USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl 164:sc= -0.149 (180deg=-0.582) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0277 K(o=-0.18,f=-0.99) USER MOD Set 1.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= -0.356 K(o=-0.92,f=-0.21) USER MOD Set 2.2: A 97 MET CE :methyl 163:sc= -0.559 (180deg=-0.209) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.00023 X(o=0.017,f=-0.33) USER MOD Set 3.2: A 39 TYR OH : rot -21:sc= 0.0172 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= 1.28 (180deg=-0.361) USER MOD Single : A 21 ASN : amide:sc= -0.958 X(o=-0.96,f=-0.55) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0.568 (180deg=0.547) USER MOD Single : A 26 CYS SG : rot 83:sc= 0.621 USER MOD Single : A 28 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.014) USER MOD Single : A 36 MET CE :methyl 140:sc= -0.19 (180deg=-0.682) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-7.9!) USER MOD Single : A 40 THR OG1 : rot 67:sc= 0.896 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.497 (180deg=0.397) USER MOD Single : A 53 TYR OH : rot 48:sc= 0.342 USER MOD Single : A 54 SER OG : rot 141:sc= -0.829 USER MOD Single : A 55 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 59 CYS SG : rot 72:sc= 1.24 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 125:sc= -2.76! USER MOD Single : A 76 CYS SG : rot 100:sc= 0.0317 USER MOD Single : A 78 GLN : amide:sc= -1.73! K(o=-1.7!,f=-0.1) USER MOD Single : A 82 THR OG1 : rot -55:sc= 0.405 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 0.491 (180deg=0.429) USER MOD Single : A 87 TYR OH : rot 25:sc= 0.985 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 90 LYS NZ :NH3+ -115:sc= -1.23 (180deg=-2.19!) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc=-5.76e-05 (180deg=-0.0425) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.0971 USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.426 USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 0.553 (180deg=0.536) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.098) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 0.79 (180deg=0.684) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -33:sc= 0.41 USER MOD Single : A 117 CYS SG : rot 159:sc= -4.05! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.67) USER MOD Single : A 127 CYS SG : rot 54:sc= 1.32 USER MOD Single : A 128 MET CE :methyl -161:sc= -0.117 (180deg=-0.626) USER MOD Single : A 129 MET CE :methyl -146:sc= 0 (180deg=-0.134) USER MOD Single : A 133 ASN : amide:sc= 0.43 X(o=0.43,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 10.648 20.692 -1.527 1.00 40.35 N ATOM 222 CA LEU A 15 9.297 21.136 -1.914 1.00 72.41 C ATOM 223 C LEU A 15 8.333 19.933 -2.048 1.00 10.11 C ATOM 224 O LEU A 15 7.131 20.032 -1.748 1.00 72.01 O ATOM 225 CB LEU A 15 9.348 21.964 -3.231 1.00 1.00 C ATOM 226 CG LEU A 15 10.147 23.327 -3.170 1.00 41.24 C ATOM 227 CD1 LEU A 15 11.680 23.135 -3.229 1.00 75.55 C ATOM 228 CD2 LEU A 15 9.670 24.311 -4.260 1.00 44.54 C ATOM 0 HA LEU A 15 8.912 21.781 -1.124 1.00 72.41 H new ATOM 0 HB2 LEU A 15 9.791 21.342 -4.009 1.00 1.00 H new ATOM 0 HB3 LEU A 15 8.325 22.180 -3.539 1.00 1.00 H new ATOM 0 HG LEU A 15 9.926 23.762 -2.195 1.00 41.24 H new ATOM 0 HD11 LEU A 15 12.170 24.107 -3.183 1.00 75.55 H new ATOM 0 HD12 LEU A 15 12.003 22.525 -2.385 1.00 75.55 