108 15.496 11.878 23.413 1.00 55.14 H new ATOM 0 HB2 PRO A 108 15.925 9.234 24.147 1.00 23.25 H new ATOM 0 HB3 PRO A 108 17.178 10.439 24.368 1.00 23.25 H new ATOM 0 HG2 PRO A 108 15.229 9.344 26.386 1.00 1.44 H new ATOM 0 HG3 PRO A 108 16.941 9.668 26.574 1.00 1.44 H new ATOM 0 HD2 PRO A 108 15.051 11.395 27.505 1.00 24.42 H new ATOM 0 HD3 PRO A 108 16.606 11.963 26.929 1.00 24.42 H new ATOM 1494 N CYS A 109 13.873 9.901 22.737 1.00 73.51 N ATOM 1495 CA CYS A 109 12.671 9.260 22.216 1.00 21.35 C ATOM 1496 C CYS A 109 12.271 8.069 23.083 1.00 13.21 C ATOM 1497 O CYS A 109 13.102 7.490 23.783 1.00 51.35 O ATOM 1498 CB CYS A 109 12.896 8.802 20.774 1.00 20.21 C ATOM 1499 SG CYS A 109 12.153 9.897 19.522 1.00 64.11 S ATOM 0 H CYS A 109 14.719 9.711 22.199 1.00 73.51 H new ATOM 0 HA CYS A 109 11.862 9.990 22.236 1.00 21.35 H new ATOM 0 HB2 CYS A 109 13.968 8.732 20.589 1.00 20.21 H new ATOM 0 HB3 CYS A 109 12.485 7.799 20.654 1.00 20.21 H new ATOM 1504 N TRP A 110 10.993 7.710 23.031 1.00 42.12 N ATOM 1505 CA TRP A 110 10.482 6.588 23.811 1.00 43.43 C ATOM 1506 C TRP A 110 9.614 5.677 22.950 1.00 42.41 C ATOM 1507 O TRP A 110 9.142 6.079 21.886 1.00 22.40 O ATOM 1508 CB TRP A 110 9.678 7.098 25.008 1.00 21.51 C ATOM 1509 CG TRP A 110 8.373 6.384 25.194 1.00 25.52 C ATOM 1510 CD1 TRP A 110 7.286 6.434 24.369 1.00 4.31 C ATOM 1511 CD2 TRP A 110 8.019 5.514 26.275 1.00 62.32 C ATOM 1512 NE1 TRP A 110 6.278 5.648 24.872 1.00 54.32 N ATOM 1513 CE2 TRP A 110 6.702 5.072 26.040 1.00 44.14 C ATOM 1514 CE3 TRP A 110 8.687 5.063 27.417 1.00 53.21 C ATOM 1515 CZ2 TRP A 110 6.043 4.204 26.906 1.00 71.04 C ATOM 1516 CZ3 TRP A 110 8.031 4.202 28.276 1.00 74.14 C ATOM 1517 CH2 TRP A 110 6.720 3.779 28.016 1.00 21.11 C ATOM 0 H TRP A 110 10.292 8.179 22.457 1.00 42.12 H new ATOM 0 HA TRP A 110 11.333 6.011 24.173 1.00 43.43 H new ATOM 0 HB2 TRP A 110 10.277 6.988 25.912 1.00 21.51 H new ATOM 0 HB3 TRP A 110 9.486 8.163 24.881 1.00 21.51 H new ATOM 0 HD1 TRP A 110 7.227 7.007 23.456 1.00 4.31 H new ATOM 0 HE1 TRP A 110 5.362 5.515 24.445 1.00 54.32 H new ATOM 0 HE3 TRP A 110 9.698 5.382 27.624 1.00 53.21 H new ATOM 0 HZ2 TRP A 110 5.033 3.878 26.708 1.00 71.04 H new ATOM 0 HZ3 TRP A 110 8.537 3.849 29.163 1.00 74.14 H new ATOM 0 HH2 TRP A 110 6.235 3.104 28.706 1.00 21.11 H new ATOM 1528 N ARG A 111 9.407 4.450 23.416 1.00 4.35 N ATOM 1529 CA ARG A 111 8.596 3.482 22.688 1.00 44.52 C ATOM 1530 C ARG A 111 7.699 2.698 23.641 1.00 52.35 C ATOM 1531 O ARG A 111 8.000 2.569 24.828 1.00 50.02 O ATOM 1532 CB ARG A 111 9.492 2.520 21.906 1.00 44.11 C ATOM 1533 CG ARG A 111 10.978 2.769 22.111 1.00 72.42 C ATOM 1534 CD ARG A 111 11.822 1.746 21.366 1.00 74.11 C ATOM 1535 NE ARG A 111 11.777 0.432 22.002 1.00 2.11 N ATOM 1536 CZ ARG A 111 12.664 -0.529 21.767 1.00 53.33 C ATOM 1537 NH1 ARG A 111 13.659 -0.323 20.915 1.00 75.24 N ATOM 1538 NH2 ARG A 111 12.556 -1.698 22.385 1.00 64.14 N ATOM 0 H ARG A 111 9.790 4.103 24.295 1.00 4.35 H new ATOM 0 HA ARG A 111 7.963 4.028 21.988 1.00 