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 163 HIS : no HD1:sc= -3.31! C(o=-4.1!,f=-2.4!) USER MOD Set 1.2: A 164 SER OG : rot 180:sc= -0.767 USER MOD Set 2.1: A 85 HIS : no HE2:sc= 0.266 K(o=0.099,f=-6.7!) USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= -0.167 USER MOD Set 3.1: A 75 HIS : no HD1:sc= -1.21 K(o=-1.8,f=-3.6) USER MOD Set 3.2: A 112 CYS SG : rot 89:sc= -1.44 USER MOD Set 3.3: A 123 CYS SG : rot -2:sc= 0.815 USER MOD Set 4.1: A 24 ASN : amide:sc= -3.34 K(o=-8.4,f=-5.5!) USER MOD Set 4.2: A 54 ASN : amide:sc= -5.06! K(o=-8.4!,f=-5.5) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -3.49! C(o=-4.1!,f=-12!) USER MOD Set 5.2: A 26 SER OG : rot -0:sc= 1.18 USER MOD Set 5.3: A 29 CYS SG : rot -2:sc= -1.84 USER MOD Single : A 18 CYS SG : rot 111:sc= -1.08! USER MOD Single : A 21 ASN : amide:sc= -7.31! C(o=-7.3!,f=-2!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -14:sc= 0.124 USER MOD Single : A 28 ASN : amide:sc= -2.03 K(o=-2,f=-0.8) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.0811 (180deg=-0.798) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.00145 (180deg=0.00101) USER MOD Single : A 42 SER OG : rot 55:sc= 0.0458 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -4.16! X(o=-4.2!,f=-4) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0172 USER MOD Single : A 53 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.026) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.142 USER MOD Single : A 66 ASN : amide:sc= -2.98! K(o=-3!,f=-0.5) USER MOD Single : A 69 HIS : no HE2:sc= -5.26! C(o=-5.3!,f=-8.8!) USER MOD Single : A 71 CYS SG : rot 57:sc= -1.77 USER MOD Single : A 72 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-0.94) USER MOD Single : A 73 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-1) USER MOD Single : A 74 CYS SG : rot 34:sc= 0.374 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.41) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 68:sc= 0.187 USER MOD Single : A 88 CYS SG : rot 84:sc= -0.469 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 100 HIS : no HE2:sc= -12.5! C(o=-12!,f=-21!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 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 125 CYS SG : rot -0:sc= -0.213 USER MOD Single : A 127 CYS SG : rot 74:sc= -0.458 USER MOD Single : A 128 SER OG : rot 180:sc= -0.0981 USER MOD Single : A 129 LYS NZ :NH3+ 161:sc= 0.655 (180deg=0.0519) USER MOD Single : A 133 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.02) USER MOD Single : A 151 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.172) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot -125:sc= 0.616 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 0.706 -5.621 6.162 1.00 55.35 N ATOM 217 CA HIS A 17 1.211 -6.383 7.298 1.00 41.22 C ATOM 218 C HIS A 17 0.265 -6.274 8.489 1.00 13.35 C ATOM 219 O HIS A 17 -0.856 -5.779 8.361 1.00 21.02 O ATOM 220 CB HIS A 17 2.604 -5.889 7.691 1.00 72.32 C ATOM 221 CG HIS A 17 3.498 -6.972 8.211 1.00 22.12 C ATOM 222 ND1 HIS A 17 3.620 -7.268 9.552 1.00 2.25 N ATOM 223 CD2 HIS A 17 4.316 -7.833 7.562 1.00 72.43 C ATOM 224 CE1 HIS A 17 4.475 -8.263 9.706 1.00 44.13 C ATOM 225 NE2 HIS A 17 4.912 -8.625 8.513 1.00 54.23 N ATOM 0 HA HIS A 17 1.275 -7.430 7.002 1.00 41.22 H new ATOM 0 HB2 HIS A 17 3.074 -5.426 6.824 1.00 72.32 H new ATOM 0 HB3 HIS A 17 2.505 -5.114 8.451 1.00 72.32 H new ATOM 0 HD2 HIS A 17 4.471 -7.887 6.495 1.00 72.43 H new ATOM 0 HE1 HIS A 17 4.767 -8.705 10.647 1.00 44.13 H new ATOM 0 HE2 HIS A 17 5.583 -9.371 8.328 1.00 54.23 H new ATOM 233 N CYS A 18 0.722 -6.739 9.646 1.00 2.15 N ATOM 234 CA CYS A 18 -0.084 -6.695 10.861 1.00 54.00 C ATOM 235 C CYS A 18 0.299 -5.498 11.726 1.00 62.55 C ATOM 236 O CYS A 18 1.141 -4.687 11.341 1.00 4.23 O ATOM 237 CB CYS A 18 0.084 -7.990 11.657 1.00 1.22 C ATOM 238 SG CYS A 18 -1.364 -8.447 12.638 1.00 74.32 S ATOM 0 H CYS A 18 1.647 -7.151 9.769 1.00 2.15 H new ATOM 0 HA CYS A 18 -1.129 -6.589 10.570 1.00 54.00 H new ATOM 0 HB2 CYS A 18 0.312 -8.802 10.966 1.00 1.22 H new ATOM 0 HB3 CYS A 18 0.942 -7.887 12.322 1.00 1.22 H new ATOM 0 HG CYS A 18 -1.914 -9.510 12.130 1.00 74.32 H new ATOM 244 N ASP A 19 -0.325 -5.395 12.893 1.00 13.24 N ATOM 245 CA ASP A 19 -0.050 -4.297 13.813 1.00 40.11 C ATOM 246 C ASP A 19 1.337 -4.441 14.431 1.00 2.32 C ATOM 247 O ASP A 19 2.342 -4.085 13.816 1.00 73.13 O ATOM 248 CB ASP A 19 -1.110 -4.248 14.914 1.00 12.41 C ATOM 249 CG ASP A 19 -2.454 -3.765 14.403 1.00 24.22 C ATOM 250 OD1 ASP A 19 -3.489 -4.248 14.908 1.00 70.31 O ATOM 251 OD2 ASP A 19 -2.470 -2.904 13.499 1.00 23.03 O ATOM 0 H ASP A 19 -1.025 -6.058 13.225 1.00 13.24 H new ATOM 0 HA ASP A 19 -0.082 -3.365 13.248 1.00 40.11 H new ATOM 0 HB2 ASP A 19 -1.225 -5.241 15.348 1.00 12.41 H new ATOM 0 HB3 ASP A 19 -0.770 -3.589 15.713 1.00 12.41 H new ATOM 256 N ALA A 20 1.384 -4.963 15.652 1.00 31.22 N ATOM 257 CA ALA A 20 2.647 -5.155 16.353 1.00 3.23 C ATOM 258 C ALA A 20 3.709 -5.733 15.424 1.00 72.12 C ATOM 259 O ALA A 20 4.877 -5.351 15.486 1.00 34.34 O ATOM 260 CB ALA A 20 2.449 -6.060 17.560 1.00 64.52 C ATOM 0 H ALA A 20 0.561 -5.261 16.176 1.00 31.22 H new ATOM 0 HA ALA A 20 2.995 -4.181 16.697 1.00 3.23 H new ATOM 0 HB1 ALA A 20 3.401 -6.195 18.074 1.00 64.52 H new ATOM 0 HB2 ALA A 20 1.730 -5.606 18.241 1.00 64.52 H new ATOM 0 HB3 ALA A 20 2.074 -7.029 17.231 1.00 64.52 H new ATOM 266 N ASN A 21 3.295 -6.657 14.562 1.00 12.34 N ATOM 267 CA ASN A 21 4.211 -7.289 13.620 1.00 3.23 C ATOM 268 C ASN A 21 4.614 -6.315 12.517 1.00 71.43 C ATOM 269 O ASN A 21 5.777 -6.255 12.122 1.00 64.02 O ATOM 270 CB ASN A 21 3.567 -8.534 13.008 1.00 41.05 C ATOM 271 CG ASN A 21 2.654 -9.252 13.982 1.00 15.53 C ATOM 272 OD1 ASN A 21 2.929 -10.378 14.394 1.00 25.35 O ATOM 273 ND2 ASN A 21 1.558 -8.600 14.356 1.00 62.04 N ATOM 0 H ASN A 21 2.331 -6.984 14.497 1.00 12.34 H new ATOM 0 HA ASN A 21 5.108 -7.584 14.165 1.00 3.23 H new ATOM 0 HB2 ASN A 21 2.997 -8.247 12.124 1.00 41.05 H new ATOM 0 HB3 ASN A 21 4.348 -9.218 12.676 1.00 41.05 H new ATOM 0 HD21 ASN A 21 0.906 -9.032 15.010 1.00 62.04 H new ATOM 0 HD22 ASN A 21 1.369 -7.667 13.989 1.00 62.04 H new ATOM 280 N GLY A 22 3.642 -5.554 12.023 1.00 1.20 N ATOM 281 CA GLY A 22 3.915 -4.593 10.970 1.00 11.02 C ATOM 282 C GLY A 22 5.147 -3.757 11.254 1.00 52.44 C ATOM 283 O GLY A 22 5.959 -3.515 10.361 1.00 13.32 O ATOM 0 H GLY A 22 2.671 -5.586 12.333 1.00 1.20 H new ATOM 0 HA2 GLY A 22 4.048 -5.121 10.026 1.00 11.02 H new ATOM 0 HA3 GLY A 22 3.054 -3.936 10.850 1.00 11.02 H new ATOM 287 N GLU A 23 5.285 -3.313 12.499 1.00 3.40 N ATOM 288 CA GLU A 23 6.426 -2.496 12.896 1.00 64.03 C ATOM 289 C GLU A 23 7.591 -3.372 13.349 1.00 12.13 C ATOM 290 O GLU A 23 8.745 -2.946 13.333 1.00 53.21 O ATOM 291 CB GLU A 23 6.029 -1.536 14.019 1.00 52.44 C ATOM 292 CG GLU A 23 5.198 -2.187 15.111 1.00 25.45 C ATOM 293 CD GLU A 23 3.713 -1.933 14.946 1.00 52.03 C ATOM 294 OE1 GLU A 23 3.289 -1.614 13.815 1.00 72.20 O ATOM 295 OE2 GLU A 23 2.975 -2.052 15.946 1.00 74.24 O ATOM 0 H GLU A 23 4.622 -3.505 13.250 1.00 3.40 H new ATOM 0 HA GLU A 23 6.744 -1.917 12.029 1.00 64.03 H new ATOM 0 HB2 GLU A 23 6.932 -1.116 14.463 1.00 52.44 H new ATOM 0 HB3 GLU A 23 5.467 -0.705 13.593 1.00 52.44 H new ATOM 0 HG2 GLU A 23 5.381 -3.262 15.109 1.00 25.45 H new ATOM 0 HG3 GLU A 23 5.521 -1.810 16.081 1.00 25.45 H new ATOM 302 N ASN A 24 7.278 -4.599 13.754 1.00 1.54 N ATOM 303 CA ASN A 24 8.297 -5.535 14.214 1.00 45.21 C ATOM 304 C ASN A 24 9.242 -5.912 13.076 1.00 33.25 C ATOM 305 O ASN A 24 10.432 -6.141 13.294 1.00 20.55 O ATOM 306 CB ASN A 24 7.643 -6.793 14.787 1.00 74.32 C ATOM 307 CG ASN A 24 7.817 -7.999 13.883 1.00 5.42 C ATOM 308 OD1 ASN A 24 7.406 -7.984 12.723 1.00 12.51 O ATOM 309 ND2 ASN A 24 8.431 -9.051 14.413 1.00 54.22 N ATOM 0 H ASN A 24 6.327 -4.968 13.773 1.00 1.54 H new ATOM 0 HA ASN A 24 8.876 -5.047 14.998 1.00 45.21 H new ATOM 0 HB2 ASN A 24 8.074 -7.010 15.764 1.00 74.32 H new ATOM 0 HB3 ASN A 24 6.580 -6.608 14.941 1.00 74.32 H new ATOM 0 HD21 ASN A 24 8.578 -9.891 13.853 1.00 54.22 H new ATOM 0 HD22 ASN A 24 8.755 -9.019 15.380 1.00 54.22 H new ATOM 316 N CYS A 25 8.703 -5.974 11.864 1.00 61.11 N ATOM 317 CA CYS A 25 9.497 -6.324 10.691 1.00 3.24 C ATOM 318 C CYS A 25 9.830 -5.082 9.870 1.00 74.41 C ATOM 319 O CYS A 25 10.989 -4.838 9.537 1.00 23.03 O ATOM 320 CB CYS A 25 8.748 -7.337 9.826 1.00 74.43 C ATOM 321 SG CYS A 25 9.655 -8.874 9.536 1.00 71.43 S ATOM 0 H CYS A 25 7.720 -5.787 11.667 1.00 61.11 H new ATOM 0 HA CYS A 25 10.430 -6.771 11.034 1.00 3.24 H new ATOM 0 HB2 CYS A 25 7.797 -7.573 10.303 1.00 74.43 H new ATOM 0 HB3 CYS A 25 8.517 -6.877 8.865 1.00 74.43 H new ATOM 0 HG CYS A 25 8.939 -9.668 8.796 1.00 71.43 H new ATOM 327 N SER A 26 8.804 -4.302 9.544 1.00 33.44 N ATOM 328 CA SER A 26 8.986 -3.089 8.757 1.00 51.13 C ATOM 329 C SER A 26 8.013 -2.001 9.201 1.00 33.34 C ATOM 330 O SER A 26 6.805 -2.108 8.985 1.00 11.31 O ATOM 331 CB SER A 26 8.790 -3.387 7.269 1.00 62.00 C ATOM 332 OG SER A 26 7.416 -3.526 6.953 1.00 13.02 O ATOM 0 H SER A 26 7.838 -4.489 9.813 1.00 33.44 H new ATOM 0 HA SER A 26 10.003 -2.731 8.918 1.00 51.13 H new ATOM 0 HB2 SER A 26 9.224 -2.583 6.674 1.00 62.00 H new ATOM 0 HB3 SER A 26 9.321 -4.301 7.005 1.00 62.00 H new ATOM 0 HG SER A 26 6.880 -3.408 7.765 1.00 13.02 H new ATOM 338 N CYS A 27 8.547 -0.957 9.824 1.00 42.44 N ATOM 339 CA CYS A 27 7.727 0.151 10.300 1.00 11.33 C ATOM 340 C CYS A 27 7.073 0.885 9.134 1.00 45.32 C ATOM 341 O CYS A 27 7.428 2.022 8.826 1.00 0.44 O ATOM 342 CB CYS A 27 8.575 1.125 11.121 1.00 74.25 C ATOM 343 SG CYS A 27 9.522 0.342 12.447 1.00 60.13 S ATOM 0 H CYS A 27 9.544 -0.854 10.011 1.00 42.44 H new ATOM 0 HA CYS A 27 6.941 -0.258 10.934 1.00 11.33 H new ATOM 0 HB2 CYS A 27 9.264 1.642 10.453 1.00 74.25 H new ATOM 0 HB3 CYS A 27 7.922 1.883 11.554 1.00 74.25 H new ATOM 0 HG CYS A 27 9.075 -0.862 12.647 1.00 60.13 H new ATOM 349 N ASN A 28 6.118 0.225 8.487 1.00 41.51 N ATOM 350 CA ASN A 28 5.416 0.814 7.352 1.00 4.52 C ATOM 351 C ASN A 28 4.240 -0.059 6.927 1.00 13.25 C ATOM 352 O ASN A 28 4.018 -0.283 5.737 1.00 71.01 O ATOM 353 CB ASN A 28 6.376 1.005 6.176 1.00 73.45 C ATOM 354 CG ASN A 28 5.719 1.705 5.001 1.00 30.54 C ATOM 355 OD1 ASN A 28 5.929 1.333 3.847 1.00 40.35 O ATOM 356 ND2 ASN A 28 4.919 2.724 5.293 1.00 72.45 N ATOM 0 H ASN A 28 5.812 -0.718 8.729 1.00 41.51 H new ATOM 0 HA ASN A 28 5.031 1.786 7.659 1.00 4.52 H new ATOM 0 HB2 ASN A 28 7.238 1.585 6.505 1.00 