H new ATOM 0 HD13 LEU A 15 11.949 22.637 -4.160 1.00 75.55 H new ATOM 0 HD21 LEU A 15 10.240 25.237 -4.189 1.00 44.54 H new ATOM 0 HD22 LEU A 15 9.822 23.866 -5.243 1.00 44.54 H new ATOM 0 HD23 LEU A 15 8.611 24.525 -4.118 1.00 44.54 H new ATOM 240 N ALA A 16 8.902 18.785 -2.436 1.00 24.35 N ATOM 241 CA ALA A 16 8.169 17.521 -2.576 1.00 44.25 C ATOM 242 C ALA A 16 7.632 16.983 -1.229 1.00 42.13 C ATOM 243 O ALA A 16 6.708 16.165 -1.220 1.00 73.14 O ATOM 244 CB ALA A 16 9.050 16.485 -3.288 1.00 65.53 C ATOM 0 H ALA A 16 9.893 18.707 -2.664 1.00 24.35 H new ATOM 0 HA ALA A 16 7.287 17.717 -3.186 1.00 44.25 H new ATOM 0 HB1 ALA A 16 8.501 15.549 -3.389 1.00 65.53 H new ATOM 0 HB2 ALA A 16 9.321 16.856 -4.277 1.00 65.53 H new ATOM 0 HB3 ALA A 16 9.955 16.314 -2.704 1.00 65.53 H new ATOM 250 N LEU A 17 8.213 17.433 -0.094 1.00 72.54 N ATOM 251 CA LEU A 17 7.728 17.032 1.245 1.00 22.45 C ATOM 252 C LEU A 17 6.521 17.896 1.658 1.00 22.35 C ATOM 253 O LEU A 17 5.741 17.501 2.528 1.00 40.32 O ATOM 254 CB LEU A 17 8.896 17.071 2.300 1.00 14.41 C ATOM 255 CG LEU A 17 9.152 18.404 3.123 1.00 22.24 C ATOM 256 CD1 LEU A 17 8.308 18.459 4.424 1.00 25.55 C ATOM 257 CD2 LEU A 17 10.657 18.594 3.448 1.00 5.33 C ATOM 0 H LEU A 17 9.011 18.068 -0.078 1.00 72.54 H new ATOM 0 HA LEU A 17 7.383 15.999 1.205 1.00 22.45 H new ATOM 0 HB2 LEU A 17 8.716 16.271 3.018 1.00 14.41 H new ATOM 0 HB3 LEU A 17 9.820 16.827 1.776 1.00 14.41 H new ATOM 0 HG LEU A 17 8.832 19.227 2.484 1.00 22.24 H new ATOM 0 HD11 LEU A 17 8.516 19.389 4.954 1.00 25.55 H new ATOM 0 HD12 LEU A 17 7.248 18.414 4.172 1.00 25.55 H new ATOM 0 HD13 LEU A 17 8.566 17.613 5.061 1.00 25.55 H new ATOM 0 HD21 LEU A 17 10.794 19.517 4.012 1.00 5.33 H new ATOM 0 HD22 LEU A 17 11.010 17.750 4.041 1.00 5.33 H new ATOM 0 HD23 LEU A 17 11.226 18.648 2.520 1.00 5.33 H new ATOM 269 N MET A 18 6.360 19.075 1.017 1.00 24.00 N ATOM 270 CA MET A 18 5.290 20.042 1.378 1.00 62.45 C ATOM 271 C MET A 18 3.920 19.532 0.889 1.00 2.25 C ATOM 272 O MET A 18 2.889 19.711 1.555 1.00 51.20 O ATOM 273 CB MET A 18 5.593 21.445 0.775 1.00 43.24 C ATOM 274 CG MET A 18 7.025 21.948 1.022 1.00 44.23 C ATOM 275 SD MET A 18 7.453 22.101 2.766 1.00 13.14 S ATOM 276 CE MET A 18 9.174 22.602 2.646 1.00 34.30 C ATOM 0 H MET A 18 6.955 19.383 0.248 1.00 24.00 H new ATOM 0 HA MET A 18 5.261 20.134 2.464 1.00 62.45 H new ATOM 0 HB2 MET A 18 5.413 21.411 -0.300 1.00 43.24 H new ATOM 0 HB3 MET A 18 4.891 22.166 1.193 1.00 43.24 H new ATOM 0 HG2 MET A 18 7.727 21.265 0.544 1.00 44.23 H new ATOM 0 HG3 MET A 18 7.147 22.919 0.541 1.00 44.23 H new ATOM 0 HE1 MET A 18 9.584 22.738 3.647 1.00 34.30 H new ATOM 0 HE2 MET A 18 9.741 21.832 2.123 1.00 34.30 H new ATOM 0 HE3 MET A 18 9.242 23.540 2.096 1.00 34.30 H new ATOM 286 N VAL A 19 3.941 18.867 -0.274 1.00 61.31 N ATOM 287 CA VAL A 19 2.728 18.369 -0.950 1.00 54.15 C ATOM 288 C VAL A 19 2.190 17.075 -0.286 1.00 54.35 C ATOM 289 O VAL A 19 0.995 16.778 -0.365 1.00 4.32 O ATOM 290 CB VAL A 19 3.007 18.142 -2.479 1.00 31.22 C ATOM 291 CG1 VAL A 19 4.008 16.989 -2.695 1.00 32.11 C ATOM 292 CG2 VAL A 19 1.701 17.941 -3.296 1.00 34.24 C ATOM 0 H VAL A 19 4.803 18.657 -0.778 1.00 61.31 H new ATOM 0 HA VAL A 19 1.954 19.129 -0.847 1.00 54.15 H new ATOM 0 HB VAL A 19 3.466 19.053 -2.862 1.00 31.22 H new ATOM 0 HG11 VAL A 19 4.183 16.854 -3.762 1.00 