44.52 H new ATOM 0 HB2 ARG A 111 9.259 1.497 22.203 1.00 44.11 H new ATOM 0 HB3 ARG A 111 9.261 2.604 20.844 1.00 44.11 H new ATOM 0 HG2 ARG A 111 11.231 3.772 21.766 1.00 72.42 H new ATOM 0 HG3 ARG A 111 11.211 2.729 23.175 1.00 72.42 H new ATOM 0 HD2 ARG A 111 11.468 1.664 20.338 1.00 74.11 H new ATOM 0 HD3 ARG A 111 12.855 2.092 21.321 1.00 74.11 H new ATOM 0 HE ARG A 111 11.024 0.242 22.663 1.00 2.11 H new ATOM 0 HH11 ARG A 111 13.745 0.575 20.438 1.00 75.24 H new ATOM 0 HH12 ARG A 111 14.339 -1.062 20.736 1.00 75.24 H new ATOM 0 HH21 ARG A 111 11.792 -1.859 23.041 1.00 64.14 H new ATOM 0 HH22 ARG A 111 13.237 -2.435 22.204 1.00 64.14 H new ATOM 1552 N CYS A 112 6.597 2.178 23.113 1.00 74.12 N ATOM 1553 CA CYS A 112 5.654 1.407 23.916 1.00 1.44 C ATOM 1554 C CYS A 112 6.377 0.329 24.717 1.00 71.23 C ATOM 1555 O CYS A 112 6.864 -0.652 24.155 1.00 11.13 O ATOM 1556 CB CYS A 112 4.591 0.769 23.021 1.00 1.11 C ATOM 1557 SG CYS A 112 3.622 -0.524 23.833 1.00 62.05 S ATOM 0 H CYS A 112 6.334 2.276 22.132 1.00 74.12 H new ATOM 0 HA CYS A 112 5.168 2.088 24.614 1.00 1.44 H new ATOM 0 HB2 CYS A 112 3.915 1.547 22.667 1.00 1.11 H new ATOM 0 HB3 CYS A 112 5.078 0.346 22.142 1.00 1.11 H new ATOM 0 HG CYS A 112 2.921 -1.163 22.944 1.00 62.05 H new ATOM 1563 N GLU A 113 6.444 0.519 26.031 1.00 74.23 N ATOM 1564 CA GLU A 113 7.110 -0.437 26.907 1.00 33.43 C ATOM 1565 C GLU A 113 6.099 -1.157 27.795 1.00 33.50 C ATOM 1566 O GLU A 113 5.186 -0.539 28.343 1.00 2.13 O ATOM 1567 CB GLU A 113 8.152 0.272 27.774 1.00 11.04 C ATOM 1568 CG GLU A 113 9.285 -0.633 28.227 1.00 63.34 C ATOM 1569 CD GLU A 113 8.828 -1.694 29.210 1.00 43.54 C ATOM 1570 OE1 GLU A 113 7.930 -1.398 30.025 1.00 0.43 O ATOM 1571 OE2 GLU A 113 9.369 -2.818 29.164 1.00 75.33 O ATOM 0 H GLU A 113 6.045 1.326 26.512 1.00 74.23 H new ATOM 0 HA GLU A 113 7.610 -1.176 26.282 1.00 33.43 H new ATOM 0 HB2 GLU A 113 8.569 1.109 27.214 1.00 11.04 H new ATOM 0 HB3 GLU A 113 7.659 0.689 28.652 1.00 11.04 H new ATOM 0 HG2 GLU A 113 9.729 -1.117 27.357 1.00 63.34 H new ATOM 0 HG3 GLU A 113 10.066 -0.028 28.688 1.00 63.34 H new ATOM 1721 N CYS A 123 6.978 -1.827 19.844 1.00 24.12 N ATOM 1722 CA CYS A 123 6.889 -0.371 19.837 1.00 21.22 C ATOM 1723 C CYS A 123 6.497 0.143 18.456 1.00 60.12 C ATOM 1724 O CYS A 123 7.039 -0.296 17.442 1.00 12.21 O ATOM 1725 CB CYS A 123 8.222 0.244 20.264 1.00 4.43 C ATOM 1726 SG CYS A 123 9.663 -0.464 19.432 1.00 53.54 S ATOM 0 HA CYS A 123 6.117 -0.075 20.547 1.00 21.22 H new ATOM 0 HB2 CYS A 123 8.194 1.316 20.069 1.00 4.43 H new ATOM 0 HB3 CYS A 123 8.339 0.118 21.340 1.00 4.43 H new ATOM 0 HG CYS A 123 10.286 0.469 18.775 1.00 53.54 H new ATOM 1732 N GLY A 124 5.550 1.075 18.424 1.00 53.42 N ATOM 1733 CA GLY A 124 5.100 1.633 17.162 1.00 74.44 C ATOM 1734 C GLY A 124 4.595 0.570 16.206 1.00 74.20 C ATOM 1735 O GLY A 124 4.298 0.859 15.046 1.00 64.10 O ATOM 0 H GLY A 124 5.086 1.454 19.250 1.00 53.42 H new ATOM 0 HA2 GLY A 124 4.306 2.355 17.350 1.00 74.44 H new ATOM 0 HA3 GLY A 