73.45 H new ATOM 0 HB3 ASN A 28 6.750 0.033 5.854 1.00 73.45 H new ATOM 0 HD21 ASN A 28 4.449 3.234 4.545 1.00 72.45 H new ATOM 0 HD22 ASN A 28 4.775 2.997 6.265 1.00 72.45 H new ATOM 363 N CYS A 29 3.489 -0.548 7.908 1.00 10.21 N ATOM 364 CA CYS A 29 2.334 -1.397 7.636 1.00 4.15 C ATOM 365 C CYS A 29 1.592 -1.734 8.926 1.00 64.24 C ATOM 366 O CYS A 29 2.204 -1.891 9.982 1.00 40.03 O ATOM 367 CB CYS A 29 2.775 -2.683 6.936 1.00 54.04 C ATOM 368 SG CYS A 29 4.417 -3.263 7.420 1.00 3.42 S ATOM 0 H CYS A 29 3.659 -0.371 8.898 1.00 10.21 H new ATOM 0 HA CYS A 29 1.656 -0.849 6.981 1.00 4.15 H new ATOM 0 HB2 CYS A 29 2.048 -3.467 7.148 1.00 54.04 H new ATOM 0 HB3 CYS A 29 2.762 -2.520 5.858 1.00 54.04 H new ATOM 0 HG CYS A 29 4.942 -2.425 8.264 1.00 3.42 H new ATOM 374 N GLU A 30 0.271 -1.843 8.831 1.00 52.44 N ATOM 375 CA GLU A 30 -0.554 -2.159 9.991 1.00 54.24 C ATOM 376 C GLU A 30 -1.941 -2.629 9.560 1.00 2.11 C ATOM 377 O GLU A 30 -2.831 -1.818 9.300 1.00 30.13 O ATOM 378 CB GLU A 30 -0.679 -0.937 10.904 1.00 63.41 C ATOM 379 CG GLU A 30 -1.094 0.329 10.174 1.00 72.31 C ATOM 380 CD GLU A 30 -2.349 0.951 10.754 1.00 55.23 C ATOM 381 OE1 GLU A 30 -3.355 0.226 10.904 1.00 12.25 O ATOM 382 OE2 GLU A 30 -2.326 2.162 11.056 1.00 14.44 O ATOM 0 H GLU A 30 -0.251 -1.717 7.964 1.00 52.44 H new ATOM 0 HA GLU A 30 -0.070 -2.966 10.540 1.00 54.24 H new ATOM 0 HB2 GLU A 30 -1.408 -1.151 11.685 1.00 63.41 H new ATOM 0 HB3 GLU A 30 0.277 -0.764 11.398 1.00 63.41 H new ATOM 0 HG2 GLU A 30 -0.280 1.053 10.218 1.00 72.31 H new ATOM 0 HG3 GLU A 30 -1.260 0.099 9.121 1.00 72.31 H new ATOM 389 N LEU A 31 -2.117 -3.944 9.486 1.00 5.51 N ATOM 390 CA LEU A 31 -3.394 -4.523 9.087 1.00 72.44 C ATOM 391 C LEU A 31 -3.643 -5.843 9.810 1.00 70.23 C ATOM 392 O LEU A 31 -2.908 -6.813 9.624 1.00 24.03 O ATOM 393 CB LEU A 31 -3.426 -4.744 7.573 1.00 24.13 C ATOM 394 CG LEU A 31 -4.809 -4.737 6.922 1.00 12.45 C ATOM 395 CD1 LEU A 31 -5.633 -5.920 7.406 1.00 63.34 C ATOM 396 CD2 LEU A 31 -5.529 -3.428 7.215 1.00 34.55 C ATOM 0 H LEU A 31 -1.391 -4.629 9.697 1.00 5.51 H new ATOM 0 HA LEU A 31 -4.184 -3.824 9.363 1.00 72.44 H new ATOM 0 HB2 LEU A 31 -2.820 -3.971 7.100 1.00 24.13 H new ATOM 0 HB3 LEU A 31 -2.949 -5.700 7.356 1.00 24.13 H new ATOM 0 HG LEU A 31 -4.682 -4.826 5.843 1.00 12.45 H new ATOM 0 HD11 LEU A 31 -6.614 -5.898 6.932 1.00 63.34 H new ATOM 0 HD12 LEU A 31 -5.125 -6.848 7.146 1.00 63.34 H new ATOM 0 HD13 LEU A 31 -5.752 -5.862 8.488 1.00 63.34 H new ATOM 0 HD21 LEU A 31 -6.512 -3.440 6.744 1.00 34.55 H new ATOM 0 HD22 LEU A 31 -5.644 -3.309 8.292 1.00 34.55 H new ATOM 0 HD23 LEU A 31 -4.947 -2.596 6.819 1.00 34.55 H new ATOM 408 N PHE A 32 -4.686 -5.873 10.633 1.00 62.40 N ATOM 409 CA PHE A 32 -5.033 -7.075 11.383 1.00 1.32 C ATOM 410 C PHE A 32 -5.164 -8.278 10.454 1.00 54.44 C ATOM 411 O PHE A 32 -6.226 -8.519 9.880 1.00 55.14 O ATOM 412 CB PHE A 32 -6.340 -6.863 12.150 1.00 51.03 C ATOM 413 CG PHE A 32 -7.334 -6.010 11.415 1.00 12.43 C ATOM 414 CD1 PHE A 32 -8.221 -6.576 10.513 1.00 5.23 C ATOM 415 CD2 PHE A 32 -7.382 -4.641 11.627 1.00 60.05 C ATOM 416 CE1 PHE A 32 -9.137 -5.793 9.836 1.00 61.40 C ATOM 417 CE2 PHE A 32 -8.296 -3.854 10.953 1.00 53.35 C ATOM 418 CZ PHE A 32 -9.174 -4.430 10.055 1.00 20.33 C ATOM 0 H PHE A 32 -5.305 -5.079 10.798 1.00 62.40 H new ATOM 0 HA PHE A 32 -4.231 -7.274 12.094 1.00 1.32 H new ATOM 0 HB2 PHE A 32 -6.790 -7.833 12.360 1.00 51.03 H new ATOM 0 HB3 PHE A 32 -6.117 -6.401 13.112 1.00 51.03 H new ATOM 0 HD1 PHE A 32 -8.196 -7.641 10.337 1.00 5.23 H new ATOM 0 HD2 PHE A 32 -6.697 -4.185 12.327 1.00 60.05 H new ATOM 0 HE1 PHE A 32 -9.823 -6.247 9.136 1.00 61.40 H new ATOM 0 HE2 PHE A 32 -8.324 -2.789 11.128 1.00 53.35 H new ATOM 0 HZ PHE A 32 -9.887 -3.816 9.526 1.00 20.33 H new ATOM 428 N ASP A 33 -4.078 -9.028 10.310 1.00 62.00 N ATOM 429 CA ASP A 33 -4.070 -10.206 9.451 1.00 74.32 C ATOM 430 C ASP A 33 -3.252 -11.331 10.078 1.00 54.02 C ATOM 431 O ASP A 33 -2.725 -11.189 11.182 1.00 55.13 O ATOM 432 CB ASP A 33 -3.506 -9.856 8.073 1.00 14.30 C ATOM 433 CG ASP A 33 -2.000 -9.689 8.090 1.00 64.45 C ATOM 434 OD1 ASP A 33 -1.329 -10.265 7.207 1.00 51.45 O ATOM 435 OD2 ASP A 33 -1.491 -8.983 8.985 1.00 62.22 O ATOM 0 H ASP A 33 -3.191 -8.841 10.777 1.00 62.00 H new ATOM 0 HA ASP A 33 -5.099 -10.548 9.338 1.00 74.32 H new ATOM 0 HB2 ASP A 33 -3.774 -10.640 7.364 1.00 14.30 H new ATOM 0 HB3 ASP A 33 -3.967 -8.934 7.718 1.00 14.30 H new ATOM 440 N CYS A 34 -3.151 -12.449 9.367 1.00 31.21 N ATOM 441 CA CYS A 34 -2.399 -13.600 9.853 1.00 11.55 C ATOM 442 C CYS A 34 -2.174 -14.614 8.736 1.00 21.11 C ATOM 443 O CYS A 34 -3.126 -15.137 8.158 1.00 13.42 O ATOM 444 CB CYS A 34 -3.137 -14.262 11.018 1.00 32.41 C ATOM 445 SG CYS A 34 -2.402 -15.837 11.564 1.00 32.24 S ATOM 0 H CYS A 34 -3.581 -12.582 8.452 1.00 31.21 H new ATOM 0 HA CYS A 34 -1.428 -13.248 10.200 1.00 11.55 H new ATOM 0 HB2 CYS A 34 -3.157 -13.571 11.861 1.00 32.41 H new ATOM 0 HB3 CYS A 34 -4.172 -14.438 10.725 1.00 32.41 H new ATOM 450 N GLU A 35 -0.907 -14.887 8.439 1.00 74.24 N ATOM 451 CA GLU A 35 -0.558 -15.839 7.390 1.00 3.33 C ATOM 452 C GLU A 35 0.954 -16.032 7.314 1.00 60.35 C ATOM 453 O GLU A 35 1.723 -15.139 7.667 1.00 25.41 O ATOM 454 CB GLU A 35 -1.091 -15.361 6.038 1.00 10.52 C ATOM 455 CG GLU A 35 -2.224 -16.214 5.495 1.00 75.13 C ATOM 456 CD GLU A 35 -1.812 -17.030 4.285 1.00 50.12 C ATOM 457 OE1 GLU A 35 -1.236 -16.445 3.344 1.00 41.52 O ATOM 458 OE2 GLU A 35 -2.065 -18.253 4.279 1.00 52.54 O ATOM 0 H GLU A 35 -0.107 -14.464 8.909 1.00 74.24 H new ATOM 0 HA GLU A 35 -1.018 -16.796 7.635 1.00 3.33 H new ATOM 0 HB2 GLU A 35 -1.437 -14.332 6.137 1.00 10.52 H new ATOM 0 HB3 GLU A 35 -0.274 -15.355 5.316 1.00 10.52 H new ATOM 0 HG2 GLU A 35 -2.576 -16.885 6.278 1.00 75.13 H new ATOM 0 HG3 GLU A 35 -3.062 -15.570 5.226 1.00 75.13 H new ATOM 465 N ALA A 36 1.372 -17.206 6.849 1.00 15.54 N ATOM 466 CA ALA A 36 2.790 -17.517 6.725 1.00 40.34 C ATOM 467 C ALA A 36 3.314 -17.146 5.341 1.00 12.53 C ATOM 468 O ALA A 36 2.576 -17.183 4.356 1.00 4.20 O ATOM 469 CB ALA A 36 3.033 -18.992 7.005 1.00 63.33 C ATOM 0 H ALA A 36 0.748 -17.956 6.552 1.00 15.54 H new ATOM 0 HA ALA A 36 3.333 -16.924 7.462 1.00 40.34 H new ATOM 0 HB1 ALA A 36 4.097 -19.210 6.909 1.00 63.33 H new ATOM 0 HB2 ALA A 36 2.704 -19.229 8.017 1.00 63.33 H new ATOM 0 HB3 ALA A 36 2.473 -19.595 6.290 1.00 63.33 H new ATOM 475 N LYS A 37 4.591 -16.787 5.274 1.00 3.33 N ATOM 476 CA LYS A 37 5.215 -16.409 4.012 1.00 42.23 C ATOM 477 C LYS A 37 6.735 -16.393 4.139 1.00 1.22 C ATOM 478 O LYS A 37 7.276 -16.379 5.245 1.00 32.42 O ATOM 479 CB LYS A 37 4.716 -15.033 3.564 1.00 32.20 C ATOM 480 CG LYS A 37 4.554 -14.905 2.059 1.00 5.12 C ATOM 481 CD LYS A 37 3.103 -15.066 1.638 1.00 24.31 C ATOM 482 CE LYS A 37 2.933 -16.212 0.653 1.00 62.25 C ATOM 483 NZ LYS A 37 3.841 -16.075 -0.520 1.00 25.24 N ATOM 0 H LYS A 37 5.215 -16.750 6.080 1.00 3.33 H new ATOM 0 HA LYS A 37 4.938 -17.151 3.263 1.00 42.23 H new ATOM 0 HB2 LYS A 37 3.758 -14.830 4.043 1.00 32.20 H new ATOM 0 HB3 LYS A 37 5.414 -14.272 3.912 1.00 32.20 H new ATOM 0 HG2 LYS A 37 4.922 -13.932 1.734 1.00 5.12 H new ATOM 0 HG3 LYS A 37 5.164 -15.659 1.561 1.00 5.12 H new ATOM 0 HD2 LYS A 37 2.486 -15.246 2.518 1.00 24.31 H new ATOM 0 HD3 LYS A 37 2.749 -14.140 1.185 1.00 24.31 H new ATOM 0 HE2 LYS A 37 3.132 -17.157 1.158 1.00 62.25 H new ATOM 0 HE3 LYS A 37 1.899 -16.246 0.310 1.00 62.25 H new ATOM 0 HZ1 LYS A 37 3.370 -16.448 -1.369 1.00 25.24 H new ATOM 0 HZ2 LYS A 37 4.072 -15.071 -0.665 1.00 25.24 H new ATOM 0 HZ3 LYS A 37 4.716 -16.610 -0.346 1.00 25.24 H new ATOM 497 N LYS A 38 7.420 -16.393 3.000 1.00 12.25 N ATOM 498 CA LYS A 38 8.878 -16.375 2.984 1.00 74.43 C ATOM 499 C LYS A 38 9.400 -15.871 1.642 1.00 24.52 C ATOM 500 O LYS A 38 9.310 -16.550 0.619 1.00 21.20 O ATOM 501 CB LYS A 38 9.428 -17.775 3.264 1.00 22.52 C ATOM 502 CG LYS A 38 10.911 -17.917 2.967 1.00 0.22 C ATOM 503 CD LYS A 38 11.498 -19.150 3.633 1.00 70.22 C ATOM 504 CE LYS A 38 11.899 -20.200 2.607 1.00 14.43 C ATOM 505 NZ LYS A 38 12.020 -21.553 3.217 1.00 51.12 N ATOM 0 H LYS A 38 6.988 -16.405 2.076 1.00 12.25 H new ATOM 0 HA LYS A 38 9.218 -15.695 3.765 1.00 74.43 H new ATOM 0 HB2 LYS A 38 9.250 -18.023 4.310 1.00 22.52 H new ATOM 0 HB3 LYS A 38 8.875 -18.500 2.666 1.00 22.52 H new ATOM 0 HG2 LYS A 38 11.063 -17.977 1.889 1.00 0.22 H new ATOM 0 HG3 LYS A 38 11.439 -17.029 3.314 1.00 0.22 H new ATOM 0 HD2 LYS A 38 12.369 -18.866 4.224 1.00 70.22 H new ATOM 0 HD3 LYS A 38 10.769 -19.574 4.323 1.00 70.22 H new ATOM 0 HE2 LYS A 38 11.159 -20.227 1.807 1.00 14.43 H new ATOM 0 HE3 LYS A 38 12.850 -19.920 2.153 1.00 14.43 H new ATOM 0 HZ1 LYS A 38 12.360 -22.227 2.502 1.00 51.12 H new ATOM 0 HZ2 LYS A 38 12.694 -21.518 4.008 1.00 51.12 H new ATOM 0 HZ3 LYS A 38 11.090 -21.860 3.568 1.00 51.12 H new ATOM 519 N PRO A 39 9.962 -14.653 1.645 1.00 72.33 N ATOM 520 CA PRO A 39 10.512 -14.033 0.436 1.00 51.21 C ATOM 521 C PRO A 39 11.783 -14.725 -0.044 1.00 30.10 C ATOM 522 O PRO A 39 11.883 -15.126 -1.204 1.00 11.22 O ATOM 523 CB PRO A 39 10.818 -12.601 0.880 1.00 4.55 C ATOM 524 CG PRO A 39 11.022 -12.696 2.353 1.00 33.32 C ATOM 525 CD PRO A 39 10.103 -13.788 2.828 1.00 62.21 C ATOM 0 HA PRO A 39 9.821 -14.095 -0.404 1.00 51.21 H new ATOM 0 HB2 PRO A 39 11.706 -12.213 0.382 1.00 4.55 H new ATOM 0 HB3 PRO A 39 9.997 -11.927 0.637 1.00 4.55 H new ATOM 0 HG2 PRO A 39 12.060 -12.929 2.589 1.00 33.32 H new ATOM 0 HG3 PRO A 39 10.789 -11.750 2.841 1.00 33.32 H new ATOM 0 HD2 PRO A 39 10.526 -14.330 3.674 1.00 62.21 H new ATOM 0 HD3 PRO A 39 9.141 -13.391 3.153 1.00 62.21 H new ATOM 533 N ASP A 40 12.751 -14.863 0.855 1.00 44.11 N ATOM 534 CA ASP A 40 14.016 -15.509 0.523 1.00 2.43 C ATOM 535 C ASP A 40 14.954 -15.517 1.726 1.00 11.15 C ATOM 536 O ASP A 40 16.168 -15.379 1.581 1.00 32.12 O ATOM 537 CB ASP A 40 14.684 -14.796 -0.654 1.00 74.43 C ATOM 538 CG ASP A 40 15.228 -15.766 -1.685 1.00 34.44 C ATOM 539 OD1 ASP A 40 15.424 -15.351 -2.846 1.00 54.21 O ATOM 540 OD2 ASP A 40 15.458 -16.941 -1.329 1.00 62.04 O ATOM 0 H ASP A 40 12.684 -14.536 1.819 1.00 44.11 H new ATOM 0 HA ASP A 40 13.806 -16.541 0.241 1.00 2.43 H new ATOM 0 HB2 ASP A 40 13.962 -14.132 -1.130 1.00 74.43 H new ATOM 0 HB3 ASP A 40 15.496 -14.171 -0.283 1.00 74.43 H new ATOM 545 N GLY A 41 14.381 -15.679 2.916 1.00 45.43 N ATOM 546 CA GLY A 41 15.181 -15.700 4.127 1.00 73.52 C ATOM 547 C GLY A 41 14.656 -16.688 5.150 1.00 71.21 C ATOM 548 O GLY A 41 