32.11 H new ATOM 0 HG12 VAL A 19 4.950 17.227 -2.201 1.00 32.11 H new ATOM 0 HG13 VAL A 19 3.600 16.070 -2.275 1.00 32.11 H new ATOM 0 HG21 VAL A 19 1.949 17.788 -4.346 1.00 34.24 H new ATOM 0 HG22 VAL A 19 1.166 17.069 -2.919 1.00 34.24 H new ATOM 0 HG23 VAL A 19 1.070 18.824 -3.197 1.00 34.24 H new ATOM 302 N LYS A 20 3.072 16.297 0.381 1.00 4.30 N ATOM 303 CA LYS A 20 2.633 15.092 1.120 1.00 75.43 C ATOM 304 C LYS A 20 1.986 15.498 2.461 1.00 42.15 C ATOM 305 O LYS A 20 1.173 14.754 3.008 1.00 74.21 O ATOM 306 CB LYS A 20 3.804 14.090 1.340 1.00 63.54 C ATOM 307 CG LYS A 20 4.824 14.475 2.439 1.00 12.13 C ATOM 308 CD LYS A 20 6.006 13.475 2.577 1.00 14.41 C ATOM 309 CE LYS A 20 6.854 13.355 1.302 1.00 3.55 C ATOM 310 NZ LYS A 20 8.080 12.537 1.517 1.00 45.24 N ATOM 0 H LYS A 20 4.075 16.477 0.423 1.00 4.30 H new ATOM 0 HA LYS A 20 1.887 14.578 0.514 1.00 75.43 H new ATOM 0 HB2 LYS A 20 3.382 13.116 1.588 1.00 63.54 H new ATOM 0 HB3 LYS A 20 4.340 13.975 0.398 1.00 63.54 H new ATOM 0 HG2 LYS A 20 5.222 15.466 2.221 1.00 12.13 H new ATOM 0 HG3 LYS A 20 4.305 14.544 3.395 1.00 12.13 H new ATOM 0 HD2 LYS A 20 6.645 13.791 3.401 1.00 14.41 H new ATOM 0 HD3 LYS A 20 5.613 12.492 2.837 1.00 14.41 H new ATOM 0 HE2 LYS A 20 6.254 12.907 0.510 1.00 3.55 H new ATOM 0 HE3 LYS A 20 7.139 14.351 0.962 1.00 3.55 H new ATOM 0 HZ1 LYS A 20 8.922 13.136 1.401 1.00 45.24 H new ATOM 0 HZ2 LYS A 20 8.068 12.140 2.478 1.00 45.24 H new ATOM 0 HZ3 LYS A 20 8.107 11.763 0.823 1.00 45.24 H new ATOM 324 N ASN A 21 2.356 16.700 2.969 1.00 51.22 N ATOM 325 CA ASN A 21 1.769 17.284 4.201 1.00 21.11 C ATOM 326 C ASN A 21 0.288 17.619 3.990 1.00 13.25 C ATOM 327 O ASN A 21 -0.565 17.211 4.790 1.00 55.43 O ATOM 328 CB ASN A 21 2.545 18.556 4.658 1.00 73.02 C ATOM 329 CG ASN A 21 4.005 18.284 5.016 1.00 71.11 C ATOM 330 OD1 ASN A 21 4.363 17.185 5.450 1.00 70.35 O ATOM 331 ND2 ASN A 21 4.853 19.288 4.864 1.00 33.21 N ATOM 0 H ASN A 21 3.067 17.290 2.538 1.00 51.22 H new ATOM 0 HA ASN A 21 1.854 16.535 4.988 1.00 21.11 H new ATOM 0 HB2 ASN A 21 2.507 19.300 3.863 1.00 73.02 H new ATOM 0 HB3 ASN A 21 2.042 18.988 5.523 1.00 73.02 H new ATOM 0 HD21 ASN A 21 5.836 19.167 5.108 1.00 33.21 H new ATOM 0 HD22 ASN A 21 4.524 20.183 4.503 1.00 33.21 H new ATOM 338 N LYS A 22 -0.017 18.332 2.885 1.00 13.45 N ATOM 339 CA LYS A 22 -1.408 18.680 2.528 1.00 61.44 C ATOM 340 C LYS A 22 -2.176 17.421 2.089 1.00 73.32 C ATOM 341 O LYS A 22 -3.402 17.383 2.149 1.00 45.01 O ATOM 342 CB LYS A 22 -1.450 19.804 1.440 1.00 60.24 C ATOM 343 CG LYS A 22 -0.702 19.511 0.109 1.00 22.44 C ATOM 344 CD LYS A 22 -1.490 18.652 -0.920 1.00 63.15 C ATOM 345 CE LYS A 22 -2.685 19.397 -1.544 1.00 5.23 C ATOM 346 NZ LYS A 22 -2.255 20.537 -2.403 1.00 40.20 N ATOM 0 H LYS A 22 0.681 18.677 2.226 1.00 13.45 H new ATOM 0 HA LYS A 22 -1.905 19.081 3.411 1.00 61.44 H new ATOM 0 HB2 LYS A 22 -2.494 20.013 1.206 1.00 60.24 H new ATOM 0 HB3 LYS A 22 -1.032 20.713 1.873 1.00 60.24 H new ATOM 0 HG2 LYS A 22 -0.441 20.460 -0.359 1.00 22.44 H new ATOM 0 HG3 LYS A 22 0.234 19.003 0.341 1.00 22.44 H new ATOM 0 HD2 LYS A 22 -0.813 18.336 -1.713 1.00 63.15 H new ATOM 0 HD3 LYS A 22 -1.850 17.748 -0.429 1.00 63.15 H new ATOM 0 HE2 LYS A 22 -3.275 18.699 -2.138 1.00 5.23 H new ATOM 0 HE3 LYS A 22 -3.334 19.767 -0.750 1.00 5.23 H new ATOM 0 HZ1 LYS A 22 -3.092 21.059 -2.732 1.00 40.20 H new ATOM 0 HZ2 LYS A 22 -1.644 21.174 -1.854 1.00 40.20 H new ATOM 0 HZ3 LYS A 22 -1.729 20.174 -3.223 1.00 40.20 H new ATOM 360 N GLY A 23 -1.419 16.405 1.611 1.00 11.04 N ATOM 361 CA GLY A 23 -1.976 15.112 1.241 1.00 4.04 C ATOM 362 C GLY A 23 -2.578 14.386 2.433 1.00 53.00 C ATOM 363 O GLY A 23 -3.777 14.060 2.438 1.00 64.32 O ATOM 0 H GLY A 23 -0.410 16.473 1.477 1.00 11.04 H new ATOM 0 HA2 GLY A 23 -2.742 15.253 0.478 1.00 4.04 H new ATOM 0 HA3 GLY A 23 -1.195 14.495 0.798 1.00 4.04 H new ATOM 367 N ASN A 24 -1.747 14.169 3.454 1.00 72.22 N ATOM 368 CA ASN A 24 -2.147 13.518 4.717 1.00 20.22 C ATOM 369 C ASN A 24 -3.256 14.319 5.426 1.00 42.43 C ATOM 370 O ASN A 24 -4.143 13.732 6.045 1.00 20.15 O ATOM 371 CB ASN A 24 -0.923 13.361 5.656 1.00 23.02 C ATOM 372 CG ASN A 24 0.244 12.600 5.019 1.00 72.00 C ATOM 373 OD1 ASN A 24 0.057 11.749 4.144 1.00 31.52 O ATOM 374 ND2 ASN A 24 1.458 12.897 5.457 1.00 60.13 N ATOM 0 H ASN A 24 -0.764 14.441 3.433 1.00 72.22 H new ATOM 0 HA ASN A 24 -2.539 12.530 4.476 1.00 20.22 H new ATOM 0 HB2 ASN A 24 -0.579 14.350 5.959 1.00 23.02 H new ATOM 0 HB3 ASN A 24 -1.235 12.840 6.562 1.00 23.02 H new ATOM 0 HD21 ASN A 24 2.271 12.418 5.070 1.00 60.13 H new ATOM 0 HD22 ASN A 24 1.580 13.605 6.181 1.00 60.13 H new ATOM 381 N GLU A 25 -3.202 15.662 5.285 1.00 50.35 N ATOM 382 CA GLU A 25 -4.160 16.582 5.890 1.00 61.42 C ATOM 383 C GLU A 25 -5.543 16.450 5.242 1.00 11.51 C ATOM 384 O GLU A 25 -6.499 16.151 5.946 1.00 71.24 O ATOM 385 CB GLU A 25 -3.612 18.047 5.832 1.00 70.41 C ATOM 386 CG GLU A 25 -4.676 19.145 5.794 1.00 1.52 C ATOM 387 CD GLU A 25 -4.092 20.562 5.844 1.00 75.25 C ATOM 388 OE1 GLU A 25 -3.786 21.127 4.768 1.00 62.22 O ATOM 389 OE2 GLU A 25 -3.968 21.124 6.954 1.00 32.31 O ATOM 0 H GLU A 25 -2.479 16.132 4.739 1.00 50.35 H new ATOM 0 HA GLU A 25 -4.285 16.318 6.940 1.00 61.42 H new ATOM 0 HB2 GLU A 25 -2.974 18.213 6.700 1.00 70.41 H new ATOM 0 HB3 GLU A 25 -2.981 18.146 4.949 1.00 70.41 H new ATOM 0 HG2 GLU A 25 -5.268 19.036 4.885 1.00 1.52 H new ATOM 0 HG3 GLU A 25 -5.356 19.011 6.635 1.00 1.52 H new ATOM 396 N CYS A 26 -5.635 16.615 3.904 1.00 23.10 N ATOM 397 CA CYS A 26 -6.935 16.630 3.197 1.00 64.21 C ATOM 398 C CYS A 26 -7.726 15.326 3.401 1.00 0.43 C ATOM 399 O CYS A 26 -8.926 15.363 3.696 1.00 13.23 O ATOM 400 CB CYS A 26 -6.738 16.915 1.708 1.00 70.03 C ATOM 401 SG CYS A 26 -6.103 18.565 1.355 1.00 55.53 S ATOM 0 H CYS A 26 -4.827 16.739 3.294 1.00 23.10 H new ATOM 0 HA CYS A 26 -7.527 17.435 3.633 1.00 64.21 H new ATOM 0 HB2 CYS A 26 -6.051 16.176 1.295 1.00 70.03 H new ATOM 0 HB3 CYS A 26 -7.691 16.786 1.195 1.00 70.03 H new ATOM 0 HG CYS A 26 -4.810 18.570 1.488 1.00 55.53 H new ATOM 407 N PHE A 27 -7.019 14.182 3.301 1.00 3.52 N ATOM 408 CA PHE A 27 -7.611 12.854 3.552 1.00 74.33 C ATOM 409 C PHE A 27 -8.164 12.771 5.005 1.00 52.30 C ATOM 410 O PHE A 27 -9.281 12.284 5.233 1.00 61.00 O ATOM 411 CB PHE A 27 -6.563 11.742 3.277 1.00 0.13 C ATOM 412 CG PHE A 27 -7.075 10.317 3.494 1.00 41.02 C ATOM 413 CD1 PHE A 27 -8.143 9.817 2.745 1.00 25.05 C ATOM 414 CD2 PHE A 27 -6.496 9.479 4.452 1.00 42.03 C ATOM 415 CE1 PHE A 27 -8.612 8.532 2.944 1.00 61.34 C ATOM 416 CE2 PHE A 27 -6.968 8.194 4.650 1.00 61.12 C ATOM 417 CZ PHE A 27 -8.026 7.720 3.897 1.00 75.44 C ATOM 0 H PHE A 27 -6.032 14.153 3.047 1.00 