124 5.921 2.177 16.695 1.00 74.44 H new ATOM 1739 N CYS A 125 4.498 -0.663 16.692 1.00 14.50 N ATOM 1740 CA CYS A 125 4.027 -1.773 15.872 1.00 63.23 C ATOM 1741 C CYS A 125 2.505 -1.778 15.785 1.00 54.05 C ATOM 1742 O CYS A 125 1.919 -2.566 15.043 1.00 52.11 O ATOM 1743 CB CYS A 125 4.522 -3.102 16.444 1.00 33.33 C ATOM 1744 SG CYS A 125 6.316 -3.199 16.642 1.00 64.25 S ATOM 0 H CYS A 125 4.739 -0.919 17.650 1.00 14.50 H new ATOM 0 HA CYS A 125 4.429 -1.646 14.867 1.00 63.23 H new ATOM 0 HB2 CYS A 125 4.051 -3.266 17.413 1.00 33.33 H new ATOM 0 HB3 CYS A 125 4.195 -3.911 15.790 1.00 33.33 H new ATOM 0 HG CYS A 125 6.779 -2.033 16.983 1.00 64.25 H new ATOM 1750 N GLU A 126 1.870 -0.894 16.549 1.00 44.05 N ATOM 1751 CA GLU A 126 0.415 -0.799 16.559 1.00 44.13 C ATOM 1752 C GLU A 126 -0.084 0.028 15.377 1.00 31.23 C ATOM 1753 O GLU A 126 -1.156 0.632 15.438 1.00 61.44 O ATOM 1754 CB GLU A 126 -0.068 -0.178 17.871 1.00 51.42 C ATOM 1755 CG GLU A 126 -1.139 -0.996 18.573 1.00 5.45 C ATOM 1756 CD GLU A 126 -2.487 -0.302 18.589 1.00 3.42 C ATOM 1757 OE1 GLU A 126 -2.968 0.083 17.503 1.00 60.23 O ATOM 1758 OE2 GLU A 126 -3.060 -0.143 19.687 1.00 51.31 O ATOM 0 H GLU A 126 2.340 -0.234 17.168 1.00 44.05 H new ATOM 0 HA GLU A 126 0.009 -1.807 16.472 1.00 44.13 H new ATOM 0 HB2 GLU A 126 0.783 -0.058 18.541 1.00 51.42 H new ATOM 0 HB3 GLU A 126 -0.458 0.819 17.669 1.00 51.42 H new ATOM 0 HG2 GLU A 126 -1.237 -1.961 18.076 1.00 5.45 H new ATOM 0 HG3 GLU A 126 -0.825 -1.195 19.598 1.00 5.45 H new ATOM 1765 N CYS A 127 0.700 0.050 14.305 1.00 11.33 N ATOM 1766 CA CYS A 127 0.339 0.804 13.110 1.00 72.23 C ATOM 1767 C CYS A 127 1.096 0.286 11.891 1.00 33.52 C ATOM 1768 O CYS A 127 2.000 -0.540 12.015 1.00 62.32 O ATOM 1769 CB CYS A 127 0.630 2.291 13.312 1.00 45.44 C ATOM 1770 SG CYS A 127 -0.565 3.392 12.519 1.00 10.31 S ATOM 0 H CYS A 127 1.589 -0.445 14.239 1.00 11.33 H new ATOM 0 HA CYS A 127 -0.729 0.671 12.936 1.00 72.23 H new ATOM 0 HB2 CYS A 127 0.651 2.504 14.381 1.00 45.44 H new ATOM 0 HB3 CYS A 127 1.624 2.512 12.924 1.00 45.44 H new ATOM 0 HG CYS A 127 -1.759 3.125 12.958 1.00 10.31 H new ATOM 1776 N SER A 128 0.718 0.775 10.714 1.00 24.14 N ATOM 1777 CA SER A 128 1.358 0.357 9.472 1.00 12.12 C ATOM 1778 C SER A 128 2.702 1.055 9.292 1.00 45.11 C ATOM 1779 O SER A 128 3.107 1.873 10.118 1.00 12.24 O ATOM 1780 CB SER A 128 0.449 0.660 8.279 1.00 22.12 C ATOM 1781 OG SER A 128 1.156 0.542 7.057 1.00 44.42 O ATOM 0 H SER A 128 -0.028 1.461 10.594 1.00 24.14 H new ATOM 0 HA SER A 128 1.531 -0.718 9.525 1.00 12.12 H new ATOM 0 HB2 SER A 128 -0.399 -0.025 8.280 1.00 22.12 H new ATOM 0 HB3 SER A 128 0.044 1.668 8.373 1.00 22.12 H new ATOM 0 HG SER A 128 1.275 1.430 6.661 1.00 44.42 H new ATOM 1787 N LYS A 129 3.392 0.726 8.205 1.00 74.14 N ATOM 1788 CA LYS A 129 4.691 1.320 7.912 1.00 15.33 C ATOM 1789 C LYS A 129 4.574 2.833 7.758 1.00 41.34 C ATOM 1790 O LYS A 129 4.673 3.364 6.650 1.00 21.14 O ATOM 1791 CB LYS A 129 5.278 0.710 6.638 1.00 43.42 C ATOM 1792 CG