15.414 -17.492 5.692 1.00 30.40 O ATOM 0 H GLY A 41 13.378 -15.796 3.062 1.00 45.43 H new ATOM 0 HA2 GLY A 41 16.210 -15.955 3.875 1.00 73.52 H new ATOM 0 HA3 GLY A 41 15.198 -14.702 4.565 1.00 73.52 H new ATOM 552 N SER A 42 13.355 -16.627 5.416 1.00 21.22 N ATOM 553 CA SER A 42 12.731 -17.520 6.386 1.00 54.24 C ATOM 554 C SER A 42 11.210 -17.415 6.319 1.00 31.14 C ATOM 555 O SER A 42 10.664 -16.635 5.539 1.00 15.35 O ATOM 556 CB SER A 42 13.215 -17.191 7.799 1.00 13.01 C ATOM 557 OG SER A 42 14.038 -18.225 8.310 1.00 73.42 O ATOM 0 H SER A 42 12.713 -15.969 4.974 1.00 21.22 H new ATOM 0 HA SER A 42 13.019 -18.542 6.141 1.00 54.24 H new ATOM 0 HB2 SER A 42 13.770 -16.253 7.787 1.00 13.01 H new ATOM 0 HB3 SER A 42 12.357 -17.046 8.456 1.00 13.01 H new ATOM 0 HG SER A 42 14.778 -18.391 7.689 1.00 73.42 H new ATOM 563 N TYR A 43 10.533 -18.207 7.143 1.00 14.12 N ATOM 564 CA TYR A 43 9.075 -18.206 7.178 1.00 71.34 C ATOM 565 C TYR A 43 8.560 -17.492 8.423 1.00 13.32 C ATOM 566 O TYR A 43 8.976 -17.792 9.542 1.00 45.34 O ATOM 567 CB TYR A 43 8.542 -19.640 7.142 1.00 45.25 C ATOM 568 CG TYR A 43 8.136 -20.100 5.760 1.00 62.22 C ATOM 569 CD1 TYR A 43 8.761 -21.185 5.156 1.00 12.12 C ATOM 570 CD2 TYR A 43 7.129 -19.450 5.058 1.00 71.45 C ATOM 571 CE1 TYR A 43 8.394 -21.609 3.894 1.00 54.23 C ATOM 572 CE2 TYR A 43 6.754 -19.868 3.795 1.00 22.33 C ATOM 573 CZ TYR A 43 7.390 -20.948 3.218 1.00 55.44 C ATOM 574 OH TYR A 43 7.020 -21.366 1.960 1.00 61.12 O ATOM 0 H TYR A 43 10.970 -18.858 7.796 1.00 14.12 H new ATOM 0 HA TYR A 43 8.717 -17.670 6.299 1.00 71.34 H new ATOM 0 HB2 TYR A 43 9.307 -20.313 7.530 1.00 45.25 H new ATOM 0 HB3 TYR A 43 7.683 -19.716 7.808 1.00 45.25 H new ATOM 0 HD1 TYR A 43 9.547 -21.705 5.683 1.00 12.12 H new ATOM 0 HD2 TYR A 43 6.630 -18.604 5.507 1.00 71.45 H new ATOM 0 HE1 TYR A 43 8.890 -22.453 3.439 1.00 54.23 H new ATOM 0 HE2 TYR A 43 5.968 -19.352 3.263 1.00 22.33 H new ATOM 0 HH TYR A 43 6.298 -20.794 1.624 1.00 61.12 H new ATOM 584 N ALA A 44 7.650 -16.545 8.220 1.00 14.21 N ATOM 585 CA ALA A 44 7.074 -15.788 9.325 1.00 24.55 C ATOM 586 C ALA A 44 5.587 -16.087 9.479 1.00 12.43 C ATOM 587 O ALA A 44 5.074 -17.051 8.910 1.00 44.45 O ATOM 588 CB ALA A 44 7.297 -14.298 9.117 1.00 2.24 C ATOM 0 H ALA A 44 7.296 -16.284 7.300 1.00 14.21 H new ATOM 0 HA ALA A 44 7.576 -16.094 10.243 1.00 24.55 H new ATOM 0 HB1 ALA A 44 6.862 -13.745 9.950 1.00 2.24 H new ATOM 0 HB2 ALA A 44 8.366 -14.094 9.065 1.00 2.24 H new ATOM 0 HB3 ALA A 44 6.823 -13.986 8.187 1.00 2.24 H new ATOM 594 N HIS A 45 4.898 -15.254 10.253 1.00 10.22 N ATOM 595 CA HIS A 45 3.468 -15.429 10.482 1.00 41.10 C ATOM 596 C HIS A 45 2.932 -14.350 11.418 1.00 33.44 C ATOM 597 O HIS A 45 2.526 -14.621 12.549 1.00 75.44 O ATOM 598 CB HIS A 45 3.190 -16.814 11.067 1.00 15.43 C ATOM 599 CG HIS A 45 1.956 -17.460 10.516 1.00 41.02 C ATOM 600 ND1 HIS A 45 1.839 -18.821 10.328 1.00 25.00 N ATOM 601 CD2 HIS A 45 0.781 -16.924 10.112 1.00 14.12 C ATOM 602 CE1 HIS A 45 0.646 -19.094 9.831 1.00 22.02 C ATOM 603 NE2 HIS A 45 -0.016 -17.960 9.691 1.00 12.02 N ATOM 0 H HIS A 45 5.307 -14.452 10.732 1.00 10.22 H new ATOM 0 HA HIS A 45 2.957 -15.339 9.523 1.00 41.10 H new ATOM 0 HB2 HIS A 45 4.046 -17.460 10.873 1.00 15.43 H new ATOM 0 HB3 HIS A 45 3.094 -16.730 12.149 1.00 15.43 H new ATOM 0 HD1 HIS A 45 2.561 -19.510 10.540 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.519 -15.876 10.119 1.00 14.12 H new ATOM 0 HE1 HIS A 45 0.275 -20.077 9.582 1.00 22.02 H new ATOM 611 N PRO A 46 2.930 -13.097 10.940 1.00 60.54 N ATOM 612 CA PRO A 46 2.447 -11.953 11.718 1.00 74.20 C ATOM 613 C PRO A 46 0.935 -11.984 11.916 1.00 11.01 C ATOM 614 O PRO A 46 0.171 -11.747 10.980 1.00 72.21 O ATOM 615 CB PRO A 46 2.850 -10.748 10.865 1.00 74.03 C ATOM 616 CG PRO A 46 2.931 -11.278 9.475 1.00 60.22 C ATOM 617 CD PRO A 46 3.400 -12.701 9.601 1.00 35.43 C ATOM 0 HA PRO A 46 2.865 -11.939 12.724 1.00 74.20 H new ATOM 0 HB2 PRO A 46 2.116 -9.946 10.941 1.00 74.03 H new ATOM 0 HB3 PRO A 46 3.806 -10.336 11.188 1.00 74.03 H new ATOM 0 HG2 PRO A 46 1.960 -11.229 8.982 1.00 60.22 H new ATOM 0 HG3 PRO A 46 3.624 -10.690 8.873 1.00 60.22 H new ATOM 0 HD2 PRO A 46 2.975 -13.335 8.822 1.00 35.43 H new ATOM 0 HD3 PRO A 46 4.484 -12.776 9.517 1.00 35.43 H new ATOM 625 N CYS A 47 0.509 -12.277 13.140 1.00 1.23 N ATOM 626 CA CYS A 47 -0.911 -12.339 13.462 1.00 55.41 C ATOM 627 C CYS A 47 -1.218 -11.543 14.728 1.00 42.04 C ATOM 628 O CYS A 47 -0.464 -11.589 15.700 1.00 70.41 O ATOM 629 CB CYS A 47 -1.352 -13.793 13.641 1.00 14.42 C ATOM 630 SG CYS A 47 -0.690 -14.931 12.382 1.00 12.14 S ATOM 0 H CYS A 47 1.128 -12.475 13.926 1.00 1.23 H new ATOM 0 HA CYS A 47 -1.465 -11.898 12.634 1.00 55.41 H new ATOM 0 HB2 CYS A 47 -1.040 -14.137 14.627 1.00 14.42 H new ATOM 0 HB3 CYS A 47 -2.441 -13.837 13.618 1.00 14.42 H new ATOM 635 N ARG A 48 -2.329 -10.814 14.707 1.00 22.02 N ATOM 636 CA ARG A 48 -2.735 -10.008 15.852 1.00 44.40 C ATOM 637 C ARG A 48 -2.575 -10.790 17.152 1.00 21.12 C ATOM 638 O ARG A 48 -1.477 -11.232 17.492 1.00 41.54 O ATOM 639 CB ARG A 48 -4.187 -9.553 15.693 1.00 5.53 C ATOM 640 CG ARG A 48 -4.492 -8.955 14.329 1.00 21.33 C ATOM 641 CD ARG A 48 -5.617 -9.704 13.632 1.00 21.44 C ATOM 642 NE ARG A 48 -5.431 -11.152 13.693 1.00 2.35 N ATOM 643 CZ ARG A 48 -6.274 -12.025 13.154 1.00 54.51 C ATOM 644 NH1 ARG A 48 -7.356 -11.599 12.516 1.00 10.21 N ATOM 645 NH2 ARG A 48 -6.036 -13.326 13.251 1.00 34.33 N ATOM 0 H ARG A 48 -2.964 -10.765 13.910 1.00 22.02 H new ATOM 0 HA ARG A 48 -2.089 -9.131 15.894 1.00 44.40 H new ATOM 0 HB2 ARG A 48 -4.846 -10.404 15.863 1.00 5.53 H new ATOM 0 HB3 ARG A 48 -4.414 -8.815 16.463 1.00 5.53 H new ATOM 0 HG2 ARG A 48 -4.767 -7.907 14.443 1.00 21.33 H new ATOM 0 HG3 ARG A 48 -3.596 -8.983 13.709 1.00 21.33 H new ATOM 0 HD2 ARG A 48 -6.568 -9.441 14.094 1.00 21.44 H new ATOM 0 HD3 ARG A 48 -5.671 -9.389 12.590 1.00 21.44 H new ATOM 0 HE ARG A 48 -4.608 -11.512 14.176 1.00 2.35 H new ATOM 0 HH11 ARG A 48 -7.542 -10.599 12.439 1.00 10.21 H new ATOM 0 HH12 ARG A 48 -8.002 -12.271 12.103 1.00 10.21 H new ATOM 0 HH21 ARG A 48 -5.205 -13.657 13.740 1.00 34.33 H new ATOM 0 HH22 ARG A 48 -6.684 -13.995 12.836 1.00 34.33 H new ATOM 659 N ARG A 49 -3.677 -10.957 17.875 1.00 32.24 N ATOM 660 CA ARG A 49 -3.659 -11.685 19.139 1.00 51.42 C ATOM 661 C ARG A 49 -3.366 -13.164 18.910 1.00 23.41 C ATOM 662 O ARG A 49 -3.493 -13.981 19.823 1.00 22.03 O ATOM 663 CB ARG A 49 -4.997 -11.525 19.863 1.00 52.11 C ATOM 664 CG ARG A 49 -6.126 -12.332 19.242 1.00 42.42 C ATOM 665 CD ARG A 49 -6.358 -13.634 19.991 1.00 24.24 C ATOM 666 NE ARG A 49 -6.375 -14.786 19.094 1.00 23.42 N ATOM 667 CZ ARG A 49 -6.783 -15.996 19.460 1.00 61.52 C ATOM 668 NH1 ARG A 49 -7.206 -16.211 20.698 1.00 61.11 N ATOM 669 NH2 ARG A 49 -6.769 -16.995 18.586 1.00 51.22 N ATOM 0 H ARG A 49 -4.594 -10.598 17.608 1.00 32.24 H new ATOM 0 HA ARG A 49 -2.866 -11.267 19.759 1.00 51.42 H new ATOM 0 HB2 ARG A 49 -4.876 -11.827 20.903 1.00 52.11 H new ATOM 0 HB3 ARG A 49 -5.275 -10.471 19.867 1.00 52.11 H new ATOM 0 HG2 ARG A 49 -7.042 -11.741 19.246 1.00 42.42 H new ATOM 0 HG3 ARG A 49 -5.890 -12.548 18.200 1.00 42.42 H new ATOM 0 HD2 ARG A 49 -5.575 -13.767 20.737 1.00 24.24 H new ATOM 0 HD3 ARG A 49 -7.305 -13.579 20.529 1.00 24.24 H new ATOM 0 HE ARG A 49 -6.056 -14.654 18.134 1.00 23.42 H new ATOM 0 HH11 ARG A 49 -7.219 -15.446 21.373 1.00 61.11 H new ATOM 0 HH12 ARG A 49 -7.519 -17.141 20.976 1.00 61.11 H new ATOM 0 HH21 ARG A 49 -6.445 -16.834 17.632 1.00 51.22 H new ATOM 0 HH22 ARG A 49 -7.082 -17.924 18.868 1.00 51.22 H new ATOM 683 N CYS A 50 -2.974 -13.502 17.687 1.00 61.14 N ATOM 684 CA CYS A 50 -2.664 -14.884 17.337 1.00 3.12 C ATOM 685 C CYS A 50 -1.166 -15.149 17.447 1.00 21.53 C ATOM 686 O CYS A 50 -0.415 -14.322 17.963 1.00 2.35 O ATOM 687 CB CYS A 50 -3.146 -15.194 15.919 1.00 11.14 C ATOM 688 SG CYS A 50 -4.420 -16.475 15.836 1.00 3.45 S ATOM 0 H CYS A 50 -2.863 -12.838 16.921 1.00 61.14 H new ATOM 0 HA CYS A 50 -3.183 -15.536 18.040 1.00 3.12 H new ATOM 0 HB2 CYS A 50 -3.535 -14.280 15.471 1.00 11.14 H new ATOM 0 HB3 CYS A 50 -2.293 -15.506 15.317 1.00 11.14 H new ATOM 0 HG CYS A 50 -4.764 -16.665 14.597 1.00 3.45 H new ATOM 694 N ASP A 51 -0.739 -16.309 16.961 1.00 62.35 N ATOM 695 CA ASP A 51 0.670 -16.685 17.005 1.00 53.14 C ATOM 696 C ASP A 51 1.495 -15.810 16.066 1.00 31.21 C ATOM 697 O ASP A 51 0.990 -15.313 15.060 1.00 35.21 O ATOM 698 CB ASP A 51 0.839 -18.158 16.629 1.00 13.04 C ATOM 699 CG ASP A 51 -0.290 -19.023 17.155 1.00 11.43 C ATOM 700 OD1 ASP A 51 -0.421 -19.141 18.392 1.00 65.11 O ATOM 701 OD2 ASP A 51 -1.044 -19.580 16.331 1.00 63.05 O ATOM 0 H ASP A 51 -1.348 -17.006 16.532 1.00 62.35 H new ATOM 0 HA ASP A 51 1.029 -16.534 18.023 1.00 53.14 H new ATOM 0 HB2 ASP A 51 0.888 -18.250 15.544 1.00 13.04 H new ATOM 0 HB3 ASP A 51 1.787 -18.524 17.023 1.00 13.04 H new ATOM 706 N ALA A 52 2.767 -15.626 16.403 1.00 2.31 N ATOM 707 CA ALA A 52 3.663 -14.812 15.590 1.00 15.13 C ATOM 708 C ALA A 52 4.928 -15.582 15.229 1.00 61.01 C ATOM 709 O ALA A 52 5.394 -16.423 15.996 1.00 61.52 O ATOM 710 CB ALA A 52 4.016 -13.525 16.321 1.00 30.24 C ATOM 0 H ALA A 52 3.201 -16.029 17.233 1.00 2.31 H new ATOM 0 HA ALA A 52 3.146 -14.561 14.664 1.00 15.13 H new ATOM 0 HB1 ALA A 52 4.685 -12.927 15.702 1.00 30.24 H new ATOM 0 HB2 ALA A 52 3.106 -12.960 16.522 1.00 30.24 H new ATOM 0 HB3 ALA A 52 4.510 -13.765 17.263 1.00 30.24 H new ATOM 716 N ASN A 53 5.479 -15.288 14.056 1.00 61.54 N ATOM 717 CA ASN A 53 6.691 -15.955 13.592 1.00 12.11 C ATOM 718 C ASN A 53 7.713 -14.939 13.092 1.00 2.22 C ATOM 719 O ASN A 53 7.683 -14.533 11.931 1.00 2.24 O ATOM 720 CB ASN A 53 6.357 -16.949 12.478 1.00 34.22 C ATOM 721 CG ASN A 53 5.917 -18.296 13.018 1.00 21.34 C ATOM 722 OD1 ASN A 53 6.517 -19.326 12.712 1.00 64.44 O ATOM 723 ND2 ASN A 53 4.864 -18.294 13.827 1.00 30.23 N ATOM 0 H ASN A 53 5.106 -14.593 13.409 1.00 61.54 H new ATOM 0 HA ASN A 53 7.123 -16.495 14.434 1.00 12.11 H new ATOM 0 HB2 ASN A 53 5.567 -16.536 11.851 1.00 34.22 H new ATOM 0 HB3 ASN A 53 7.231 -17.084 11.841 1.00 34.22 H new ATOM 0 HD21 ASN A 53 4.522 -19.170 14.222 1.00 30.23 H new ATOM 0 HD22 ASN A 53 4.397 -17.416 14.054 1.00 30.23 H new ATOM 730 N ASN A 54 8.618 -14.533 13.978 1.00 54.04 N ATOM 731 CA ASN A 54 9.650 -13.564 13.627 1.00 72.35 C ATOM 732 C ASN A 54 10.833 -14.251 12.950 1.00 14.23 C ATOM 733 O ASN A 54 11.264 -15.324 13.372 1.00 24.13 O ATOM 734 CB ASN A 54 10.124 -12.818 14.875 1.00 24.43 C ATOM 735 CG ASN A 54 9.023 -11.990 15.508 1.00 74.23 C ATOM 736 OD1 ASN A 54 9.283 -10.956 16.123 1.00 24.54 O ATOM 737 ND2 ASN A 54 7.783 -12.442 15.358 1.00 31.22 N ATOM 0 H ASN A 54 8.657 -14.860 14.943 1.00 54.04 H new ATOM 0 HA ASN A 54 9.219 -12.848 12.927 1.00 72.35 H new ATOM 0 HB2 ASN A 54 10.499 -13.537 15.604 1.00 24.43 H new ATOM 0 HB3 ASN A 54 10.958 -12.167 14.611 1.00 24.43 H new ATOM 0 HD21 ASN A 54 7.000 -11.927 15.761 1.00 31.22 H new ATOM 0 HD22 ASN A 54 7.614 -13.304 14.840 1.00 31.22 H new ATOM 853 N ILE A 63 5.927 -19.109 17.498 1.00 74.42 N ATOM 854 CA ILE A 63 5.333 -18.990 18.824 1.00 44.11 C ATOM 855 C ILE A 63 4.036 -18.189 18.776 1.00 64.31 C ATOM 856 O ILE A 63 3.734 -17.509 17.795 1.00 33.04 O ATOM 857 CB ILE A 63 6.302 -18.318 19.815 1.00 32.24 C ATOM 858 CG1 ILE A 63 7.396 -17.561 19.060 1.00 54.22 C ATOM 859 CG2 ILE A 63 6.914 -19.357 20.744 1.00 54.51 C ATOM 860 CD1 ILE A 63 8.385 -16.863 19.967 1.00 34.22 C ATOM 0 HA ILE A 63 5.119 -20.002 19.167 1.00 44.11 H new ATOM 0 HB ILE A 63 5.743 -17.603 20.418 1.00 32.24 H new ATOM 0 HG12 ILE A 63 7.934 -18.260 18.419 1.00 54.22 H new ATOM 0 HG13 ILE A 63 6.931 -16.823 18.407 1.00 54.22 H new ATOM 0 HG21 ILE A 63 7.596 -18.867 21.438 1.00 54.51 H new ATOM 0 HG22 ILE A 63 6.123 -19.856 21.304 1.00 54.51 H new ATOM 0 HG23 ILE A 63 7.462 -20.093 20.156 1.00 54.51 H new ATOM 0 HD11 ILE A 63 9.131 -16.347 19.363 1.00 34.22 H new ATOM 0 HD12 ILE A 63 7.859 -16.139 20.590 1.00 34.22 H new ATOM 0 HD13 ILE A 63 8.878 -17.599 20.603 1.00 34.22 H new ATOM 872 N PRO A 64 3.251 -18.269 19.860 1.00 23.25 N ATOM 873 CA PRO A 64 1.975 -17.556 19.968 1.00 72.51 C ATOM 874 C PRO A 64 2.162 -16.048 20.094 1.00 73.45 C ATOM 875 O PRO A 64 3.288 -15.551 20.093 1.00 4.14 O ATOM 876 CB PRO A 64 1.357 -18.127 21.247 1.00 75.13 C ATOM 877 CG PRO A 64 2.519 -18.592 22.055 1.00 53.33 C ATOM 878 CD PRO A 64 3.550 -19.061 21.066 1.00 54.03 C ATOM 0 HA PRO A 64 1.356 -17.692 19.081 1.00 72.51 H new ATOM 0 HB2 PRO A 64 0.781 -17.370 21.780 1.00 75.13 H new ATOM 0 HB3 PRO A 64 0.675 -18.948 21.025 1.00 75.13 H new ATOM 0 HG2 PRO A 64 2.911 -17.786 22.675 1.00 53.33 H new ATOM 0 HG3 PRO A 64 2.229 -19.399 22.728 1.00 53.33 H new ATOM 0 HD2 PRO A 64 4.563 -18.879 21.425 1.00 54.03 H new ATOM 0 HD3 PRO A 64 3.466 -20.131 20.875 1.00 54.03 H new ATOM 886 N CYS A 65 1.052 -15.326 20.201 1.00 31.40 N ATOM 887 CA CYS A 65 1.094 -13.874 20.327 1.00 11.12 C ATOM 888 C CYS A 65 2.305 -13.434 21.143 1.00 11.23 C ATOM 889 O CYS A 65 2.291 -13.489 22.372 1.00 13.12 O ATOM 890 CB CYS A 65 -0.190 -13.361 20.980 1.00 13.41 C ATOM 891 SG CYS A 65 -0.691 -14.285 22.451 1.00 71.20 S ATOM 0 H CYS A 65 0.112 -15.723 20.203 1.00 31.40 H new ATOM 0 HA CYS A 65 1.179 -13.449 19.327 1.00 11.12 H new ATOM 0 HB2 CYS A 65 -0.054 -12.314 21.251 1.00 13.41 H new ATOM 0 HB3 CYS A 65 -0.997 -13.399 20.248 1.00 13.41 H new ATOM 0 HG CYS A 65 -1.785 -13.774 22.932 1.00 71.20 H new ATOM 897 N ASN A 66 3.352 -12.998 20.451 1.00 63.54 N ATOM 898 CA ASN A 66 4.573 -12.551 21.111 1.00 21.03 C ATOM 899 C ASN A 66 4.249 -11.681 22.322 1.00 71.01 C ATOM 900 O ASN A 66 4.993 -11.662 23.302 1.00 61.24 O ATOM 901 CB ASN A 66 5.453 -11.773 20.131 1.00 55.44 C ATOM 902 CG ASN A 66 4.690 -10.673 19.417 1.00 74.41 C ATOM 903 OD1 ASN A 66 4.849 -9.492 19.724 1.00 52.11 O ATOM 904 ND2 ASN A 66 3.855 -11.059 18.459 1.00 51.13 N ATOM 0 H ASN A 66 3.380 -12.945 19.433 1.00 63.54 H new ATOM 0 HA ASN A 66 5.115 -13.433 21.453 1.00 21.03 H new ATOM 0 HB2 ASN A 66 6.295 -11.337 20.670 1.00 55.44 H new ATOM 0 HB3 ASN A 66 5.868 -12.461 19.394 1.00 55.44 H new ATOM 0 HD21 ASN A 66 3.314 -10.365 17.944 1.00 51.13 H new ATOM 0 HD22 ASN A 66 3.755 -12.050 18.238 1.00 51.13 H new ATOM 911 N GLU A 67 3.133 -10.963 22.246 1.00 52.21 N ATOM 912 CA GLU A 67 2.711 -10.091 23.336 1.00 53.23 C ATOM 913 C GLU A 67 1.758 -10.820 24.278 1.00 34.22 C ATOM 914 O GLU A 67 0.729 -10.277 24.681 1.00 51.41 O ATOM 915 CB GLU A 67 2.035 -8.835 22.781 1.00 1.21 C ATOM 916 CG GLU A 67 1.191 -9.093 21.544 1.00 24.31 C ATOM 917 CD GLU A 67 1.942 -8.813 20.257 1.00 64.31 C ATOM 918 OE1 GLU A 67 1.685 -9.515 19.256 1.00 10.21 O ATOM 919 OE2 GLU A 67 2.787 -7.894 20.250 1.00 11.30 O ATOM 0 H GLU A 67 2.505 -10.968 21.442 1.00 52.21 H new ATOM 0 HA GLU A 67 3.598 -9.800 23.898 1.00 53.23 H new ATOM 0 HB2 GLU A 67 1.404 -8.400 23.556 1.00 1.21 H new ATOM 0 HB3 GLU A 67 2.800 -8.097 22.541 1.00 1.21 H new ATOM 0 HG2 GLU A 67 0.857 -10.130 21.547 1.00 24.31 H new ATOM 0 HG3 GLU A 67 0.297 -8.470 21.582 1.00 24.31 H new ATOM 926 N ASP A 68 2.107 -12.054 24.625 1.00 41.01 N ATOM 927 CA ASP A 68 1.284 -12.859 25.520 1.00 0.21 C ATOM 928 C ASP A 68 0.181 -12.014 26.150 1.00 74.51 C ATOM 929 O ASP A 68 0.260 -11.644 27.321 1.00 4.55 O ATOM 930 CB ASP A 68 2.148 -13.489 26.614 1.00 42.05 C ATOM 931 CG ASP A 68 2.648 -14.869 26.233 1.00 45.51 C ATOM 932 OD1 ASP A 68 2.549 -15.228 25.041 1.00 72.31 O ATOM 933 OD2 ASP A 68 3.141 -15.588 27.127 1.00 75.22 O ATOM 0 H ASP A 68 2.955 -12.519 24.300 1.00 41.01 H new ATOM 0 HA ASP A 68 0.820 -13.652 24.933 1.00 0.21 H new ATOM 0 HB2 ASP A 68 3.000 -12.841 26.819 1.00 42.05 H new ATOM 0 HB3 ASP A 68 1.570 -13.557 27.536 1.00 42.05 H new ATOM 938 N HIS A 69 -0.848 -11.713 25.364 1.00 35.13 N ATOM 939 CA HIS A 69 -1.968 -10.912 25.845 1.00 13.30 C ATOM 940 C HIS A 69 -3.290 -11.645 25.638 1.00 61.34 C ATOM 941 O HIS A 69 -3.665 -11.995 24.518 1.00 0.52 O ATOM 942 CB HIS A 69 -2.002 -9.562 25.127 1.00 35.30 C ATOM 943 CG HIS A 69 -2.192 -9.677 23.646 1.00 42.43 C ATOM 944 ND1 HIS A 69 -1.296 -10.323 22.820 1.00 34.53 N ATOM 945 CD2 HIS A 69 -3.182 -9.223 22.842 1.00 33.42 C ATOM 946 CE1 HIS A 69 -1.727 -10.262 21.573 1.00 51.31 C ATOM 947 NE2 HIS A 69 -2.870 -9.600 21.559 1.00 40.30 N ATOM 0 H HIS A 69 -0.929 -12.011 24.392 1.00 35.13 H new ATOM 0 HA HIS A 69 -1.830 -10.744 26.913 1.00 13.30 H new ATOM 0 HB2 HIS A 69 -2.809 -8.959 25.543 1.00 35.30 H new ATOM 0 HB3 HIS A 69 -1.071 -9.030 25.326 1.00 35.30 H new ATOM 0 HD1 HIS A 69 -0.435 -10.777 23.125 1.00 34.53 H new ATOM 0 HD2 HIS A 69 -4.055 -8.668 23.152 1.00 33.42 H new ATOM 0 HE1 HIS A 69 -1.230 -10.682 20.711 1.00 51.31 H new ATOM 955 N PRO A 70 -4.013 -11.886 26.741 1.00 14.22 N ATOM 956 CA PRO A 70 -5.304 -12.580 26.706 1.00 61.31 C ATOM 957 C PRO A 70 -6.397 -11.740 26.054 1.00 63.10 C ATOM 958 O PRO A 70 -7.562 -12.138 26.021 1.00 10.42 O ATOM 959 CB PRO A 70 -5.621 -12.815 28.185 1.00 62.31 C ATOM 960 CG PRO A 70 -4.878 -11.744 28.906 1.00 31.23 C ATOM 961 CD PRO A 70 -3.628 -11.498 28.108 1.00 4.13 C ATOM 0 HA PRO A 70 -5.259 -13.495 26.115 1.00 61.31 H new ATOM 0 HB2 PRO A 70 -6.692 -12.751 28.375 1.00 62.31 H new ATOM 0 HB3 PRO A 70 -5.299 -13.806 28.506 1.00 62.31 H new ATOM 0 HG2 PRO A 70 -5.477 -10.837 28.982 1.00 31.23 H new ATOM 0 HG3 PRO A 70 -4.637 -12.053 29.923 1.00 31.23 H new ATOM 0 HD2 PRO A 70 -3.319 -10.454 28.157 1.00 4.13 H new ATOM 0 HD3 PRO A 70 -2.793 -12.095 28.475 1.00 4.13 H new ATOM 969 N CYS A 71 -6.014 -10.578 25.536 1.00 24.42 N ATOM 970 CA CYS A 71 -6.962 -9.682 24.885 1.00 42.41 C ATOM 971 C CYS A 71 -7.070 -9.993 23.396 1.00 61.13 C ATOM 972 O CYS A 71 -6.150 -10.555 22.800 1.00 51.32 O ATOM 973 CB CYS A 71 -6.538 -8.226 25.084 1.00 13.34 C ATOM 974 SG CYS A 71 -7.647 -7.022 24.314 1.00 24.44 S ATOM 0 H CYS A 71 -5.054 -10.235 25.554 1.00 24.42 H new ATOM 0 HA CYS A 71 -7.940 -9.834 25.341 1.00 42.41 H new ATOM 0 HB2 CYS A 71 -6.480 -8.019 26.152 1.00 13.34 H new ATOM 0 HB3 CYS A 71 -5.535 -8.092 24.678 1.00 13.34 H new ATOM 0 HG CYS A 71 -8.854 -7.192 24.767 1.00 24.44 H new ATOM 980 N HIS A 72 -8.200 -9.626 22.800 1.00 33.22 N ATOM 981 CA HIS A 72 -8.429 -9.868 21.380 1.00 14.50 C ATOM 982 C HIS A 72 -7.370 -9.169 20.533 1.00 61.55 C ATOM 983 O HIS A 72 -6.577 -8.376 21.041 1.00 20.30 O ATOM 984 CB HIS A 72 -9.822 -9.383 20.977 1.00 53.20 C ATOM 985 CG HIS A 72 -10.932 -10.220 21.534 1.00 73.11 C ATOM 986 ND1 HIS A 72 -10.797 -10.991 22.669 1.00 2.22 N ATOM 987 CD2 HIS A 72 -12.203 -10.404 21.106 1.00 52.42 C ATOM 988 CE1 HIS A 72 -11.936 -11.613 22.915 1.00 63.55 C ATOM 989 NE2 HIS A 72 -12.806 -11.274 21.981 1.00 42.24 N ATOM 0 H HIS A 72 -8.971 -9.160 23.278 1.00 33.22 H new ATOM 0 HA HIS A 72 -8.361 -10.941 21.203 1.00 14.50 H new ATOM 0 HB2 HIS A 72 -9.951 -8.354 21.312 1.00 53.20 H new ATOM 0 HB3 HIS A 72 -9.894 -9.375 19.889 1.00 53.20 H new ATOM 0 HD2 HIS A 72 -12.658 -9.951 20.238 1.00 52.42 H new ATOM 0 HE1 HIS A 72 -12.124 -12.285 23.740 1.00 63.55 H new ATOM 0 HE2 HIS A 72 -13.769 -11.605 21.920 1.00 42.24 H new ATOM 997 N HIS A 73 -7.362 -9.470 19.238 1.00 61.52 N ATOM 998 CA HIS A 73 -6.400 -8.872 18.320 1.00 45.13 C ATOM 999 C HIS A 73 -6.257 -7.375 18.581 1.00 33.53 C ATOM 1000 O HIS A 73 -6.768 -6.551 17.821 1.00 23.54 O ATOM 1001 CB HIS A 73 -6.828 -9.110 16.871 1.00 13.25 C ATOM 1002 CG HIS A 73 -8.302 -8.957 16.650 1.00 4.22 C ATOM 1003 ND1 HIS A 73 -8.902 -7.742 16.396 1.00 53.04 N ATOM 1004 CD2 HIS A 73 -9.296 -9.875 16.645 1.00 71.13 C ATOM 1005 CE1 HIS A 73 -10.203 -7.919 16.245 1.00 63.31 C ATOM 1006 NE2 HIS A 73 -10.468 -9.205 16.391 1.00 64.12 N ATOM 0 H HIS A 73 -8.011 -10.124 18.801 1.00 61.52 H new ATOM 0 HA HIS A 73 -5.433 -9.346 18.488 1.00 45.13 H new ATOM 0 HB2 HIS A 73 -6.297 -8.411 16.224 1.00 13.25 H new ATOM 0 HB3 HIS A 73 -6.526 -10.114 16.572 1.00 13.25 H new ATOM 0 HD1 HIS A 73 -8.418 -6.847 16.334 1.00 53.04 H new ATOM 0 HD2 HIS A 73 -9.188 -10.937 16.810 1.00 71.13 H new ATOM 0 HE1 HIS A 73 -10.926 -7.144 16.038 1.00 63.31 H new ATOM 1014 N CYS A 74 -5.562 -7.032 19.660 1.00 53.01 N ATOM 1015 CA CYS A 74 -5.355 -5.634 20.023 1.00 65.55 C ATOM 1016 C CYS A 74 -4.304 -5.508 21.121 1.00 32.32 C ATOM 1017 O CYS A 74 -4.028 -6.467 21.844 1.00 42.44 O ATOM 1018 CB CYS A 74 -6.670 -5.004 20.483 1.00 61.42 C ATOM 1019 SG CYS A 74 -7.638 -4.259 19.150 1.00 64.14 S ATOM 0 H CYS A 74 -5.133 -7.702 20.298 1.00 53.01 H new ATOM 0 HA CYS A 74 -4.997 -5.104 19.140 1.00 65.55 H new ATOM 0 HB2 CYS A 74 -7.274 -5.767 20.973 1.00 61.42 H new ATOM 0 HB3 CYS A 74 -6.453 -4.241 21.230 1.00 61.42 H new ATOM 0 HG CYS A 74 -7.482 -4.951 18.061 1.00 64.14 H new ATOM 1025 N HIS A 75 -3.720 -4.320 21.241 1.00 73.11 N ATOM 1026 CA HIS A 75 -2.699 -4.069 22.251 1.00 2.42 C ATOM 1027 C HIS A 75 -3.156 -4.562 23.621 1.00 62.54 C ATOM 1028 O HIS A 75 -4.338 -4.834 23.829 1.00 25.24 O ATOM 1029 CB HIS A 75 -2.373 -2.576 22.317 1.00 30.20 C