3.52 H new ATOM 0 HA PHE A 27 -8.449 12.702 2.871 1.00 74.33 H new ATOM 0 HB2 PHE A 27 -6.214 11.836 2.249 1.00 0.13 H new ATOM 0 HB3 PHE A 27 -5.700 11.906 3.923 1.00 0.13 H new ATOM 0 HD1 PHE A 27 -8.609 10.444 1.999 1.00 25.05 H new ATOM 0 HD2 PHE A 27 -5.669 9.840 5.045 1.00 42.03 H new ATOM 0 HE1 PHE A 27 -9.437 8.162 2.354 1.00 61.34 H new ATOM 0 HE2 PHE A 27 -6.509 7.560 5.394 1.00 61.12 H new ATOM 0 HZ PHE A 27 -8.394 6.717 4.053 1.00 75.44 H new ATOM 427 N GLN A 28 -7.381 13.334 5.949 1.00 63.14 N ATOM 428 CA GLN A 28 -7.739 13.441 7.378 1.00 1.11 C ATOM 429 C GLN A 28 -8.953 14.388 7.586 1.00 73.02 C ATOM 430 O GLN A 28 -9.664 14.266 8.589 1.00 11.14 O ATOM 431 CB GLN A 28 -6.505 13.963 8.178 1.00 10.41 C ATOM 432 CG GLN A 28 -6.701 14.120 9.700 1.00 4.11 C ATOM 433 CD GLN A 28 -7.001 12.809 10.440 1.00 53.11 C ATOM 434 OE1 GLN A 28 -7.734 12.797 11.428 1.00 33.20 O ATOM 435 NE2 GLN A 28 -6.419 11.694 9.997 1.00 20.12 N ATOM 0 H GLN A 28 -6.467 13.733 5.735 1.00 63.14 H new ATOM 0 HA GLN A 28 -8.024 12.454 7.742 1.00 1.11 H new ATOM 0 HB2 GLN A 28 -5.672 13.281 8.008 1.00 10.41 H new ATOM 0 HB3 GLN A 28 -6.214 14.930 7.768 1.00 10.41 H new ATOM 0 HG2 GLN A 28 -5.802 14.566 10.126 1.00 4.11 H new ATOM 0 HG3 GLN A 28 -7.518 14.819 9.878 1.00 4.11 H new ATOM 0 HE21 GLN A 28 -5.815 11.726 9.176 1.00 20.12 H new ATOM 0 HE22 GLN A 28 -6.578 10.809 10.479 1.00 20.12 H new ATOM 444 N LYS A 29 -9.205 15.320 6.622 1.00 22.23 N ATOM 445 CA LYS A 29 -10.384 16.231 6.695 1.00 70.12 C ATOM 446 C LYS A 29 -11.660 15.483 6.239 1.00 31.04 C ATOM 447 O LYS A 29 -12.774 16.014 6.342 1.00 52.43 O ATOM 448 CB LYS A 29 -10.185 17.521 5.829 1.00 74.35 C ATOM 449 CG LYS A 29 -8.793 18.196 5.890 1.00 60.11 C ATOM 450 CD LYS A 29 -8.306 18.614 7.296 1.00 40.32 C ATOM 451 CE LYS A 29 -9.162 19.721 7.917 1.00 35.43 C ATOM 452 NZ LYS A 29 -8.553 20.271 9.161 1.00 62.02 N ATOM 0 H LYS A 29 -8.618 15.458 5.799 1.00 22.23 H new ATOM 0 HA LYS A 29 -10.492 16.544 7.733 1.00 70.12 H new ATOM 0 HB2 LYS A 29 -10.394 17.268 4.790 1.00 74.35 H new ATOM 0 HB3 LYS A 29 -10.931 18.254 6.135 1.00 74.35 H new ATOM 0 HG2 LYS A 29 -8.060 17.512 5.461 1.00 60.11 H new ATOM 0 HG3 LYS A 29 -8.812 19.082 5.255 1.00 60.11 H new ATOM 0 HD2 LYS A 29 -8.315 17.743 7.952 1.00 40.32 H new ATOM 0 HD3 LYS A 29 -7.272 18.954 7.231 1.00 40.32 H new ATOM 0 HE2 LYS A 29 -9.295 20.525 7.193 1.00 35.43 H new ATOM 0 HE3 LYS A 29 -10.153 19.328 8.143 1.00 35.43 H new ATOM 0 HZ1 LYS A 29 -9.166 21.017 9.547 1.00 62.02 H new ATOM 0 HZ2 LYS A 29 -8.450 19.510 9.863 1.00 62.02 H new ATOM 0 HZ3 LYS A 29 -7.618 20.670 8.943 1.00 62.02 H new ATOM 466 N GLY A 30 -11.473 14.244 5.737 1.00 12.41 N ATOM 467 CA GLY A 30 -12.564 13.396 5.266 1.00 41.12 C ATOM 468 C GLY A 30 -12.696 13.420 3.754 1.00 41.25 C ATOM 469 O GLY A 30 -13.794 13.227 3.232 1.00 72.14 O ATOM 0 H GLY A 30 -10.553 13.811 5.651 1.00 12.41 H new ATOM 0 HA2 GLY A 30 -12.395 12.372 5.598 1.00 41.12 H new ATOM 0 HA3 GLY A 30 -13.500 13.727 5.716 1.00 41.12 H new ATOM 473 N ASP A 31 -11.582 13.666 3.046 1.00 53.51 N ATOM 474 CA ASP A 31 -11.550 13.713 1.571 1.00 21.51 C ATOM 475 C ASP A 31 -10.888 12.438 1.013 1.00 44.22 C ATOM 476 O ASP A 31 -9.670 12.391 0.831 1.00 44.51 O ATOM 477 CB ASP A 31 -10.807 14.997 1.103 1.00 51.13 C ATOM 478 CG ASP A 31 -11.587 16.282 1.409 1.00 72.31 C