LYS A 129 6.628 1.291 6.252 1.00 30.32 C ATOM 1793 CD LYS A 129 7.576 1.335 7.439 1.00 34.11 C ATOM 1794 CE LYS A 129 9.025 1.439 6.991 1.00 5.22 C ATOM 1795 NZ LYS A 129 9.585 2.797 7.236 1.00 43.20 N ATOM 0 H LYS A 129 3.072 0.050 7.511 1.00 74.14 H new ATOM 0 HA LYS A 129 5.357 1.108 8.748 1.00 15.33 H new ATOM 0 HB2 LYS A 129 5.381 -0.367 6.774 1.00 43.42 H new ATOM 0 HB3 LYS A 129 4.578 0.862 5.816 1.00 43.42 H new ATOM 0 HG2 LYS A 129 7.069 0.692 5.455 1.00 30.32 H new ATOM 0 HG3 LYS A 129 6.492 2.297 5.856 1.00 30.32 H new ATOM 0 HD2 LYS A 129 7.328 2.186 8.073 1.00 34.11 H new ATOM 0 HD3 LYS A 129 7.445 0.438 8.044 1.00 34.11 H new ATOM 0 HE2 LYS A 129 9.623 0.698 7.522 1.00 5.22 H new ATOM 0 HE3 LYS A 129 9.095 1.204 5.929 1.00 5.22 H new ATOM 0 HZ1 LYS A 129 9.951 3.188 6.344 1.00 43.20 H new ATOM 0 HZ2 LYS A 129 8.838 3.419 7.606 1.00 43.20 H new ATOM 0 HZ3 LYS A 129 10.358 2.734 7.929 1.00 43.20 H new ATOM 1809 N LEU A 130 4.365 3.523 8.873 1.00 12.05 N ATOM 1810 CA LEU A 130 4.237 4.976 8.862 1.00 14.21 C ATOM 1811 C LEU A 130 5.478 5.628 8.262 1.00 63.32 C ATOM 1812 O LEU A 130 6.560 5.042 8.224 1.00 24.45 O ATOM 1813 CB LEU A 130 4.008 5.499 10.281 1.00 21.14 C ATOM 1814 CG LEU A 130 4.899 4.898 11.369 1.00 34.05 C ATOM 1815 CD1 LEU A 130 5.990 5.879 11.768 1.00 63.01 C ATOM 1816 CD2 LEU A 130 4.067 4.502 12.581 1.00 60.33 C ATOM 0 H LEU A 130 4.280 3.100 9.797 1.00 12.05 H new ATOM 0 HA LEU A 130 3.378 5.235 8.243 1.00 14.21 H new ATOM 0 HB2 LEU A 130 4.153 6.579 10.276 1.00 21.14 H new ATOM 0 HB3 LEU A 130 2.967 5.318 10.550 1.00 21.14 H new ATOM 0 HG LEU A 130 5.373 4.002 10.969 1.00 34.05 H new ATOM 0 HD11 LEU A 130 6.614 5.434 12.543 1.00 63.01 H new ATOM 0 HD12 LEU A 130 6.604 6.114 10.898 1.00 63.01 H new ATOM 0 HD13 LEU A 130 5.535 6.794 12.149 1.00 63.01 H new ATOM 0 HD21 LEU A 130 4.717 4.076 13.345 1.00 60.33 H new ATOM 0 HD22 LEU A 130 3.565 5.383 12.981 1.00 60.33 H new ATOM 0 HD23 LEU A 130 3.322 3.763 12.285 1.00 60.33 H new ATOM 1828 N PRO A 131 5.322 6.870 7.782 1.00 14.41 N ATOM 1829 CA PRO A 131 6.420 7.630 7.177 1.00 30.14 C ATOM 1830 C PRO A 131 7.466 8.052 8.203 1.00 1.52 C ATOM 1831 O PRO A 131 8.655 8.138 7.894 1.00 51.14 O ATOM 1832 CB PRO A 131 5.721 8.858 6.590 1.00 54.21 C ATOM 1833 CG PRO A 131 4.487 9.020 7.409 1.00 31.22 C ATOM 1834 CD PRO A 131 4.060 7.630 7.794 1.00 41.14 C ATOM 0 HA PRO A 131 6.966 7.041 6.440 1.00 30.14 H new ATOM 0 HB2 PRO A 131 6.356 9.742 6.652 1.00 54.21 H new ATOM 0 HB3 PRO A 131 5.481 8.711 5.537 1.00 54.21 H new ATOM 0 HG2 PRO A 131 4.682 9.627 8.293 1.00 31.22 H new ATOM 0 HG3 PRO A 131 3.705 9.525 6.841 1.00 31.22 H new ATOM 0 HD2 PRO A 131 3.589 7.612 8.777 1.00 41.14 H new ATOM 0 HD3 PRO A 131 3.338 7.221 7.087 1.00 41.14 H new ATOM 1842 N CYS A 132 7.017 8.315 9.426 1.00 51.32 N ATOM 1843 CA CYS A 132 7.914 8.729 10.498 1.00 12.11 C ATOM 1844 C CYS A 132 8.529 7.517 11.191 1.00 61.42 C ATOM 1845 O CYS A 132 8.389 7.343 12.401 1.00 61.25 O ATOM 1846 CB CYS A 132 7.162 9.586 