ATOM 1030 CG HIS A 75 -3.474 -1.748 22.905 1.00 22.33 C ATOM 1031 ND1 HIS A 75 -3.364 -1.104 24.120 1.00 74.24 N ATOM 1032 CD2 HIS A 75 -4.711 -1.460 22.438 1.00 1.51 C ATOM 1033 CE1 HIS A 75 -4.487 -0.457 24.375 1.00 52.53 C ATOM 1034 NE2 HIS A 75 -5.321 -0.656 23.370 1.00 44.44 N ATOM 0 H HIS A 75 -3.937 -3.516 20.651 1.00 73.11 H new ATOM 0 HA HIS A 75 -1.801 -4.618 21.968 1.00 2.42 H new ATOM 0 HB2 HIS A 75 -1.468 -2.436 22.909 1.00 30.20 H new ATOM 0 HB3 HIS A 75 -2.155 -2.215 21.312 1.00 30.20 H new ATOM 0 HD2 HIS A 75 -5.139 -1.799 21.506 1.00 1.51 H new ATOM 0 HE1 HIS A 75 -4.689 0.134 25.256 1.00 52.53 H new ATOM 0 HE2 HIS A 75 -6.264 -0.275 23.298 1.00 44.44 H new ATOM 1042 N GLU A 76 -2.211 -4.677 24.549 1.00 50.41 N ATOM 1043 CA GLU A 76 -2.518 -5.139 25.897 1.00 22.42 C ATOM 1044 C GLU A 76 -3.570 -4.249 26.552 1.00 73.23 C ATOM 1045 O GLU A 76 -3.258 -3.174 27.062 1.00 64.02 O ATOM 1046 CB GLU A 76 -1.250 -5.163 26.753 1.00 2.42 C ATOM 1047 CG GLU A 76 -0.485 -3.850 26.744 1.00 42.25 C ATOM 1048 CD GLU A 76 -0.643 -3.073 28.036 1.00 54.41 C ATOM 1049 OE1 GLU A 76 -0.631 -1.825 27.982 1.00 4.14 O ATOM 1050 OE2 GLU A 76 -0.780 -3.711 29.100 1.00 21.31 O ATOM 0 H GLU A 76 -1.228 -4.457 24.392 1.00 50.41 H new ATOM 0 HA GLU A 76 -2.918 -6.150 25.824 1.00 22.42 H new ATOM 0 HB2 GLU A 76 -1.520 -5.410 27.780 1.00 2.42 H new ATOM 0 HB3 GLU A 76 -0.595 -5.958 26.396 1.00 2.42 H new ATOM 0 HG2 GLU A 76 0.572 -4.051 26.573 1.00 42.25 H new ATOM 0 HG3 GLU A 76 -0.832 -3.238 25.912 1.00 42.25 H new ATOM 1057 N GLU A 77 -4.819 -4.706 26.532 1.00 64.02 N ATOM 1058 CA GLU A 77 -5.917 -3.950 27.122 1.00 73.51 C ATOM 1059 C GLU A 77 -6.254 -4.477 28.514 1.00 23.01 C ATOM 1060 O GLU A 77 -5.469 -5.207 29.120 1.00 43.21 O ATOM 1061 CB GLU A 77 -7.155 -4.022 26.225 1.00 62.22 C ATOM 1062 CG GLU A 77 -6.887 -3.619 24.784 1.00 25.45 C ATOM 1063 CD GLU A 77 -8.120 -3.074 24.092 1.00 52.22 C ATOM 1064 OE1 GLU A 77 -8.613 -3.733 23.152 1.00 23.24 O ATOM 1065 OE2 GLU A 77 -8.593 -1.988 24.489 1.00 61.35 O ATOM 0 H GLU A 77 -5.095 -5.595 26.114 1.00 64.02 H new ATOM 0 HA GLU A 77 -5.601 -2.911 27.212 1.00 73.51 H new ATOM 0 HB2 GLU A 77 -7.547 -5.039 26.242 1.00 62.22 H new ATOM 0 HB3 GLU A 77 -7.930 -3.375 26.636 1.00 62.22 H new ATOM 0 HG2 GLU A 77 -6.100 -2.866 24.762 1.00 25.45 H new ATOM 0 HG3 GLU A 77 -6.517 -4.483 24.232 1.00 25.45 H new ATOM 1072 N ASP A 78 -7.425 -4.101 29.015 1.00 32.01 N ATOM 1073 CA ASP A 78 -7.867 -4.535 30.335 1.00 1.04 C ATOM 1074 C ASP A 78 -8.268 -6.007 30.318 1.00 52.33 C ATOM 1075 O ASP A 78 -8.558 -6.594 31.360 1.00 3.02 O ATOM 1076 CB ASP A 78 -9.042 -3.679 30.810 1.00 1.24 C ATOM 1077 CG ASP A 78 -9.488 -4.036 32.215 1.00 72.24 C ATOM 1078 OD1 ASP A 78 -8.632 -4.456 33.021 1.00 3.20 O ATOM 1079 OD2 ASP A 78 -10.694 -3.895 32.507 1.00 22.43 O ATOM 0 H ASP A 78 -8.086 -3.496 28.527 1.00 32.01 H new ATOM 0 HA ASP A 78 -7.035 -4.412 31.028 1.00 1.04 H new ATOM 0 HB2 ASP A 78 -8.758 -2.627 30.778 1.00 1.24 H new ATOM 0 HB3 ASP A 78 -9.879 -3.804 30.123 1.00 1.24 H new ATOM 1084 N ASP A 79 -8.284 -6.596 29.127 1.00 10.22 N ATOM 1085 CA ASP A 79 -8.650 -7.999 28.973 1.00 21.13 C ATOM 1086 C ASP A 79 -7.640 -8.904 29.672 1.00 3.20 C ATOM 1087 O ASP A 79 -6.440 -8.829 29.411 1.00 22.31 O ATOM 1088 CB ASP A 79 -8.741 -8.365 27.491 1.00 11.11 C ATOM 1089 CG ASP A 79 -10.173 -8.532 27.023 1.00 14.30 C ATOM 1090 OD1 ASP A 79 -10.985 -9.098 27.785 1.00 11.44 O ATOM 1091 OD2 ASP A 79 -10.483 -8.096 25.895 1.00 50.33 O ATOM 0 H ASP A 79 -8.048 -6.124 28.254 1.00 10.22 H new ATOM 0 HA ASP A 79 -9.625 -8.147 29.436 1.00 21.13 H new ATOM 0 HB2 ASP A 79 -8.256 -7.590 26.898 1.00 11.11 H new ATOM 0 HB3 ASP A 79 -8.194 -9.291 27.314 1.00 11.11 H new ATOM 1096 N GLY A 80 -8.134 -9.758 30.563 1.00 55.01 N ATOM 1097 CA GLY A 80 -7.262 -10.664 31.286 1.00 5.24 C ATOM 1098 C GLY A 80 -7.412 -10.537 32.789 1.00 21.24 C ATOM 1099 O GLY A 80 -8.448 -10.088 33.281 1.00 45.13 O ATOM 0 H GLY A 80 -9.124 -9.838 30.797 1.00 55.01 H new ATOM 0 HA2 GLY A 80 -7.481 -11.689 30.988 1.00 5.24 H new ATOM 0 HA3 GLY A 80 -6.227 -10.465 31.009 1.00 5.24 H new ATOM 1103 N ASP A 81 -6.377 -10.935 33.521 1.00 33.34 N ATOM 1104 CA ASP A 81 -6.399 -10.865 34.978 1.00 41.32 C ATOM 1105 C ASP A 81 -5.334 -9.900 35.491 1.00 70.40 C ATOM 1106 O ASP A 81 -4.651 -9.239 34.709 1.00 43.42 O ATOM 1107 CB ASP A 81 -6.180 -12.253 35.580 1.00 31.43 C ATOM 1108 CG ASP A 81 -7.428 -12.798 36.247 1.00 23.33 C ATOM 1109 OD1 ASP A 81 -8.495 -12.801 35.598 1.00 22.52 O ATOM 1110 OD2 ASP A 81 -7.337 -13.222 37.418 1.00 21.22 O ATOM 0 H ASP A 81 -5.513 -11.309 33.130 1.00 33.34 H new ATOM 0 HA ASP A 81 -7.377 -10.495 35.285 1.00 41.32 H new ATOM 0 HB2 ASP A 81 -5.861 -12.940 34.796 1.00 31.43 H new ATOM 0 HB3 ASP A 81 -5.372 -12.206 36.310 1.00 31.43 H new ATOM 1115 N THR A 82 -5.198 -9.825 36.811 1.00 13.44 N ATOM 1116 CA THR A 82 -4.219 -8.940 37.429 1.00 2.04 C ATOM 1117 C THR A 82 -2.815 -9.225 36.909 1.00 23.42 C ATOM 1118 O THR A 82 -2.288 -8.487 36.076 1.00 54.10 O ATOM 1119 CB THR A 82 -4.224 -9.080 38.963 1.00 30.44 C ATOM 1120 OG1 THR A 82 -5.558 -8.938 39.464 1.00 50.21 O ATOM 1121 CG2 THR A 82 -3.322 -8.037 39.605 1.00 22.33 C ATOM 0 H THR A 82 -5.754 -10.367 37.473 1.00 13.44 H new ATOM 0 HA THR A 82 -4.502 -7.921 37.164 1.00 2.04 H new ATOM 0 HB THR A 82 -3.845 -10.070 39.216 1.00 30.44 H new ATOM 0 HG1 THR A 82 -5.553 -9.030 40.440 1.00 50.21 H new ATOM 0 HG21 THR A 82 -3.342 -8.156 40.688 1.00 22.33 H new ATOM 0 HG22 THR A 82 -2.302 -8.167 39.244 1.00 22.33 H new ATOM 0 HG23 THR A 82 -3.675 -7.040 39.343 1.00 22.33 H new ATOM 1129 N HIS A 83 -2.212 -10.302 37.405 1.00 52.40 N ATOM 1130 CA HIS A 83 -0.868 -10.685 36.988 1.00 30.33 C ATOM 1131 C HIS A 83 -0.752 -10.693 35.467 1.00 12.11 C ATOM 1132 O HIS A 83 0.232 -10.208 34.907 1.00 22.35 O ATOM 1133 CB HIS A 83 -0.513 -12.064 37.545 1.00 23.14 C ATOM 1134 CG HIS A 83 -0.531 -12.129 39.042 1.00 52.53 C ATOM 1135 ND1 HIS A 83 -0.658 -11.012 39.842 1.00 62.55 N ATOM 1136 CD2 HIS A 83 -0.440 -13.185 39.884 1.00 50.55 C ATOM 1137 CE1 HIS A 83 -0.642 -11.379 41.111 1.00 41.14 C ATOM 1138 NE2 HIS A 83 -0.511 -12.692 41.163 1.00 32.25 N ATOM 0 H HIS A 83 -2.633 -10.924 38.095 1.00 52.40 H new ATOM 0 HA HIS A 83 -0.168 -9.949 37.384 1.00 30.33 H new ATOM 0 HB2 HIS A 83 -1.215 -12.798 37.149 1.00 23.14 H new ATOM 0 HB3 HIS A 83 0.478 -12.346 37.189 1.00 23.14 H new ATOM 0 HD2 HIS A 83 -0.332 -14.222 39.602 1.00 50.55 H new ATOM 0 HE1 HIS A 83 -0.722 -10.718 41.961 1.00 41.14 H new ATOM 0 HE2 HIS A 83 -0.469 -13.250 42.016 1.00 32.25 H new ATOM 1146 N CYS A 84 -1.762 -11.246 34.805 1.00 40.14 N ATOM 1147 CA CYS A 84 -1.773 -11.318 33.348 1.00 45.02 C ATOM 1148 C CYS A 84 -1.609 -9.932 32.734 1.00 51.54 C ATOM 1149 O CYS A 84 -0.763 -9.722 31.864 1.00 71.15 O ATOM 1150 CB CYS A 84 -3.073 -11.956 32.857 1.00 20.24 C ATOM 1151 SG CYS A 84 -2.935 -13.720 32.486 1.00 33.40 S ATOM 0 H CYS A 84 -2.584 -11.651 35.254 1.00 40.14 H new ATOM 0 HA CYS A 84 -0.932 -11.937 33.034 1.00 45.02 H new ATOM 0 HB2 CYS A 84 -3.844 -11.814 33.615 1.00 20.24 H new ATOM 0 HB3 CYS A 84 -3.407 -11.432 31.961 1.00 20.24 H new ATOM 0 HG CYS A 84 -4.085 -14.169 32.081 1.00 33.40 H new ATOM 1157 N HIS A 85 -2.425 -8.987 33.191 1.00 74.31 N ATOM 1158 CA HIS A 85 -2.372 -7.620 32.686 1.00 70.15 C ATOM 1159 C HIS A 85 -1.028 -6.974 33.007 1.00 63.21 C ATOM 1160 O HIS A 85 -0.562 -6.094 32.282 1.00 12.44 O ATOM 1161 CB HIS A 85 -3.507 -6.788 33.284 1.00 62.22 C ATOM 1162 CG HIS A 85 -3.039 -5.745 34.251 1.00 42.42 C ATOM 1163 ND1 HIS A 85 -2.554 -6.045 35.506 1.00 20.12 N ATOM 1164 CD2 HIS A 85 -2.982 -4.397 34.140 1.00 41.31 C ATOM 1165 CE1 HIS A 85 -2.221 -4.927 36.126 1.00 23.23 C ATOM 1166 NE2 HIS A 85 -2.470 -3.912 35.319 1.00 72.45 N ATOM 0 H HIS A 85 -3.131 -9.143 33.910 1.00 74.31 H new ATOM 0 HA HIS A 85 -2.489 -7.655 31.603 1.00 70.15 H new ATOM 0 HB2 HIS A 85 -4.056 -6.303 32.476 1.00 62.22 H new ATOM 0 HB3 HIS A 85 -4.207 -7.453 33.790 1.00 62.22 H new ATOM 0 HD1 HIS A 85 -2.466 -6.984 35.895 1.00 20.12 H new ATOM 0 HD2 HIS A 85 -3.283 -3.812 33.284 1.00 41.31 H new ATOM 0 HE1 HIS A 85 -1.814 -4.855 37.124 1.00 23.23 H new ATOM 1174 N CYS A 86 -0.410 -7.416 34.096 1.00 21.45 N ATOM 1175 CA CYS A 86 0.881 -6.880 34.515 1.00 75.14 C ATOM 1176 C CYS A 86 1.998 -7.379 33.604 1.00 74.20 C ATOM 1177 O CYS A 86 2.977 -6.674 33.363 1.00 25.12 O ATOM 1178 CB CYS A 86 1.174 -7.272 35.964 1.00 72.04 C ATOM 1179 SG CYS A 86 0.830 -5.966 37.166 1.00 50.24 S ATOM 0 H CYS A 86 -0.782 -8.144 34.706 1.00 21.45 H new ATOM 0 HA CYS A 86 0.836 -5.793 34.443 1.00 75.14 H new ATOM 0 HB2 CYS A 86 0.581 -8.151 36.218 1.00 72.04 H new ATOM 0 HB3 CYS A 86 2.222 -7.560 36.046 1.00 72.04 H new ATOM 0 HG CYS A 86 1.107 -6.393 38.362 1.00 50.24 H new ATOM 1185 N SER A 87 1.844 -8.600 33.102 1.00 74.22 N ATOM 1186 CA SER A 87 2.842 -9.196 32.222 1.00 60.31 C ATOM 1187 C SER A 87 2.718 -8.642 30.806 1.00 63.32 C ATOM 1188 O SER A 87 3.682 -8.648 30.039 1.00 72.53 O ATOM 1189 CB SER A 87 2.691 -10.719 32.201 1.00 15.42 C ATOM 1190 OG SER A 87 2.827 -11.262 33.503 1.00 62.44 O ATOM 0 H SER A 87 1.038 -9.196 33.290 1.00 74.22 H new ATOM 0 HA SER A 87 3.829 -8.941 32.608 1.00 60.31 H new ATOM 0 HB2 SER A 87 1.716 -10.986 31.792 1.00 15.42 H new ATOM 0 HB3 SER A 87 3.443 -11.153 31.542 1.00 15.42 H new ATOM 0 HG SER A 87 2.067 -10.982 34.055 1.00 62.44 H new ATOM 1196 N CYS A 88 1.526 -8.164 30.467 1.00 63.23 N ATOM 1197 CA CYS A 88 1.275 -7.607 29.142 1.00 14.35 C ATOM 1198 C CYS A 88 1.748 -6.159 29.063 1.00 13.12 C ATOM 1199 O CYS A 88 2.320 -5.737 28.059 1.00 74.45 O ATOM 1200 CB CYS A 88 -0.215 -7.688 28.807 1.00 72.22 C ATOM 1201 SG CYS A 88 -0.916 -9.348 28.957 1.00 61.33 S ATOM 0 H CYS A 88 0.719 -8.151 31.090 1.00 63.23 H new ATOM 0 HA CYS A 88 1.836 -8.194 28.415 1.00 14.35 H new ATOM 0 HB2 CYS A 88 -0.762 -7.013 29.466 1.00 72.22 H new ATOM 0 HB3 CYS A 88 -0.367 -7.332 27.788 1.00 72.22 H new ATOM 0 HG CYS A 88 -1.245 -9.570 30.195 1.00 61.33 H new ATOM 1349 N THR A 99 5.494 1.390 18.407 1.00 2.01 N ATOM 1350 CA THR A 99 4.074 1.298 18.095 1.00 14.30 C ATOM 1351 C THR A 99 3.342 2.578 18.482 1.00 12.14 C ATOM 1352 O THR A 99 2.740 3.241 17.637 1.00 1.41 O ATOM 1353 CB THR A 99 3.416 0.106 18.816 1.00 50.25 C ATOM 1354 OG1 THR A 99 3.210 0.422 20.197 1.00 61.30 O ATOM 1355 CG2 THR A 99 4.280 -1.141 18.698 1.00 12.52 C ATOM 0 HA THR A 99 3.996 1.149 17.018 1.00 14.30 H new ATOM 0 HB THR A 99 2.454 -0.092 18.342 1.00 50.25 H new ATOM 0 HG1 THR A 99 2.790 -0.340 20.648 1.00 61.30 H new ATOM 0 HG21 THR A 99 3.795 -1.970 19.214 1.00 12.52 H new ATOM 0 HG22 THR A 99 4.410 -1.395 17.646 1.00 12.52 H new ATOM 0 HG23 THR A 99 5.254 -0.953 19.149 1.00 12.52 H new ATOM 1363 N HIS A 100 3.397 2.921 19.766 1.00 63.14 N ATOM 1364 CA HIS A 100 2.740 4.124 20.265 1.00 61.43 C ATOM 1365 C HIS A 100 2.564 4.058 21.779 1.00 61.22 C ATOM 1366 O HIS A 100 2.416 2.978 22.350 1.00 3.53 O ATOM 1367 CB HIS A 100 1.381 4.305 19.589 1.00 53.20 C ATOM 1368 CG HIS A 100 0.494 5.292 20.283 1.00 12.43 C ATOM 1369 ND1 HIS A 100 -0.060 5.063 21.525 1.00 53.10 N ATOM 1370 CD2 HIS A 100 0.067 6.519 19.903 1.00 1.43 C ATOM 1371 CE1 HIS A 100 -0.791 6.106 21.878 1.00 61.41 C ATOM 1372 NE2 HIS A 100 -0.730 7.004 20.911 1.00 21.33 N ATOM 0 H HIS A 100 3.890 2.383 20.479 1.00 63.14 H new ATOM 0 HA HIS A 100 3.372 4.979 20.028 1.00 61.43 H new ATOM 0 HB2 HIS A 100 1.537 4.629 18.560 1.00 53.20 H new ATOM 0 HB3 HIS A 100 0.874 3.341 19.546 1.00 53.20 H new ATOM 0 HD1 HIS A 100 0.074 4.220 22.084 1.00 53.10 H new ATOM 0 HD2 HIS A 100 0.308 7.023 18.979 1.00 1.43 H new ATOM 0 HE1 HIS A 100 -1.344 6.207 22.800 1.00 61.41 H new ATOM 1380 N GLY A 101 2.582 5.221 22.423 1.00 31.11 N ATOM 1381 CA GLY A 101 2.424 5.273 23.865 1.00 62.32 C ATOM 1382 C GLY A 101 2.437 6.691 24.399 1.00 43.32 C ATOM 1383 O GLY A 101 1.890 7.600 23.776 1.00 52.31 O ATOM 0 H GLY A 101 2.703 6.128 21.972 1.00 31.11 H new ATOM 0 HA2 GLY A 101 1.486 4.792 24.142 1.00 62.32 H new ATOM 0 HA3 GLY A 101 3.225 4.703 24.336 1.00 62.32 H new ATOM 1387 N GLU A 102 3.063 6.881 25.557 1.00 73.45 N ATOM 1388 CA GLU A 102 3.142 8.199 26.175 1.00 73.13 C ATOM 1389 C GLU A 102 4.522 8.433 26.783 1.00 72.15 C ATOM 1390 O GLU A 102 5.189 7.493 27.217 1.00 41.44 O ATOM 1391 CB GLU A 102 2.066 8.346 27.253 1.00 51.53 C ATOM 1392 CG GLU A 102 2.280 7.441 28.454 1.00 75.21 C ATOM 1393 CD GLU A 102 2.628 8.213 29.712 1.00 75.41 C ATOM 1394 OE1 GLU A 102 3.593 9.005 29.673 1.00 34.54 O ATOM 1395 OE2 GLU A 102 1.936 8.025 30.734 1.00 32.13 O ATOM 0 H GLU A 102 3.522 6.139 26.085 1.00 73.45 H new ATOM 0 HA GLU A 102 2.974 8.947 25.400 1.00 73.13 H new ATOM 0 HB2 GLU A 102 2.040 9.382 27.590 1.00 51.53 H new ATOM 0 HB3 GLU A 102 1.092 8.129 26.814 1.00 51.53 H new ATOM 0 HG2 GLU A 102 1.377 6.856 28.629 1.00 75.21 H new ATOM 0 HG3 GLU A 102 3.080 6.734 28.233 1.00 75.21 H new ATOM 1402 N CYS A 103 4.944 9.693 26.810 1.00 72.44 N ATOM 1403 CA CYS A 103 6.244 10.052 27.362 1.00 10.25 C ATOM 1404 C CYS A 103 6.473 11.559 27.278 1.00 30.45 C ATOM 1405 O CYS A 103 5.901 12.239 26.426 1.00 64.24 O ATOM 1406 CB CYS A 103 7.359 9.314 26.620 1.00 63.40 C ATOM 1407 SG CYS A 103 9.038 9.864 27.063 1.00 65.13 S ATOM 0 H CYS A 103 4.404 10.482 26.456 1.00 72.44 H new ATOM 0 HA CYS A 103 6.259 9.757 28.411 1.00 10.25 H new ATOM 0 HB2 CYS A 103 7.272 8.247 26.824 1.00 63.40 H new ATOM 0 HB3 CYS A 103 7.216 9.446 25.547 1.00 63.40 H new ATOM 1412 N THR A 104 7.314 12.075 28.170 1.00 72.52 N ATOM 1413 CA THR A 104 7.618 13.499 28.198 1.00 43.52 C ATOM 1414 C THR A 104 8.871 13.810 27.387 1.00 24.02 C ATOM 1415 O THR A 104 9.618 12.907 27.008 1.00 2.34 O ATOM 1416 CB THR A 104 7.816 14.004 29.640 1.00 75.51 C ATOM 1417 OG1 THR A 104 7.072 13.186 30.551 1.00 64.24 O ATOM 1418 CG2 THR A 104 7.371 15.452 29.772 1.00 14.24 C ATOM 0 H THR A 104 7.796 11.527 28.882 1.00 72.52 H new ATOM 0 HA THR A 104 6.764 14.012 27.755 1.00 43.52 H new ATOM 0 HB THR A 104 8.877 13.944 29.881 1.00 75.51 H new ATOM 0 HG1 THR A 104 7.204 13.512 31.466 1.00 64.24 H new ATOM 0 HG21 THR A 104 7.520 15.786 30.799 1.00 14.24 H new ATOM 0 HG22 THR A 104 7.958 16.076 29.098 1.00 14.24 H new ATOM 0 HG23 THR A 104 6.315 15.533 29.514 1.00 14.24 H new ATOM 1426 N LYS A 105 9.098 15.093 27.124 1.00 35.42 N ATOM 1427 CA LYS A 105 10.262 15.524 26.360 1.00 71.31 C ATOM 1428 C LYS A 105 11.485 14.682 26.710 1.00 73.31 C ATOM 1429 O LYS A 105 11.623 14.207 27.838 1.00 52.44 O ATOM 1430 CB LYS A 105 10.554 17.002 26.627 1.00 41.02 C ATOM 1431 CG LYS A 105 9.349 17.905 26.431 1.00 51.34 C ATOM 1432 CD LYS A 105 9.757 19.274 25.912 1.00 15.35 C ATOM 1433 CE LYS A 105 9.991 20.254 27.052 1.00 50.32 C ATOM 1434 NZ LYS A 105 11.377 20.161 27.587 1.00 23.25 N ATOM 0 H LYS A 105 8.490 15.853 27.429 1.00 35.42 H new ATOM 0 HA LYS A 105 10.041 15.389 25.301 1.00 71.31 H new ATOM 0 HB2 LYS A 105 10.918 17.113 27.648 1.00 41.02 H new ATOM 0 HB3 LYS A 105 11.355 17.331 25.965 1.00 41.02 H new ATOM 0 HG2 LYS A 105 8.655 17.441 25.730 1.00 51.34 H new ATOM 0 HG3 LYS A 105 8.819 18.017 27.377 1.00 51.34 H new ATOM 0 HD2 LYS A 105 10.665 19.183 25.317 1.00 15.35 H new ATOM 0 HD3 LYS A 105 8.981 19.660 25.252 1.00 15.35 H new ATOM 0 HE2 LYS A 105 9.804 21.269 26.702 1.00 50.32 H new ATOM 0 HE3 LYS A 105 9.278 20.056 27.853 1.00 50.32 H new ATOM 0 HZ1 LYS A 105 11.497 20.844 28.362 1.00 23.25 H new ATOM 0 HZ2 LYS A 105 11.547 19.199 27.944 1.00 23.25 H new ATOM 0 HZ3 LYS A 105 12.057 20.374 26.829 1.00 23.25 H new ATOM 1448 N LYS A 106 12.371 14.501 25.737 1.00 60.33 N ATOM 1449 CA LYS A 106 13.584 13.718 25.942 1.00 43.42 C ATOM 1450 C LYS A 106 13.500 12.912 27.234 1.00 73.03 C ATOM 1451 O LYS A 106 14.454 12.863 28.009 1.00 12.25 O ATOM 1452 CB LYS A 106 14.808 14.637 25.981 1.00 54.13 C ATOM 1453 CG LYS A 106 16.029 14.054 25.291 1.00 74.31 C ATOM 1454 CD LYS A 106 16.994 13.440 26.291 1.00 31.11 C ATOM 1455 CE LYS A 106 18.398 13.332 25.716 1.00 30.23 C ATOM 1456 NZ LYS A 106 18.756 11.924 25.388 1.00 50.11 N ATOM 0 H LYS A 106 12.272 14.886 24.798 1.00 60.33 H new ATOM 0 HA LYS A 106 13.684 13.024 25.107 1.00 43.42 H new ATOM 0 HB2 LYS A 106 14.554 15.587 25.510 1.00 54.13 H new ATOM 0 HB3 LYS A 106 15.057 14.853 27.020 1.00 54.13 H new ATOM 0 HG2 LYS A 106 15.715 13.296 24.574 1.00 74.31 H new ATOM 0 HG3 LYS A 106 16.537 14.836 24.726 1.00 74.31 H new ATOM 0 HD2 LYS A 106 17.016 14.046 27.196 1.00 31.11 H new ATOM 0 HD3 LYS A 106 16.640 12.450 26.579 1.00 31.11 H new ATOM 0 HE2 LYS A 106 18.470 13.944 24.817 1.00 30.23 H new ATOM 0 HE3 LYS A 106 19.116 13.732 26.432 1.00 30.23 H new ATOM 0 HZ1 LYS A 106 19.720 11.893 24.999 1.00 50.11 H new ATOM 0 HZ2 LYS A 106 18.712 11.345 26.251 1.00 50.11 H new ATOM 0 HZ3 LYS A 106 18.087 11.550 24.685 1.00 50.11 H new ATOM 1470 N ALA A 107 12.352 12.280 27.457 1.00 23.23 N ATOM 1471 CA ALA A 107 12.145 11.473 28.653 1.00 23.33 C ATOM 1472 C ALA A 107 12.062 9.990 28.307 1.00 20.13 C ATOM 1473 O ALA A 107 11.449 9.592 27.316 1.00 1.43 O ATOM 1474 CB ALA A 107 10.885 11.919 29.379 1.00 32.24 C ATOM 0 H ALA A 107 11.552 12.311 26.825 1.00 23.23 H new ATOM 0 HA ALA A 107 13.001 11.618 29.312 1.00 23.33 H new ATOM 0 HB1 ALA A 107 10.743 11.308 30.270 1.00 32.24 H new ATOM 0 HB2 ALA A 107 10.983 12.965 29.669 1.00 32.24 H new ATOM 0 HB3 ALA A 107 10.025 11.804 28.719 1.00 32.24 H new ATOM 1480 N PRO A 108 12.693 9.150 29.142 1.00 41.43 N ATOM 1481 CA PRO A 108 12.705 7.698 28.944 1.00 32.11 C ATOM 1482 C PRO A 108 11.337 7.069 29.188 1.00 24.32 C ATOM 1483 O PRO A 108 11.107 6.443 30.223 1.00 34.41 O ATOM 1484 CB PRO A 108 13.713 7.206 29.985 1.00 3.44 C ATOM 1485 CG PRO A 108 13.701 8.251 31.047 1.00 3.31 C ATOM 1486 CD PRO A 108 13.443 9.555 30.343 1.00 64.54 C ATOM 0 HA PRO A 108 12.964 7.428 27.920 1.00 32.11 H new ATOM 0 HB2 PRO A 108 13.427 6.233 30.384 1.00 3.44 H new ATOM 0 HB3 PRO A 108 14.707 7.093 29.552 1.00 3.44 H new ATOM 0 HG2 PRO A 108 12.927 8.047 31.786 1.00 3.31 H new ATOM 0 HG3 PRO A 108 14.652 8.277 31.580 1.00 3.31 H new ATOM 0 HD2 PRO A 108 12.867 10.240 30.965 1.00 64.54 H new ATOM 0 HD3 PRO A 108 14.372 10.063 30.085 1.00 64.54 H new ATOM 1494 N CYS A 109 10.433 7.238 28.229 1.00 4.22 N ATOM 1495 CA CYS A 109 9.088 6.687 28.339 1.00 3.14 C ATOM 1496 C CYS A 109 8.495 6.419 26.959 1.00 5.01 C ATOM 1497 O CYS A 109 8.815 7.108 25.991 1.00 41.44 O ATOM 1498 CB CYS A 109 8.184 7.645 29.118 1.00 42.14 C ATOM 1499 SG CYS A 109 8.867 9.323 29.307 1.00 41.33 S ATOM 0 H CYS A 109 10.608 7.753 27.366 1.00 4.22 H new ATOM 0 HA CYS A 109 9.153 5.741 28.877 1.00 3.14 H new ATOM 0 HB2 CYS A 109 7.221 7.711 28.612 1.00 42.14 H new ATOM 0 HB3 CYS A 109 7.996 7.227 30.107 1.00 42.14 H new ATOM 1504 N TRP A 110 7.631 5.414 26.878 1.00 41.11 N ATOM 1505 CA TRP A 110 6.993 5.055 25.616 1.00 22.14 C ATOM 1506 C TRP A 110 6.170 3.781 25.766 1.00 33.53 C ATOM 1507 O TRP A 110 6.712 2.675 25.758 1.00 44.51 O ATOM 1508 CB TRP A 110 8.047 4.870 24.523 1.00 54.51 C ATOM 1509 CG TRP A 110 7.458 4.676 23.158 1.00 24.22 C ATOM 1510 CD1 TRP A 110 6.316 3.994 22.848 1.00 45.25 C ATOM 1511 CD2 TRP A 110 7.984 5.167 21.920 1.00 23.24 C ATOM 1512 NE1 TRP A 110 6.101 4.032 21.491 1.00 32.20 N ATOM 1513 CE2 TRP A 110 7.109 4.746 20.900 1.00 63.22 C ATOM 1514 CE3 TRP A 110 9.108 5.923 21.575 1.00 73.41 C ATOM 1515 CZ2 TRP A 110 7.326 5.055 19.560 1.00 55.33 C ATOM 1516 CZ3 TRP A 110 9.321 6.229 20.244 1.00 21.33 C ATOM 1517 CH2 TRP A 110 8.433 5.796 19.250 1.00 44.50 C ATOM 0 H TRP A 110 7.356 4.833 27.670 1.00 41.11 H new ATOM 0 HA TRP A 110 6.323 5.867 25.332 1.00 22.14 H new ATOM 0 HB2 TRP A 110 8.702 5.741 24.508 1.00 54.51 H new ATOM 0 HB3 TRP A 110 8.668 4.009 24.769 1.00 54.51 H new ATOM 0 HD1 TRP A 110 5.677 3.498 23.563 1.00 45.25 H new ATOM 0 HE1 TRP A 110 5.317 3.598 21.003 1.00 32.20 H new ATOM 0 HE3 TRP A 110 9.797 6.262 22.334 1.00 73.41 H new ATOM 0 HZ2 TRP A 110 6.644 4.721 18.792 1.00 55.33 H new ATOM 0 HZ3 TRP A 110 10.187 6.812 19.965 1.00 21.33 H new ATOM 0 HH2 TRP A 110 8.627 6.052 18.219 1.00 44.50 H new ATOM 1528 N ARG A 111 4.858 3.942 25.903 1.00 34.51 N ATOM 1529 CA ARG A 111 3.960 2.803 26.056 1.00 70.12 C ATOM 1530 C ARG A 111 2.507 3.263 26.133 1.00 60.40 C ATOM 1531 O ARG A 111 2.168 4.152 26.915 1.00 74.32 O ATOM 1532 CB ARG A 111 4.321 2.006 27.311 1.00 43.22 C ATOM 1533 CG ARG A 111 3.214 1.078 27.783 1.00 61.03 C ATOM 1534 CD ARG A 111 2.923 -0.008 26.759 1.00 63.03 C ATOM 1535 NE ARG A 111 1.492 -0.153 26.506 1.00 23.11 N ATOM 1536 CZ ARG A 111 0.993 -0.802 25.460 1.00 33.23 C ATOM 1537 NH1 ARG A 111 1.804 -1.363 24.575 1.00 63.52 N ATOM 1538 NH2 ARG A 111 -0.321 -0.891 25.299 1.00 34.30 N ATOM 0 H ARG A 111 4.393 4.850 25.911 1.00 34.51 H new ATOM 0 HA ARG A 111 4.075 2.162 25.182 1.00 70.12 H new ATOM 0 HB2 ARG A 111 5.217 1.417 27.112 1.00 43.22 H new ATOM 0 HB3 ARG A 111 4.568 2.701 28.114 1.00 43.22 H new ATOM 0 HG2 ARG A 111 3.501 0.620 28.729 1.00 61.03 H new