ATOM 479 OD1 ASP A 31 -11.493 16.797 2.546 1.00 64.35 O ATOM 480 OD2 ASP A 31 -12.314 16.779 0.516 1.00 43.20 O ATOM 0 H ASP A 31 -10.675 13.839 3.479 1.00 53.51 H new ATOM 0 HA ASP A 31 -12.568 13.752 1.184 1.00 21.51 H new ATOM 0 HB2 ASP A 31 -9.833 15.045 1.589 1.00 51.13 H new ATOM 0 HB3 ASP A 31 -10.625 14.935 0.030 1.00 51.13 H new ATOM 485 N TYR A 32 -11.711 11.401 0.768 1.00 31.31 N ATOM 486 CA TYR A 32 -11.253 10.074 0.298 1.00 54.21 C ATOM 487 C TYR A 32 -11.016 10.055 -1.249 1.00 60.13 C ATOM 488 O TYR A 32 -9.959 9.581 -1.681 1.00 24.43 O ATOM 489 CB TYR A 32 -12.250 8.953 0.732 1.00 24.45 C ATOM 490 CG TYR A 32 -12.389 8.764 2.260 1.00 14.12 C ATOM 491 CD1 TYR A 32 -12.762 9.824 3.087 1.00 1.00 C ATOM 492 CD2 TYR A 32 -12.149 7.530 2.872 1.00 73.14 C ATOM 493 CE1 TYR A 32 -12.892 9.666 4.446 1.00 63.21 C ATOM 494 CE2 TYR A 32 -12.277 7.370 4.240 1.00 71.03 C ATOM 495 CZ TYR A 32 -12.647 8.445 5.022 1.00 2.22 C ATOM 496 OH TYR A 32 -12.780 8.288 6.385 1.00 32.34 O ATOM 0 H TYR A 32 -12.722 11.458 0.891 1.00 31.31 H new ATOM 0 HA TYR A 32 -10.292 9.873 0.772 1.00 54.21 H new ATOM 0 HB2 TYR A 32 -13.232 9.180 0.317 1.00 24.45 H new ATOM 0 HB3 TYR A 32 -11.928 8.010 0.291 1.00 24.45 H new ATOM 0 HD1 TYR A 32 -12.953 10.792 2.649 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -11.858 6.685 2.265 1.00 73.14 H new ATOM 0 HE1 TYR A 32 -13.187 10.503 5.061 1.00 63.21 H new ATOM 0 HE2 TYR A 32 -12.088 6.408 4.694 1.00 71.03 H new ATOM 0 HH TYR A 32 -12.571 7.362 6.630 1.00 32.34 H new ATOM 506 N PRO A 33 -11.978 10.548 -2.126 1.00 22.10 N ATOM 507 CA PRO A 33 -11.727 10.613 -3.593 1.00 64.12 C ATOM 508 C PRO A 33 -10.635 11.657 -3.936 1.00 1.14 C ATOM 509 O PRO A 33 -9.716 11.367 -4.719 1.00 31.44 O ATOM 510 CB PRO A 33 -13.113 10.976 -4.185 1.00 2.20 C ATOM 511 CG PRO A 33 -13.837 11.681 -3.075 1.00 51.14 C ATOM 512 CD PRO A 33 -13.364 11.019 -1.802 1.00 65.11 C ATOM 0 HA PRO A 33 -11.341 9.680 -4.005 1.00 64.12 H new ATOM 0 HB2 PRO A 33 -13.012 11.617 -5.061 1.00 2.20 H new ATOM 0 HB3 PRO A 33 -13.652 10.084 -4.504 1.00 2.20 H new ATOM 0 HG2 PRO A 33 -13.608 12.747 -3.072 1.00 51.14 H new ATOM 0 HG3 PRO A 33 -14.917 11.587 -3.189 1.00 51.14 H new ATOM 0 HD2 PRO A 33 -13.362 11.719 -0.966 1.00 65.11 H new ATOM 0 HD3 PRO A 33 -14.011 10.188 -1.521 1.00 65.11 H new ATOM 520 N GLN A 34 -10.728 12.851 -3.299 1.00 11.43 N ATOM 521 CA GLN A 34 -9.733 13.939 -3.450 1.00 5.50 C ATOM 522 C GLN A 34 -8.332 13.493 -3.010 1.00 3.14 C ATOM 523 O GLN A 34 -7.336 14.090 -3.424 1.00 12.05 O ATOM 524 CB GLN A 34 -10.158 15.187 -2.636 1.00 44.52 C ATOM 525 CG GLN A 34 -11.445 15.878 -3.113 1.00 75.30 C ATOM 526 CD GLN A 34 -11.316 16.482 -4.514 1.00 54.30 C ATOM 527 OE1 GLN A 34 -10.925 17.639 -4.678 1.00 20.42 O ATOM 528 NE2 GLN A 34 -11.644 15.709 -5.532 1.00 13.12 N ATOM 0 H GLN A 34 -11.494 13.085 -2.668 1.00 11.43 H new ATOM 0 HA GLN A 34 -9.695 14.193 -4.509 1.00 5.50 H new ATOM 0 HB2 GLN A 34 -10.288 14.893 -1.594 1.00 44.52 H new ATOM 0 HB3 GLN A 34 -9.345 15.912 -2.664 1.00 44.52 H new ATOM 0 HG2 GLN A 34 -12.262 15.156 -3.108 1.00 75.30 H new ATOM 0 HG3 GLN A 34 -11.711 16.665 -2.407 1.00 75.30 H new ATOM 0 HE21 GLN A 34 -11.964 14.755 -5.365 1.00 13.12 H new ATOM 0 HE22 GLN A 34 -11.577 16.065 -6.485 1.00 13.12 H new ATOM 537 N ALA A 35 -8.267 12.464 -2.132 1.00 5.42 N ATOM 538 CA