11.518 1.00 34.24 C ATOM 1847 SG CYS A 132 8.218 10.275 12.833 1.00 54.10 S ATOM 0 H CYS A 132 6.036 8.249 9.699 1.00 51.32 H new ATOM 0 HA CYS A 132 8.717 9.320 10.058 1.00 12.11 H new ATOM 0 HB2 CYS A 132 6.670 10.406 10.995 1.00 34.24 H new ATOM 0 HB3 CYS A 132 6.378 8.983 11.975 1.00 34.24 H new ATOM 1852 N ASN A 133 9.211 6.681 10.414 1.00 41.11 N ATOM 1853 CA ASN A 133 9.848 5.485 10.952 1.00 31.42 C ATOM 1854 C ASN A 133 11.308 5.403 10.517 1.00 72.43 C ATOM 1855 O ASN A 133 11.818 4.322 10.221 1.00 43.11 O ATOM 1856 CB ASN A 133 9.097 4.232 10.495 1.00 13.43 C ATOM 1857 CG ASN A 133 8.885 3.241 11.623 1.00 4.13 C ATOM 1858 OD1 ASN A 133 7.761 2.818 11.890 1.00 15.12 O ATOM 1859 ND2 ASN A 133 9.970 2.866 12.292 1.00 13.10 N ATOM 0 H ASN A 133 9.336 6.810 9.410 1.00 41.11 H new ATOM 0 HA ASN A 133 9.814 5.544 12.040 1.00 31.42 H new ATOM 0 HB2 ASN A 133 8.130 4.521 10.083 1.00 13.43 H new ATOM 0 HB3 ASN A 133 9.655 3.750 9.692 1.00 13.43 H new ATOM 0 HD21 ASN A 133 9.890 2.201 13.062 1.00 13.10 H new ATOM 0 HD22 ASN A 133 10.883 3.243 12.036 1.00 13.10 H new ATOM 2085 N ASP A 149 9.632 6.730 15.711 1.00 62.33 N ATOM 2086 CA ASP A 149 8.265 6.401 16.098 1.00 61.14 C ATOM 2087 C ASP A 149 7.604 7.577 16.811 1.00 65.53 C ATOM 2088 O ASP A 149 7.819 7.793 18.004 1.00 74.51 O ATOM 2089 CB ASP A 149 8.251 5.167 17.001 1.00 31.02 C ATOM 2090 CG ASP A 149 9.256 5.266 18.132 1.00 61.33 C ATOM 2091 OD1 ASP A 149 8.886 5.770 19.213 1.00 42.43 O ATOM 2092 OD2 ASP A 149 10.413 4.838 17.936 1.00 74.51 O ATOM 0 HA ASP A 149 7.699 6.185 15.192 1.00 61.14 H new ATOM 0 HB2 ASP A 149 7.252 5.036 17.417 1.00 31.02 H new ATOM 0 HB3 ASP A 149 8.466 4.281 16.404 1.00 31.02 H new ATOM 2097 N CYS A 150 6.801 8.335 16.072 1.00 63.52 N ATOM 2098 CA CYS A 150 6.110 9.490 16.632 1.00 61.52 C ATOM 2099 C CYS A 150 4.662 9.146 16.970 1.00 62.24 C ATOM 2100 O CYS A 150 3.928 8.612 16.138 1.00 64.35 O ATOM 2101 CB CYS A 150 6.152 10.661 15.649 1.00 54.12 C ATOM 2102 SG CYS A 150 7.683 10.754 14.667 1.00 4.12 S ATOM 0 H CYS A 150 6.613 8.170 15.083 1.00 63.52 H new ATOM 0 HA CYS A 150 6.620 9.778 17.551 1.00 61.52 H new ATOM 0 HB2 CYS A 150 5.302 10.582 14.971 1.00 54.12 H new ATOM 0 HB3 CYS A 150 6.032 11.592 16.204 1.00 54.12 H new ATOM 2107 N LYS A 151 4.257 9.456 18.196 1.00 1.14 N ATOM 2108 CA LYS A 151 2.897 9.183 18.646 1.00 62.42 C ATOM 2109 C LYS A 151 2.471 10.174 19.724 1.00 72.30 C ATOM 2110 O LYS A 151 1.932 11.240 19.424 1.00 33.34 O ATOM 2111 CB LYS A 151 2.793 7.753 19.182 1.00 2.12 C ATOM 2112 CG LYS A 151 1.379 7.199 19.167 1.00 0.35 C ATOM 2113 CD LYS A 151 0.480 7.939 20.144 1.00 23.34 C ATOM 2114 CE LYS A 151 -0.316 9.033 19.451 1.00 41.25 C ATOM 2115 NZ LYS A 151 -0.932 9.975 20.426 1.00 21.52 N ATOM 0 H LYS A 151 4.852 9.897 18.897 1.00 1.14 H new ATOM 0 HA LYS A 151 2.229 9.294 17.792 1.00 62.42 H new ATOM 0 HB2 LYS A 151 3.435 7.103 18.587 1.00 2.12 H new ATOM 0 HB3 LYS A 151 3.173 7.728 20.203 1.00 2.12 H new ATOM 0 HG2 LYS A 151 0.967 7.278 18.161 