ATOM 0 HG3 ARG A 111 2.309 1.655 27.970 1.00 61.03 H new ATOM 0 HD2 ARG A 111 3.434 0.228 25.826 1.00 63.03 H new ATOM 0 HD3 ARG A 111 3.327 -0.957 27.112 1.00 63.03 H new ATOM 0 HE ARG A 111 0.840 0.267 27.169 1.00 23.11 H new ATOM 0 HH11 ARG A 111 2.815 -1.297 24.696 1.00 63.52 H new ATOM 0 HH12 ARG A 111 1.418 -1.861 23.773 1.00 63.52 H new ATOM 0 HH21 ARG A 111 -0.948 -0.461 25.979 1.00 34.30 H new ATOM 0 HH22 ARG A 111 -0.704 -1.389 24.496 1.00 34.30 H new ATOM 1552 N CYS A 112 1.655 2.652 25.317 1.00 12.03 N ATOM 1553 CA CYS A 112 0.238 2.999 25.292 1.00 4.40 C ATOM 1554 C CYS A 112 -0.435 2.632 26.610 1.00 33.40 C ATOM 1555 O CYS A 112 -0.672 1.457 26.890 1.00 70.01 O ATOM 1556 CB CYS A 112 -0.461 2.290 24.132 1.00 35.31 C ATOM 1557 SG CYS A 112 -2.244 2.088 24.358 1.00 51.34 S ATOM 0 H CYS A 112 1.920 1.914 24.664 1.00 12.03 H new ATOM 0 HA CYS A 112 0.155 4.077 25.152 1.00 4.40 H new ATOM 0 HB2 CYS A 112 -0.283 2.853 23.216 1.00 35.31 H new ATOM 0 HB3 CYS A 112 -0.009 1.308 23.995 1.00 35.31 H new ATOM 0 HG CYS A 112 -2.861 3.134 23.894 1.00 51.34 H new ATOM 1563 N GLU A 113 -0.740 3.644 27.416 1.00 44.00 N ATOM 1564 CA GLU A 113 -1.384 3.426 28.706 1.00 63.31 C ATOM 1565 C GLU A 113 -2.480 4.460 28.949 1.00 64.53 C ATOM 1566 O GLU A 113 -2.203 5.649 29.103 1.00 4.21 O ATOM 1567 CB GLU A 113 -0.351 3.487 29.833 1.00 31.44 C ATOM 1568 CG GLU A 113 0.601 4.666 29.724 1.00 61.33 C ATOM 1569 CD GLU A 113 1.102 5.139 31.075 1.00 61.55 C ATOM 1570 OE1 GLU A 113 0.286 5.669 31.857 1.00 53.02 O ATOM 1571 OE2 GLU A 113 2.310 4.979 31.349 1.00 35.43 O ATOM 0 H GLU A 113 -0.552 4.623 27.199 1.00 44.00 H new ATOM 0 HA GLU A 113 -1.839 2.436 28.693 1.00 63.31 H new ATOM 0 HB2 GLU A 113 -0.872 3.539 30.789 1.00 31.44 H new ATOM 0 HB3 GLU A 113 0.227 2.563 29.835 1.00 31.44 H new ATOM 0 HG2 GLU A 113 1.452 4.385 29.103 1.00 61.33 H new ATOM 0 HG3 GLU A 113 0.097 5.490 29.219 1.00 61.33 H new ATOM 1721 N CYS A 123 -4.658 2.262 21.246 1.00 11.41 N ATOM 1722 CA CYS A 123 -3.319 2.698 20.865 1.00 12.35 C ATOM 1723 C CYS A 123 -2.292 1.607 21.146 1.00 63.53 C ATOM 1724 O CYS A 123 -2.647 0.458 21.405 1.00 22.43 O ATOM 1725 CB CYS A 123 -2.943 3.975 21.618 1.00 3.23 C ATOM 1726 SG CYS A 123 -4.251 4.612 22.692 1.00 24.33 S ATOM 0 HA CYS A 123 -3.321 2.903 19.794 1.00 12.35 H new ATOM 0 HB2 CYS A 123 -2.056 3.781 22.220 1.00 3.23 H new ATOM 0 HB3 CYS A 123 -2.675 4.745 20.894 1.00 3.23 H new ATOM 0 HG CYS A 123 -5.305 3.858 22.586 1.00 24.33 H new ATOM 1732 N GLY A 124 -1.015 1.974 21.090 1.00 60.22 N ATOM 1733 CA GLY A 124 0.045 1.014 21.338 1.00 74.20 C ATOM 1734 C GLY A 124 0.157 -0.023 20.238 1.00 45.44 C ATOM 1735 O GLY A 124 0.432 0.314 19.085 1.00 73.51 O ATOM 0 H GLY A 124 -0.696 2.919 20.877 1.00 60.22 H new ATOM 0 HA2 GLY A 124 0.994 1.542 21.434 1.00 74.20 H new ATOM 0 HA3 GLY A 124 -0.138 0.513 22.288 1.00 74.20 H new ATOM 1739 N CYS A 125 -0.052 -1.285 20.593 1.00 75.23 N ATOM 1740 CA CYS A 125 0.030 -2.375 19.627 1.00 54.14 C ATOM 1741 C CYS A 125 -1.193 -2.386 18.715 1.00 61.43 C ATOM 1742 O CYS A 125 -1.289 -3.205 17.801 1.00 34.12 O ATOM 1743 CB CYS A 125 0.154 -3.717 20.350 1.00 43.24 C ATOM 1744 SG CYS A 125 -0.684 -5.085 19.516 1.00 63.10 S ATOM 0 H CYS A 125 -0.280 -1.579 21.543 1.00 75.23 H new ATOM 0 HA CYS A 125 0.917 -2.218 19.013 1.00 54.14 H new ATOM 0 HB2 CYS A 125 1.210 -3.963 20.457 1.00 43.24 H new ATOM 0 HB3 CYS A 125 -0.253 -3.615 21.356 1.00 43.24 H new ATOM 0 HG CYS A 125 -1.249 -4.650 18.429 1.00 63.10 H new ATOM 1750 N GLU A 126 -2.125 -1.473 18.971 1.00 65.31 N ATOM 1751 CA GLU A 126 -3.342 -1.381 18.174 1.00 11.10 C ATOM 1752 C GLU A 126 -3.013 -1.279 16.687 1.00 30.24 C ATOM 1753 O GLU A 126 -3.697 -1.866 15.848 1.00 62.21 O ATOM 1754 CB GLU A 126 -4.171 -0.170 18.608 1.00 75.51 C ATOM 1755 CG GLU A 126 -4.895 0.515 17.461 1.00 62.43 C ATOM 1756 CD GLU A 126 -5.859 -0.410 16.744 1.00 71.33 C ATOM 1757 OE1 GLU A 126 -5.968 -1.585 17.153 1.00 71.42 O ATOM 1758 OE2 GLU A 126 -6.504 0.040 15.774 1.00 11.11 O ATOM 0 H GLU A 126 -2.060 -0.787 19.723 1.00 65.31 H new ATOM 0 HA GLU A 126 -3.923 -2.289 18.338 1.00 11.10 H new ATOM 0 HB2 GLU A 126 -4.903 -0.489 19.350 1.00 75.51 H new ATOM 0 HB3 GLU A 126 -3.516 0.552 19.096 1.00 75.51 H new ATOM 0 HG2 GLU A 126 -5.441 1.377 17.844 1.00 62.43 H new ATOM 0 HG3 GLU A 126 -4.162 0.893 16.748 1.00 62.43 H new ATOM 1765 N CYS A 127 -1.963 -0.530 16.370 1.00 23.51 N ATOM 1766 CA CYS A 127 -1.543 -0.350 14.985 1.00 42.01 C ATOM 1767 C CYS A 127 -0.367 0.617 14.895 1.00 62.01 C ATOM 1768 O CYS A 127 0.011 1.244 15.884 1.00 1.42 O ATOM 1769 CB CYS A 127 -2.709 0.166 14.140 1.00 64.31 C ATOM 1770 SG CYS A 127 -3.107 1.908 14.416 1.00 22.42 S ATOM 0 H CYS A 127 -1.387 -0.038 17.053 1.00 23.51 H new ATOM 0 HA CYS A 127 -1.224 -1.318 14.599 1.00 42.01 H new ATOM 0 HB2 CYS A 127 -2.472 0.021 13.086 1.00 64.31 H new ATOM 0 HB3 CYS A 127 -3.592 -0.436 14.353 1.00 64.31 H new ATOM 0 HG CYS A 127 -2.200 2.654 13.859 1.00 22.42 H new ATOM 1776 N SER A 128 0.209 0.731 13.702 1.00 30.13 N ATOM 1777 CA SER A 128 1.346 1.617 13.484 1.00 1.30 C ATOM 1778 C SER A 128 0.897 2.933 12.856 1.00 14.12 C ATOM 1779 O SER A 128 -0.288 3.134 12.588 1.00 51.30 O ATOM 1780 CB SER A 128 2.383 0.939 12.587 1.00 44.31 C ATOM 1781 OG SER A 128 2.366 1.490 11.281 1.00 23.13 O ATOM 0 H SER A 128 -0.093 0.221 12.872 1.00 30.13 H new ATOM 0 HA SER A 128 1.798 1.832 14.452 1.00 1.30 H new ATOM 0 HB2 SER A 128 3.376 1.056 13.021 1.00 44.31 H new ATOM 0 HB3 SER A 128 2.181 -0.131 12.536 1.00 44.31 H new ATOM 0 HG SER A 128 3.039 1.041 10.728 1.00 23.13 H new ATOM 1787 N LYS A 129 1.852 3.827 12.624 1.00 14.44 N ATOM 1788 CA LYS A 129 1.557 5.125 12.027 1.00 22.51 C ATOM 1789 C LYS A 129 2.297 5.295 10.704 1.00 22.02 C ATOM 1790 O LYS A 129 1.739 5.053 9.633 1.00 11.12 O ATOM 1791 CB LYS A 129 1.943 6.251 12.988 1.00 0.04 C ATOM 1792 CG LYS A 129 0.918 6.494 14.083 1.00 45.30 C ATOM 1793 CD LYS A 129 -0.416 6.939 13.509 1.00 72.03 C ATOM 1794 CE LYS A 129 -0.269 8.198 12.668 1.00 74.01 C ATOM 1795 NZ LYS A 129 -1.485 9.055 12.736 1.00 12.21 N ATOM 0 H LYS A 129 2.837 3.677 12.840 1.00 14.44 H new ATOM 0 HA LYS A 129 0.485 5.173 11.833 1.00 22.51 H new ATOM 0 HB2 LYS A 129 2.903 6.013 13.447 1.00 0.04 H new ATOM 0 HB3 LYS A 129 2.081 7.171 12.420 1.00 0.04 H new ATOM 0 HG2 LYS A 129 0.780 5.581 14.662 1.00 45.30 H new ATOM 0 HG3 LYS A 129 1.291 7.254 14.770 1.00 45.30 H new ATOM 0 HD2 LYS A 129 -0.835 6.139 12.899 1.00 72.03 H new ATOM 0 HD3 LYS A 129 -1.120 7.123 14.321 1.00 72.03 H new ATOM 0 HE2 LYS A 129 0.595 8.766 13.012 1.00 74.01 H new ATOM 0 HE3 LYS A 129 -0.077 7.922 11.631 1.00 74.01 H new ATOM 0 HZ1 LYS A 129 -1.246 10.021 12.434 1.00 12.21 H new ATOM 0 HZ2 LYS A 129 -2.218 8.668 12.108 1.00 12.21 H new ATOM 0 HZ3 LYS A 129 -1.841 9.076 13.713 1.00 12.21 H new ATOM 1809 N LEU A 130 3.556 5.711 10.785 1.00 1.13 N ATOM 1810 CA LEU A 130 4.374 5.912 9.594 1.00 53.30 C ATOM 1811 C LEU A 130 5.838 5.594 9.878 1.00 1.44 C ATOM 1812 O LEU A 130 6.284 5.581 11.026 1.00 44.22 O ATOM 1813 CB LEU A 130 4.240 7.353 9.097 1.00 71.31 C ATOM 1814 CG LEU A 130 3.129 7.611 8.079 1.00 73.13 C ATOM 1815 CD1 LEU A 130 1.809 7.877 8.785 1.00 35.03 C ATOM 1816 CD2 LEU A 130 3.496 8.778 7.173 1.00 34.42 C ATOM 0 H LEU A 130 4.033 5.916 11.663 1.00 1.13 H new ATOM 0 HA LEU A 130 4.018 5.232 8.820 1.00 53.30 H new ATOM 0 HB2 LEU A 130 4.073 7.999 9.959 1.00 71.31 H new ATOM 0 HB3 LEU A 130 5.189 7.653 8.653 1.00 71.31 H new ATOM 0 HG LEU A 130 3.014 6.720 7.462 1.00 73.13 H new ATOM 0 HD11 LEU A 130 1.030 8.058 8.044 1.00 35.03 H new ATOM 0 HD12 LEU A 130 1.539 7.012 9.390 1.00 35.03 H new ATOM 0 HD13 LEU A 130 1.910 8.752 9.427 1.00 35.03 H new ATOM 0 HD21 LEU A 130 2.694 8.947 6.455 1.00 34.42 H new ATOM 0 HD22 LEU A 130 3.639 9.675 7.775 1.00 34.42 H new ATOM 0 HD23 LEU A 130 4.418 8.548 6.639 1.00 34.42 H new ATOM 1828 N PRO A 131 6.606 5.334 8.810 1.00 72.12 N ATOM 1829 CA PRO A 131 8.032 5.014 8.919 1.00 42.11 C ATOM 1830 C PRO A 131 8.865 6.218 9.346 1.00 21.12 C ATOM 1831 O PRO A 131 9.596 6.797 8.542 1.00 13.30 O ATOM 1832 CB PRO A 131 8.408 4.581 7.500 1.00 60.52 C ATOM 1833 CG PRO A 131 7.417 5.261 6.621 1.00 54.34 C ATOM 1834 CD PRO A 131 6.140 5.332 7.413 1.00 64.12 C ATOM 0 HA PRO A 131 8.222 4.253 9.676 1.00 42.11 H new ATOM 0 HB2 PRO A 131 9.427 4.879 7.252 1.00 60.52 H new ATOM 0 HB3 PRO A 131 8.357 3.498 7.390 1.00 60.52 H new ATOM 0 HG2 PRO A 131 7.760 6.258 6.344 1.00 54.34 H new ATOM 0 HG3 PRO A 131 7.271 4.705 5.695 1.00 54.34 H new ATOM 0 HD2 PRO A 131 5.571 6.231 7.178 1.00 64.12 H new ATOM 0 HD3 PRO A 131 5.491 4.481 7.207 1.00 64.12 H new ATOM 1842 N CYS A 132 8.751 6.589 10.617 1.00 51.41 N ATOM 1843 CA CYS A 132 9.493 7.724 11.152 1.00 42.30 C ATOM 1844 C CYS A 132 10.305 7.314 12.377 1.00 2.42 C ATOM 1845 O CYS A 132 9.784 7.262 13.490 1.00 4.35 O ATOM 1846 CB CYS A 132 8.536 8.860 11.518 1.00 54.02 C ATOM 1847 SG CYS A 132 6.834 8.622 10.912 1.00 42.44 S ATOM 0 H CYS A 132 8.151 6.120 11.296 1.00 51.41 H new ATOM 0 HA CYS A 132 10.181 8.072 10.381 1.00 42.30 H new ATOM 0 HB2 CYS A 132 8.513 8.966 12.603 1.00 54.02 H new ATOM 0 HB3 CYS A 132 8.927 9.794 11.115 1.00 54.02 H new ATOM 1852 N ASN A 133 11.584 7.025 12.163 1.00 64.45 N ATOM 1853 CA ASN A 133 12.469 6.619 13.249 1.00 71.02 C ATOM 1854 C ASN A 133 13.737 7.468 13.264 1.00 35.10 C ATOM 1855 O ASN A 133 14.559 7.390 12.351 1.00 11.22 O ATOM 1856 CB ASN A 133 12.834 5.140 13.112 1.00 61.54 C ATOM 1857 CG ASN A 133 12.819 4.672 11.669 1.00 22.31 C ATOM 1858 OD1 ASN A 133 13.860 4.606 11.015 1.00 3.53 O ATOM 1859 ND2 ASN A 133 11.635 4.344 11.166 1.00 71.31 N ATOM 0 H ASN A 133 12.031 7.064 11.247 1.00 64.45 H new ATOM 0 HA ASN A 133 11.941 6.770 14.190 1.00 71.02 H new ATOM 0 HB2 ASN A 133 13.824 4.972 13.535 1.00 61.54 H new ATOM 0 HB3 ASN A 133 12.133 4.540 13.693 1.00 61.54 H new ATOM 0 HD21 ASN A 133 11.562 4.022 10.201 1.00 71.31 H new ATOM 0 HD22 ASN A 133 10.798 4.414 11.745 1.00 71.31 H new ATOM 2085 N ASP A 149 10.912 8.251 15.680 1.00 55.42 N ATOM 2086 CA ASP A 149 10.309 9.579 15.713 1.00 42.14 C ATOM 2087 C ASP A 149 8.886 9.544 15.166 1.00 74.34 C ATOM 2088 O ASP A 149 8.559 10.247 14.209 1.00 60.32 O ATOM 2089 CB ASP A 149 11.154 10.566 14.906 1.00 65.13 C ATOM 2090 CG ASP A 149 11.117 10.279 13.418 1.00 71.44 C ATOM 2091 OD1 ASP A 149 11.907 9.428 12.957 1.00 4.30 O ATOM 2092 OD2 ASP A 149 10.297 10.903 12.714 1.00 55.43 O ATOM 0 HA ASP A 149 10.272 9.908 