ALA A 35 -7.006 11.837 -1.743 1.00 51.55 C ATOM 539 C ALA A 35 -6.288 11.197 -2.932 1.00 54.31 C ATOM 540 O ALA A 35 -5.086 11.395 -3.096 1.00 30.14 O ATOM 541 CB ALA A 35 -7.191 10.863 -0.579 1.00 34.15 C ATOM 0 H ALA A 35 -9.087 12.056 -1.683 1.00 5.42 H new ATOM 0 HA ALA A 35 -6.353 12.632 -1.384 1.00 51.55 H new ATOM 0 HB1 ALA A 35 -6.230 10.418 -0.320 1.00 34.15 H new ATOM 0 HB2 ALA A 35 -7.587 11.398 0.284 1.00 34.15 H new ATOM 0 HB3 ALA A 35 -7.888 10.077 -0.870 1.00 34.15 H new ATOM 547 N MET A 36 -7.050 10.543 -3.818 1.00 52.11 N ATOM 548 CA MET A 36 -6.492 9.869 -5.002 1.00 64.45 C ATOM 549 C MET A 36 -5.820 10.912 -5.941 1.00 25.33 C ATOM 550 O MET A 36 -4.787 10.642 -6.553 1.00 43.34 O ATOM 551 CB MET A 36 -7.625 9.089 -5.722 1.00 43.20 C ATOM 552 CG MET A 36 -7.205 8.278 -6.956 1.00 63.34 C ATOM 553 SD MET A 36 -8.611 7.477 -7.769 1.00 34.14 S ATOM 554 CE MET A 36 -9.640 8.878 -8.227 1.00 54.32 C ATOM 0 H MET A 36 -8.064 10.465 -3.737 1.00 52.11 H new ATOM 0 HA MET A 36 -5.722 9.157 -4.703 1.00 64.45 H new ATOM 0 HB2 MET A 36 -8.084 8.409 -5.004 1.00 43.20 H new ATOM 0 HB3 MET A 36 -8.394 9.800 -6.024 1.00 43.20 H new ATOM 0 HG2 MET A 36 -6.705 8.936 -7.667 1.00 63.34 H new ATOM 0 HG3 MET A 36 -6.480 7.520 -6.659 1.00 63.34 H new ATOM 0 HE1 MET A 36 -10.062 8.711 -9.218 1.00 54.32 H new ATOM 0 HE2 MET A 36 -10.447 8.989 -7.503 1.00 54.32 H new ATOM 0 HE3 MET A 36 -9.036 9.785 -8.239 1.00 54.32 H new ATOM 564 N LYS A 37 -6.391 12.135 -5.954 1.00 51.24 N ATOM 565 CA LYS A 37 -5.939 13.241 -6.828 1.00 63.31 C ATOM 566 C LYS A 37 -4.750 14.011 -6.231 1.00 51.43 C ATOM 567 O LYS A 37 -3.781 14.308 -6.943 1.00 45.23 O ATOM 568 CB LYS A 37 -7.107 14.219 -7.096 1.00 45.35 C ATOM 569 CG LYS A 37 -8.333 13.558 -7.748 1.00 14.04 C ATOM 570 CD LYS A 37 -9.411 14.582 -8.167 1.00 70.55 C ATOM 571 CE LYS A 37 -10.552 13.949 -8.968 1.00 31.50 C ATOM 572 NZ LYS A 37 -11.539 14.972 -9.420 1.00 5.03 N ATOM 0 H LYS A 37 -7.180 12.385 -5.358 1.00 51.24 H new ATOM 0 HA LYS A 37 -5.606 12.792 -7.764 1.00 63.31 H new ATOM 0 HB2 LYS A 37 -7.410 14.675 -6.154 1.00 45.35 H new ATOM 0 HB3 LYS A 37 -6.754 15.024 -7.741 1.00 45.35 H new ATOM 0 HG2 LYS A 37 -8.013 12.994 -8.624 1.00 14.04 H new ATOM 0 HG3 LYS A 37 -8.769 12.843 -7.050 1.00 14.04 H new ATOM 0 HD2 LYS A 37 -9.820 15.058 -7.275 1.00 70.55 H new ATOM 0 HD3 LYS A 37 -8.947 15.368 -8.763 1.00 70.55 H new ATOM 0 HE2 LYS A 37 -10.144 13.428 -9.834 1.00 31.50 H new ATOM 0 HE3 LYS A 37 -11.056 13.202 -8.356 1.00 31.50 H new ATOM 0 HZ1 LYS A 37 -12.298 14.508 -9.959 1.00 5.03 H new ATOM 0 HZ2 LYS A 37 -11.946 15.451 -8.592 1.00 5.03 H new ATOM 0 HZ3 LYS A 37 -11.062 15.671 -10.025 1.00 5.03 H new ATOM 586 N HIS A 38 -4.825 14.345 -4.929 1.00 54.03 N ATOM 587 CA HIS A 38 -3.774 15.158 -4.265 1.00 0.33 C ATOM 588 C HIS A 38 -2.469 14.353 -4.074 1.00 2.32 C ATOM 589 O HIS A 38 -1.409 14.927 -3.800 1.00 3.15 O ATOM 590 CB HIS A 38 -4.261 15.827 -2.938 1.00 22.12 C ATOM 591 CG HIS A 38 -4.583 14.916 -1.777 1.00 20.43 C ATOM 592 ND1 HIS A 38 -5.620 15.159 -0.908 1.00 45.11 N ATOM 593 CD2 HIS A 38 -3.949 13.825 -1.273 1.00 75.34 C ATOM 594 CE1 HIS A 38 -5.613 14.260 0.051 1.00 12.35 C ATOM 595 NE2 HIS A 38 -4.615 13.441 -0.147 1.00 11.04 N ATOM 0 H HIS A 38 -5.593 14.070 -4.316 1.00 54.03 H new ATOM 0 HA HIS A 38 -3.549 15.983 -4.941 1.00 0.33 H new