1.00 0.35 H new ATOM 0 HG3 LYS A 151 1.400 6.139 19.421 1.00 0.35 H new ATOM 0 HD2 LYS A 151 -0.204 7.234 20.616 1.00 23.34 H new ATOM 0 HD3 LYS A 151 1.086 8.376 20.938 1.00 23.34 H new ATOM 0 HE2 LYS A 151 0.338 9.585 18.776 1.00 41.25 H new ATOM 0 HE3 LYS A 151 -1.097 8.581 18.839 1.00 41.25 H new ATOM 0 HZ1 LYS A 151 -1.929 10.132 20.175 1.00 21.52 H new ATOM 0 HZ2 LYS A 151 -0.876 9.570 21.382 1.00 21.52 H new ATOM 0 HZ3 LYS A 151 -0.422 10.881 20.403 1.00 21.52 H new ATOM 2129 N THR A 152 2.717 9.816 20.981 1.00 54.43 N ATOM 2130 CA THR A 152 2.359 10.674 22.103 1.00 15.22 C ATOM 2131 C THR A 152 3.391 11.778 22.303 1.00 20.31 C ATOM 2132 O THR A 152 3.504 12.346 23.390 1.00 74.50 O ATOM 2133 CB THR A 152 2.228 9.866 23.408 1.00 11.52 C ATOM 2134 OG1 THR A 152 3.186 8.802 23.424 1.00 53.15 O ATOM 2135 CG2 THR A 152 0.825 9.295 23.553 1.00 3.51 C ATOM 0 H THR A 152 3.163 8.938 21.247 1.00 54.43 H new ATOM 0 HA THR A 152 1.395 11.122 21.863 1.00 15.22 H new ATOM 0 HB THR A 152 2.418 10.537 24.245 1.00 11.52 H new ATOM 0 HG1 THR A 152 3.951 9.059 23.980 1.00 53.15 H new ATOM 0 HG21 THR A 152 0.757 8.729 24.482 1.00 3.51 H new ATOM 0 HG22 THR A 152 0.101 10.109 23.571 1.00 3.51 H new ATOM 0 HG23 THR A 152 0.611 8.637 22.711 1.00 3.51 H new ATOM 2143 N ILE A 153 4.142 12.077 21.249 1.00 51.14 N ATOM 2144 CA ILE A 153 5.164 13.115 21.309 1.00 31.40 C ATOM 2145 C ILE A 153 4.684 14.313 22.121 1.00 75.14 C ATOM 2146 O ILE A 153 3.485 14.584 22.199 1.00 12.11 O ATOM 2147 CB ILE A 153 5.567 13.591 19.901 1.00 72.31 C ATOM 2148 CG1 ILE A 153 6.558 14.753 19.996 1.00 72.43 C ATOM 2149 CG2 ILE A 153 4.335 14.001 19.108 1.00 11.51 C ATOM 2150 CD1 ILE A 153 7.398 14.933 18.751 1.00 24.20 C ATOM 0 H ILE A 153 4.062 11.615 20.343 1.00 51.14 H new ATOM 0 HA ILE A 153 6.033 12.674 21.797 1.00 31.40 H new ATOM 0 HB ILE A 153 6.053 12.766 19.379 1.00 72.31 H new ATOM 0 HG12 ILE A 153 6.008 15.674 20.190 1.00 72.43 H new ATOM 0 HG13 ILE A 153 7.217 14.589 20.849 1.00 72.43 H new ATOM 0 HG21 ILE A 153 4.636 14.335 18.115 1.00 11.51 H new ATOM 0 HG22 ILE A 153 3.662 13.149 19.016 1.00 11.51 H new ATOM 0 HG23 ILE A 153 3.824 14.813 19.625 1.00 11.51 H new ATOM 0 HD11 ILE A 153 8.077 15.774 18.889 1.00 24.20 H new ATOM 0 HD12 ILE A 153 7.975 14.027 18.567 1.00 24.20 H new ATOM 0 HD13 ILE A 153 6.748 15.128 17.898 1.00 24.20 H new ATOM 2268 N TYR A 162 2.923 15.724 26.364 1.00 43.22 N ATOM 2269 CA TYR A 162 2.463 14.771 25.361 1.00 20.44 C ATOM 2270 C TYR A 162 1.340 15.367 24.518 1.00 63.55 C ATOM 2271 O TYR A 162 0.665 16.307 24.937 1.00 74.22 O ATOM 2272 CB TYR A 162 1.982 13.484 26.034 1.00 24.31 C ATOM 2273 CG TYR A 162 0.767 13.677 26.912 1.00 74.11 C ATOM 2274 CD1 TYR A 162 0.887 14.198 28.194 1.00 2.51 C ATOM 2275 CD2 TYR A 162 -0.502 13.337 26.460 1.00 54.03 C ATOM 2276 CE1 TYR A 162 -0.221 14.376 29.000 1.00 3.21 C ATOM 2277 CE2 TYR A 162 -1.616 13.513 27.258 1.00 21.31 C ATOM 2278 CZ TYR A 162 -1.470 14.032 28.527 1.00 0.35 C ATOM 2279 OH TYR A 162 -2.577 14.207 