16.751 1.00 42.14 H new ATOM 0 HB2 ASP A 149 10.795 11.579 15.087 1.00 65.13 H new ATOM 0 HB3 ASP A 149 12.186 10.526 15.255 1.00 65.13 H new ATOM 2097 N CYS A 150 8.042 8.720 15.778 1.00 21.24 N ATOM 2098 CA CYS A 150 6.654 8.591 15.353 1.00 73.40 C ATOM 2099 C CYS A 150 5.846 7.788 16.369 1.00 12.41 C ATOM 2100 O CYS A 150 6.289 7.566 17.496 1.00 43.40 O ATOM 2101 CB CYS A 150 6.579 7.918 13.981 1.00 44.33 C ATOM 2102 SG CYS A 150 5.737 8.914 12.709 1.00 10.43 S ATOM 0 H CYS A 150 8.296 8.131 16.571 1.00 21.24 H new ATOM 0 HA CYS A 150 6.227 9.592 15.284 1.00 73.40 H new ATOM 0 HB2 CYS A 150 7.591 7.695 13.642 1.00 44.33 H new ATOM 0 HB3 CYS A 150 6.060 6.965 14.084 1.00 44.33 H new ATOM 2107 N LYS A 151 4.657 7.356 15.962 1.00 23.44 N ATOM 2108 CA LYS A 151 3.787 6.577 16.835 1.00 74.42 C ATOM 2109 C LYS A 151 3.120 7.470 17.876 1.00 22.45 C ATOM 2110 O LYS A 151 1.908 7.683 17.843 1.00 52.12 O ATOM 2111 CB LYS A 151 4.584 5.471 17.530 1.00 2.24 C ATOM 2112 CG LYS A 151 5.334 4.565 16.569 1.00 12.11 C ATOM 2113 CD LYS A 151 4.487 4.216 15.357 1.00 41.24 C ATOM 2114 CE LYS A 151 4.923 2.899 14.733 1.00 53.10 C ATOM 2115 NZ LYS A 151 6.398 2.840 14.536 1.00 74.31 N ATOM 0 H LYS A 151 4.274 7.532 15.033 1.00 23.44 H new ATOM 0 HA LYS A 151 3.010 6.123 16.220 1.00 74.42 H new ATOM 0 HB2 LYS A 151 5.297 5.926 18.218 1.00 2.24 H new ATOM 0 HB3 LYS A 151 3.903 4.866 18.130 1.00 2.24 H new ATOM 0 HG2 LYS A 151 6.251 5.057 16.244 1.00 12.11 H new ATOM 0 HG3 LYS A 151 5.628 3.651 17.084 1.00 12.11 H new ATOM 0 HD2 LYS A 151 3.439 4.152 15.650 1.00 41.24 H new ATOM 0 HD3 LYS A 151 4.563 5.013 14.617 1.00 41.24 H new ATOM 0 HE2 LYS A 151 4.609 2.073 15.371 1.00 53.10 H new ATOM 0 HE3 LYS A 151 4.423 2.769 13.773 1.00 53.10 H new ATOM 0 HZ1 LYS A 151 6.630 2.069 13.877 1.00 74.31 H new ATOM 0 HZ2 LYS A 151 6.732 3.743 14.144 1.00 74.31 H new ATOM 0 HZ3 LYS A 151 6.864 2.666 15.450 1.00 74.31 H new ATOM 2129 N THR A 152 3.920 7.991 18.801 1.00 2.14 N ATOM 2130 CA THR A 152 3.408 8.861 19.852 1.00 1.24 C ATOM 2131 C THR A 152 2.957 10.202 19.285 1.00 74.03 C ATOM 2132 O THR A 152 1.833 10.334 18.799 1.00 13.13 O ATOM 2133 CB THR A 152 4.468 9.109 20.943 1.00 74.23 C ATOM 2134 OG1 THR A 152 4.927 7.860 21.472 1.00 42.12 O ATOM 2135 CG2 THR A 152 3.899 9.963 22.066 1.00 71.31 C ATOM 0 H THR A 152 4.926 7.825 18.843 1.00 2.14 H new ATOM 0 HA THR A 152 2.553 8.351 20.295 1.00 1.24 H new ATOM 0 HB THR A 152 5.305 9.642 20.492 1.00 74.23 H new ATOM 0 HG1 THR A 152 5.602 8.026 22.163 1.00 42.12 H new ATOM 0 HG21 THR A 152 4.665 10.125 22.824 1.00 71.31 H new ATOM 0 HG22 THR A 152 3.577 10.924 21.665 1.00 71.31 H new ATOM 0 HG23 THR A 152 3.046 9.453 22.515 1.00 71.31 H new ATOM 2143 N ILE A 153 3.839 11.193 19.348 1.00 0.42 N ATOM 2144 CA ILE A 153 3.531 12.524 18.838 1.00 33.44 C ATOM 2145 C ILE A 153 4.751 13.435 18.908 1.00 41.35 C ATOM 2146 O ILE A 153 5.202 13.807 19.991 1.00 3.25 O ATOM 2147 CB ILE A 153 2.374 13.173 19.621 1.00 21.54 C ATOM 2148 CG1 ILE A 153 2.297 14.669 19.313 1.00 2.22 C ATOM 2149 CG2 ILE A 153 2.551 12.942 21.115 1.00 54.12 C ATOM 2150 CD1 ILE A 153 2.218 14.978 17.835 1.00 52.44 C ATOM 0 H ILE A 153 4.773 11.100 19.747 1.00 0.42 H new ATOM 0 HA ILE A 153 3.231 12.402 17.797 1.00 33.44 H new ATOM 0 HB ILE A 153 1.438 12.709 19.310 1.00 21.54 H new ATOM 0 HG12 ILE A 153 1.424 15.090 19.811 1.00 2.22 H new ATOM 0 HG13 ILE A 153 3.173 15.164 19.733 1.00 2.22 H new ATOM 0 HG21 ILE A 153 1.726 13.406 21.655 1.00 54.12 H new ATOM 0 HG22 ILE A 153 2.561 11.871 21.319 1.00 54.12 H new ATOM 0 HG23 ILE A 153 3.493 13.383 21.442 1.00 54.12 H new ATOM 0 HD11 ILE A 153 2.166 16.057 17.691 1.00 52.44 H new ATOM 0 HD12 ILE A 153 3.104 14.587 17.334 1.00 52.44 H new ATOM 0 HD13 ILE A 153 1.327 14.512 17.413 1.00 52.44 H new ATOM 2268 N TYR A 162 8.237 14.075 21.802 1.00 51.13 N ATOM 2269 CA TYR A 162 7.101 13.369 22.381 1.00 34.32 C ATOM 2270 C TYR A 162 6.572 14.103 23.609 1.00 35.15 C ATOM 2271 O TYR A 162 7.137 14.002 24.699 1.00 51.41 O ATOM 2272 CB TYR A 162 7.500 11.941 22.759 1.00 14.21 C ATOM 2273 CG TYR A 162 7.927 11.099 21.578 1.00 1.22 C ATOM 2274 CD1 TYR A 162 7.310 11.239 20.341 1.00 44.11 C ATOM 2275 CD2 TYR A 162 8.947 10.163 21.700 1.00 54.33 C ATOM 2276 CE1 TYR A 162 7.697 10.472 19.259 1.00 30.42 C ATOM 2277 CE2 TYR A 162 9.341 9.393 20.623 1.00 32.42 C ATOM 2278 CZ TYR A 162 8.713 9.550 19.405 1.00 11.23 C ATOM 2279 OH TYR A 162 9.102 8.783 18.331 1.00 54.32 O ATOM 0 HA TYR A 162 6.309 13.332 21.633 1.00 34.32 H new ATOM 0 HB2 TYR A 162 8.316 11.980 23.481 1.00 14.21 H new ATOM 0 HB3 TYR A 162 6.659 11.457 23.255 1.00 14.21 H new ATOM 0 HD1 TYR A 162 6.514 11.960 20.223 1.00 44.11 H new ATOM 0 HD2 TYR A 162 9.440 10.036 22.653 1.00 54.33 H new ATOM 0 HE1 TYR A 162 7.207 10.593 18.304 1.00 30.42 H new ATOM 0 HE2 TYR A 162 10.137 8.672 20.734 1.00 32.42 H new ATOM 0 HH TYR A 162 9.052 7.834 18.571 1.00 54.32 H new ATOM 2289 N HIS A 163 5.482 14.841 23.425 1.00 13.45 N ATOM 2290 CA HIS A 163 4.874 15.593 24.518 1.00 32.51 C ATOM 2291 C HIS A 163 3.567 14.943 24.962 1.00 14.14 C ATOM 2292 O HIS A 163 3.328 14.758 26.156 1.00 44.21 O ATOM 2293 CB HIS A 163 4.619 17.038 24.091 1.00 2.53 C ATOM 2294 CG HIS A 163 3.429 17.198 23.196 1.00 1.11 C ATOM 2295 ND1 HIS A 163 3.438 16.847 21.863 1.00 40.44 N ATOM 2296 CD2 HIS A 163 2.187 17.673 23.451 1.00 62.55 C ATOM 2297 CE1 HIS A 163 2.254 17.101 21.335 1.00 73.00 C ATOM 2298 NE2 HIS A 163 1.476 17.602 22.278 1.00 61.11 N ATOM 0 H HIS A 163 5.002 14.935 22.530 1.00 13.45 H new ATOM 0 HA HIS A 163 5.567 15.588 25.360 1.00 32.51 H new ATOM 0 HB2 HIS A 163 4.479 17.652 24.981 1.00 2.53 H new ATOM 0 HB3 HIS A 163 5.503 17.418 23.578 1.00 2.53 H new ATOM 0 HD2 HIS A 163 1.823 18.039 24.400 1.00 62.55 H new ATOM 0 HE1 HIS A 163 1.970 16.928 20.307 1.00 73.00 H new ATOM 0 HE2 HIS A 163 0.505 17.889 22.155 1.00 61.11 H new ATOM 2306 N SER A 164 2.723 14.600 23.994 1.00 31.14 N ATOM 2307 CA SER A 164 1.438 13.975 24.286 1.00 11.52 C ATOM 2308 C SER A 164 1.451 12.499 23.900 1.00 0.44 C ATOM 2309 O SER A 164 2.505 11.929 23.620 1.00 25.11 O ATOM 2310 CB SER A 164 0.314 14.699 23.541 1.00 5.02 C ATOM 2311 OG SER A 164 0.031 15.952 24.139 1.00 15.10 O ATOM 0 H SER A 164 2.906 14.744 23.001 1.00 31.14 H new ATOM 0 HA SER A 164 1.261 14.050 25.359 1.00 11.52 H new ATOM 0 HB2 SER A 164 0.599 14.846 22.499 1.00 5.02 H new ATOM 0 HB3 SER A 164 -0.584 14.081 23.541 1.00 5.02 H new ATOM 0 HG SER A 164 -0.689 16.396 23.644 1.00 15.10 H new ATOM 2317 N TYR A 165 0.272 11.887 23.889 1.00 43.35 N ATOM 2318 CA TYR A 165 0.147 10.477 23.540 1.00 51.12 C ATOM 2319 C TYR A 165 -1.101 10.233 22.697 1.00 14.14 C ATOM 2320 O TYR A 165 -2.225 10.364 23.182 1.00 60.03 O ATOM 2321 CB TYR A 165 0.097 9.620 24.806 1.00 62.45 C ATOM 2322 CG TYR A 165 -0.854 10.146 25.857 1.00 45.23 C ATOM 2323 CD1 TYR A 165 -2.146 9.647 25.965 1.00 22.02 C ATOM 2324 CD2 TYR A 165 -0.460 11.143 26.741 1.00 53.44 C ATOM 2325 CE1 TYR A 165 -3.018 10.125 26.924 1.00 52.54 C ATOM 2326 CE2 TYR A 165 -1.325 11.627 27.703 1.00 74.21 C ATOM 2327 CZ TYR A 165 -2.603 11.115 27.790 1.00 33.13 C ATOM 2328 OH TYR A 165 -3.469 11.595 28.747 1.00 65.23 O ATOM 0 H TYR A 165 -0.610 12.345 24.118 1.00 43.35 H new ATOM 0 HA TYR A 165 1.021 10.195 22.952 1.00 51.12 H new ATOM 0 HB2 TYR A 165 -0.198 8.606 24.536 1.00 62.45 H new ATOM 0 HB3 TYR A 165 1.098 9.558 25.232 1.00 62.45 H new ATOM 0 HD1 TYR A 165 -2.474 8.872 25.288 1.00 22.02 H new ATOM 0 HD2 TYR A 165 0.540 11.546 26.675 1.00 53.44 H new ATOM 0 HE1 TYR A 165 -4.019 9.726 26.995 1.00 52.54 H new ATOM 0 HE2 TYR A 165 -1.003 12.402 28.383 1.00 74.21 H new ATOM 0 HH TYR A 165 -3.021 12.288 29.276 1.00 65.23 H new ATOM 2338 N GLU A 166 -0.894 9.877 21.433 1.00 11.04 N ATOM 2339 CA GLU A 166 -2.002 9.615 20.523 1.00 74.41 C ATOM 2340 C GLU A 166 -1.494 9.081 19.187 1.00 71.13 C ATOM 2341 O GLU A 166 -0.495 9.563 18.654 1.00 11.12 O ATOM 2342 CB GLU A 166 -2.819 10.889 20.298 1.00 35.31 C ATOM 2343 CG GLU A 166 -4.319 10.679 20.420 1.00 15.21 C ATOM 2344 CD GLU A 166 -4.824 10.886 21.835 1.00 53.51 C ATOM 2345 OE1 GLU A 166 -4.833 9.907 22.610 1.00 12.42 O ATOM 2346 OE2 GLU A 166 -5.210 12.027 22.167 1.00 74.44 O ATOM 0 H GLU A 166 0.030 9.764 21.017 1.00 11.04 H new ATOM 0 HA GLU A 166 -2.641 8.858 20.978 1.00 74.41 H new ATOM 0 HB2 GLU A 166 -2.506 11.643 21.020 1.00 35.31 H new ATOM 0 HB3 GLU A 166 -2.595 11.284 19.307 1.00 35.31 H new ATOM 0 HG2 GLU A 166 -4.834 11.367 19.750 1.00 15.21 H new ATOM 0 HG3 GLU A 166 -4.569 9.670 20.093 1.00 15.21 H new ATOM 2353 N GLU A 167 -2.190 8.082 18.652 1.00 45.12 N ATOM 2354 CA GLU A 167 -1.808 7.482 17.379 1.00 44.01 C ATOM 2355 C GLU A 167 -1.391 8.554 16.376 1.00 63.54 C ATOM 2356 O GLU A 167 -2.172 8.945 15.509 1.00 53.22 O ATOM 2357 CB GLU A 167 -2.965 6.658 16.810 1.00 0.25 C ATOM 2358 CG GLU A 167 -4.306 7.371 16.869 1.00 44.15 C ATOM 2359 CD GLU A 167 -5.406 6.601 16.165 1.00 55.51 C ATOM 2360 OE1 GLU A 167 -5.176 5.425 15.815 1.00 74.13 O ATOM 2361 OE2 GLU A 167 -6.497 7.175 15.964 1.00 12.12 O ATOM 0 H GLU A 167 -3.020 7.672 19.080 1.00 45.12 H new ATOM 0 HA GLU A 167 -0.957 6.825 17.557 1.00 44.01 H new ATOM 0 HB2 GLU A 167 -2.744 6.403 15.774 1.00 0.25 H new ATOM 0 HB3 GLU A 167 -3.037 5.720 17.360 1.00 0.25 H new ATOM 0 HG2 GLU A 167 -4.586 7.526 17.911 1.00 44.15 H new ATOM 0 HG3 GLU A 167 -4.210 8.357 16.415 1.00 44.15 H new ATOM 2368 N ASP A 168 -0.154 9.023 16.501 1.00 55.54 N ATOM 2369 CA ASP A 168 0.368 10.049 15.605 1.00 13.33 C ATOM 2370 C ASP A 168 1.887 9.957 15.501 1.00 51.41 C ATOM 2371 O ASP A 168 2.473 8.903 15.744 1.00 43.54 O ATOM 2372 CB ASP A 168 -0.039 11.440 16.096 1.00 60.32 C ATOM 2373 CG ASP A 168 -0.392 12.375 14.956 1.00 2.44 C ATOM 2374 OD1 ASP A 168 0.533 12.990 14.385 1.00 62.03 O ATOM 2375 OD2 ASP A 168 -1.593 12.492 14.636 1.00 42.54 O ATOM 0 H ASP A 168 0.505 8.709 17.213 1.00 55.54 H new ATOM 0 HA ASP A 168 -0.057 9.883 14.615 1.00 13.33 H new ATOM 0 HB2 ASP A 168 -0.894 11.350 16.766 1.00 60.32 H new ATOM 0 HB3 ASP A 168 0.777 11.871 16.676 1.00 60.32 H new ATOM 2380 N GLY A 169 2.519 11.069 15.137 1.00 54.33 N ATOM 2381 CA GLY A 169 3.964 11.092 15.005 1.00 14.42 C ATOM 2382 C GLY A 169 4.436 12.096 13.972 1.00 11.45 C ATOM 2383 O GLY A 169 3.682 12.980 13.565 1.00 10.31 O ATOM 0 H GLY A 169 2.056 11.954 14.931 1.00 54.33 H new ATOM 0 HA2 GLY A 169 4.410 11.332 15.970 1.00 14.42 H new ATOM 0 HA3 GLY A 169 4.316 10.098 14.729 1.00 14.42 H new