29.326 1.00 4.44 O ATOM 0 HA TYR A 162 3.302 14.539 24.705 1.00 20.44 H new ATOM 0 HB2 TYR A 162 1.751 12.747 25.265 1.00 24.31 H new ATOM 0 HB3 TYR A 162 2.793 13.074 26.636 1.00 24.31 H new ATOM 0 HD1 TYR A 162 1.864 14.469 28.567 1.00 2.51 H new ATOM 0 HD2 TYR A 162 -0.620 12.928 25.467 1.00 54.03 H new ATOM 0 HE1 TYR A 162 -0.110 14.782 29.995 1.00 3.21 H new ATOM 0 HE2 TYR A 162 -2.596 13.246 26.890 1.00 21.31 H new ATOM 0 HH TYR A 162 -3.379 13.917 28.843 1.00 4.44 H new ATOM 2289 N HIS A 163 1.147 14.812 23.325 1.00 33.22 N ATOM 2290 CA HIS A 163 0.105 15.286 22.421 1.00 2.51 C ATOM 2291 C HIS A 163 -1.253 14.706 22.805 1.00 42.35 C ATOM 2292 O HIS A 163 -2.093 15.396 23.382 1.00 3.23 O ATOM 2293 CB HIS A 163 0.444 14.912 20.978 1.00 54.22 C ATOM 2294 CG HIS A 163 1.343 15.899 20.298 1.00 31.54 C ATOM 2295 ND1 HIS A 163 2.196 16.737 20.985 1.00 71.40 N ATOM 2296 CD2 HIS A 163 1.520 16.177 18.986 1.00 62.23 C ATOM 2297 CE1 HIS A 163 2.858 17.489 20.124 1.00 13.01 C ATOM 2298 NE2 HIS A 163 2.466 17.169 18.904 1.00 64.31 N ATOM 0 H HIS A 163 1.698 14.034 22.962 1.00 33.22 H new ATOM 0 HA HIS A 163 0.052 16.372 22.504 1.00 2.51 H new ATOM 0 HB2 HIS A 163 0.921 13.932 20.968 1.00 54.22 H new ATOM 0 HB3 HIS A 163 -0.481 14.822 20.408 1.00 54.22 H new ATOM 0 HD2 HIS A 163 1.012 15.706 18.157 1.00 62.23 H new ATOM 0 HE1 HIS A 163 3.594 18.238 20.375 1.00 13.01 H new ATOM 0 HE2 HIS A 163 2.810 17.590 18.041 1.00 64.31 H new ATOM 2306 N SER A 164 -1.461 13.435 22.478 1.00 32.33 N ATOM 2307 CA SER A 164 -2.719 12.763 22.784 1.00 1.24 C ATOM 2308 C SER A 164 -2.566 11.249 22.680 1.00 24.12 C ATOM 2309 O SER A 164 -1.493 10.703 22.940 1.00 61.13 O ATOM 2310 CB SER A 164 -3.821 13.242 21.837 1.00 22.01 C ATOM 2311 OG SER A 164 -5.104 13.027 22.398 1.00 13.30 O ATOM 0 H SER A 164 -0.775 12.850 22.001 1.00 32.33 H new ATOM 0 HA SER A 164 -2.996 13.013 23.808 1.00 1.24 H new ATOM 0 HB2 SER A 164 -3.687 14.303 21.624 1.00 22.01 H new ATOM 0 HB3 SER A 164 -3.743 12.714 20.887 1.00 22.01 H new ATOM 0 HG SER A 164 -5.791 13.343 21.774 1.00 13.30 H new ATOM 2317 N TYR A 165 -3.646 10.576 22.299 1.00 44.31 N ATOM 2318 CA TYR A 165 -3.633 9.125 22.162 1.00 35.34 C ATOM 2319 C TYR A 165 -4.026 8.707 20.749 1.00 53.14 C ATOM 2320 O TYR A 165 -5.118 9.024 20.277 1.00 2.23 O ATOM 2321 CB TYR A 165 -4.585 8.488 23.177 1.00 3.01 C ATOM 2322 CG TYR A 165 -6.030 8.889 22.987 1.00 40.42 C ATOM 2323 CD1 TYR A 165 -6.932 8.037 22.362 1.00 64.34 C ATOM 2324 CD2 TYR A 165 -6.494 10.121 23.431 1.00 2.40 C ATOM 2325 CE1 TYR A 165 -8.253 8.399 22.185 1.00 41.31 C ATOM 2326 CE2 TYR A 165 -7.814 10.492 23.260 1.00 64.31 C ATOM 2327 CZ TYR A 165 -8.689 9.627 22.636 1.00 11.52 C ATOM 2328 OH TYR A 165 -10.004 9.993 22.463 1.00 53.35 O ATOM 0 H TYR A 165 -4.541 11.012 22.080 1.00 44.31 H new ATOM 0 HA TYR A 165 -2.618 8.777 22.355 1.00 35.34 H new ATOM 0 HB2 TYR A 165 -4.505 7.403 23.106 1.00 3.01 H new ATOM 0 HB3 TYR A 165 -4.269 8.765 24.183 1.00 3.01 H new ATOM 0 HD1 TYR A 165 -6.594 7.074 22.008 1.00 64.34 H new ATOM 0 HD2 TYR A 165 -5.811 10.801 23.918 1.00 2.40 H new ATOM 0 HE1 TYR A 165 -8.940 7.724 21.696 1.00 41.31 H new ATOM 0 HE2 TYR A 165 -8.159 11.453 23.613 1.00 64.31 H new ATOM 0 HH TYR A 165 -10.147 10.887 22.838 1.00 53.35 H new ATOM 2338 N GLU A 166 -3.127 7.993 20.078 1.00 35.12 N ATOM 2339 CA GLU A 166 -3.380 7.532 18.718 1.00 23.41 C ATOM 2340 C GLU A 166 -2.329 6.513 18.285 1.00 30.15 C ATOM 2341 O GLU A 166 -1.455 6.139 19.066 1.00 24.13 O ATOM 2342 CB GLU A 166 -3.389 8.715 17.748 1.00 64.21 C ATOM 2343 CG GLU A 166 -4.548 8.688 16.766 1.00 65.23 C ATOM 2344 CD GLU A 166 -5.870 9.046 17.414 1.00 14.43 C ATOM 2345 OE1 GLU A 166 -6.734 8.152 17.532 1.00 54.11 O ATOM 2346 OE2 GLU A 166 -6.042 10.220 17.804 1.00 50.21 O ATOM 0 H GLU A 166 -2.218 7.722 20.454 1.00 35.12 H new ATOM 0 HA GLU A 166 -4.358 7.050 18.701 1.00 23.41 H new ATOM 0 HB2 GLU A 166 -3.430 9.642 18.319 1.00 64.21 H new ATOM 0 HB3 GLU A 166 -2.452 8.725 17.191 1.00 64.21 H new ATOM 0 HG2 GLU A 166 -4.346 9.385 15.952 1.00 65.23 H new ATOM 0 HG3 GLU A 166 -4.622 7.694 16.324 1.00 65.23 H new ATOM 2353 N GLU A 167 -2.423 6.069 17.036 1.00 32.51 N ATOM 2354 CA GLU A 167 -1.482 5.092 16.500 1.00 1.24 C ATOM 2355 C GLU A 167 -0.245 5.783 15.934 1.00 41.23 C ATOM 2356 O GLU A 167 -0.294 6.385 14.861 1.00 63.23 O ATOM 2357 CB GLU A 167 -2.151 4.249 15.413 1.00 33.43 C ATOM 2358 CG GLU A 167 -3.526 3.733 15.803 1.00 32.25 C ATOM 2359 CD GLU A 167 -3.805 2.345 15.259 1.00 40.42 C ATOM 2360 OE1 GLU A 167 -3.185 1.973 14.241 1.00 70.14 O ATOM 2361 OE2 GLU A 167 -4.642 1.633 15.850 1.00 75.50 O ATOM 0 H GLU A 167 -3.141 6.370 16.376 1.00 32.51 H new ATOM 0 HA GLU A 167 -1.172 4.439 17.316 1.00 1.24 H new ATOM 0 HB2 GLU A 167 -2.240 4.846 14.505 1.00 33.43 H new ATOM 0 HB3 GLU A 167 -1.508 3.401 15.175 1.00 33.43 H new ATOM 0 HG2 GLU A 167 -3.609 3.717 16.890 1.00 32.25 H new ATOM 0 HG3 GLU A 167 -4.286 4.423 15.436 1.00 32.25 H new ATOM 2368 N ASP A 168 0.862 5.693 16.663 1.00 71.33 N ATOM 2369 CA ASP A 168 2.112 6.308 16.234 1.00 44.24 C ATOM 2370 C ASP A 168 2.233 6.291 14.713 1.00 21.50 C ATOM 2371 O ASP A 168 1.826 5.331 14.059 1.00 51.51 O ATOM 2372 CB ASP A 168 3.304 5.583 16.861 1.00 61.13 C ATOM 2373 CG ASP A 168 3.733 4.372 16.056 1.00 24.22 C ATOM 2374 OD1 ASP A 168 4.941 4.254 15.760 1.00 71.35 O ATOM 2375 OD2 ASP A 168 2.862 3.542 15.724 1.00 60.52 O ATOM 0 H ASP A 168 0.919 5.200 17.554 1.00 71.33 H new ATOM 0 HA ASP A 168 2.111 7.345 16.569 1.00 44.24 H new ATOM 0 HB2 ASP A 168 4.142 6.274 16.947 1.00 61.13 H new ATOM 0 HB3 ASP A 168 3.044 5.270 17.872 1.00 61.13 H new ATOM 2380 N GLY A 169 2.795 7.359 14.156 1.00 1.44 N ATOM 2381 CA GLY A 169 2.958 7.447 12.717 1.00 21.00 C ATOM 2382 C GLY A 169 2.799 8.863 12.201 1.00 45.33 C ATOM 2383 O GLY A 169 1.865 9.159 11.456 1.00 40.41 O ATOM 0 H GLY A 169 3.141 8.165 14.676 1.00 1.44 H new ATOM 0 HA2 GLY A 169 3.944 7.072 12.443 1.00 21.00 H new ATOM 0 HA3 GLY A 169 2.225 6.802 12.231 1.00 21.00 H new