ATOM 0 HB2 HIS A 38 -3.492 16.528 -2.613 1.00 22.12 H new ATOM 0 HB3 HIS A 38 -5.152 16.413 -3.164 1.00 22.12 H new ATOM 0 HD2 HIS A 38 -3.074 13.348 -1.690 1.00 75.34 H new ATOM 0 HE1 HIS A 38 -6.317 14.207 0.868 1.00 12.35 H new ATOM 0 HE2 HIS A 38 -4.374 12.645 0.444 1.00 11.04 H new ATOM 604 N TYR A 39 -2.568 13.012 -4.136 1.00 1.42 N ATOM 605 CA TYR A 39 -1.379 12.147 -4.173 1.00 54.41 C ATOM 606 C TYR A 39 -0.820 12.027 -5.604 1.00 2.04 C ATOM 607 O TYR A 39 0.363 11.786 -5.765 1.00 60.41 O ATOM 608 CB TYR A 39 -1.662 10.761 -3.529 1.00 33.12 C ATOM 609 CG TYR A 39 -1.881 10.835 -1.996 1.00 25.14 C ATOM 610 CD1 TYR A 39 -0.968 11.510 -1.176 1.00 13.43 C ATOM 611 CD2 TYR A 39 -2.996 10.263 -1.373 1.00 51.03 C ATOM 612 CE1 TYR A 39 -1.156 11.600 0.194 1.00 10.41 C ATOM 613 CE2 TYR A 39 -3.189 10.362 -0.002 1.00 42.30 C ATOM 614 CZ TYR A 39 -2.265 11.028 0.774 1.00 20.30 C ATOM 615 OH TYR A 39 -2.463 11.142 2.133 1.00 63.30 O ATOM 0 H TYR A 39 -3.455 12.508 -4.161 1.00 1.42 H new ATOM 0 HA TYR A 39 -0.604 12.618 -3.569 1.00 54.41 H new ATOM 0 HB2 TYR A 39 -2.545 10.324 -3.995 1.00 33.12 H new ATOM 0 HB3 TYR A 39 -0.827 10.092 -3.739 1.00 33.12 H new ATOM 0 HD1 TYR A 39 -0.098 11.970 -1.621 1.00 13.43 H new ATOM 0 HD2 TYR A 39 -3.722 9.733 -1.972 1.00 51.03 H new ATOM 0 HE1 TYR A 39 -0.433 12.119 0.806 1.00 10.41 H new ATOM 0 HE2 TYR A 39 -4.061 9.918 0.455 1.00 42.30 H new ATOM 0 HH TYR A 39 -1.609 11.337 2.573 1.00 63.30 H new ATOM 625 N THR A 40 -1.662 12.245 -6.637 1.00 65.22 N ATOM 626 CA THR A 40 -1.201 12.272 -8.052 1.00 72.32 C ATOM 627 C THR A 40 -0.269 13.496 -8.312 1.00 62.13 C ATOM 628 O THR A 40 0.793 13.349 -8.934 1.00 53.42 O ATOM 629 CB THR A 40 -2.408 12.286 -9.058 1.00 61.15 C ATOM 630 OG1 THR A 40 -3.260 11.148 -8.832 1.00 34.35 O ATOM 631 CG2 THR A 40 -1.941 12.270 -10.532 1.00 41.05 C ATOM 0 H THR A 40 -2.663 12.405 -6.524 1.00 65.22 H new ATOM 0 HA THR A 40 -0.634 11.357 -8.222 1.00 72.32 H new ATOM 0 HB THR A 40 -2.955 13.212 -8.880 1.00 61.15 H new ATOM 0 HG1 THR A 40 -3.689 11.229 -7.955 1.00 34.35 H new ATOM 0 HG21 THR A 40 -2.810 12.280 -11.189 1.00 41.05 H new ATOM 0 HG22 THR A 40 -1.327 13.149 -10.729 1.00 41.05 H new ATOM 0 HG23 THR A 40 -1.356 11.369 -10.719 1.00 41.05 H new ATOM 639 N GLU A 41 -0.677 14.693 -7.819 1.00 61.51 N ATOM 640 CA GLU A 41 0.163 15.921 -7.890 1.00 2.53 C ATOM 641 C GLU A 41 1.435 15.762 -7.030 1.00 21.32 C ATOM 642 O GLU A 41 2.478 16.355 -7.329 1.00 53.03 O ATOM 643 CB GLU A 41 -0.641 17.173 -7.434 1.00 62.42 C ATOM 644 CG GLU A 41 -1.122 17.117 -5.975 1.00 33.43 C ATOM 645 CD GLU A 41 -1.892 18.359 -5.502 1.00 51.13 C ATOM 646 OE1 GLU A 41 -3.108 18.447 -5.753 1.00 42.23 O ATOM 647 OE2 GLU A 41 -1.282 19.249 -4.873 1.00 40.52 O ATOM 0 H GLU A 41 -1.581 14.836 -7.368 1.00 61.51 H new ATOM 0 HA GLU A 41 0.460 16.063 -8.929 1.00 2.53 H new ATOM 0 HB2 GLU A 41 -0.019 18.058 -7.566 1.00 62.42 H new ATOM 0 HB3 GLU A 41 -1.507 17.292 -8.086 1.00 62.42 H new ATOM 0 HG2 GLU A 41 -1.760 16.242 -5.851 1.00 33.43 H new ATOM 0 HG3 GLU A 41 -0.257 16.975 -5.327 1.00 33.43 H new ATOM 654 N ALA A 42 1.325 14.944 -5.962 1.00 2.32 N ATOM 655 CA ALA A 42 2.445 14.630 -5.071 1.00 34.34 C ATOM 656 C ALA A 42 3.473 13.724 -5.764 1.00 31.22 C ATOM 657 O ALA A 42 4.668 13.901 -5.570 1.00 12.32 O ATOM 658 CB ALA A 42 1.928 14.013 -3.770 1.00 12.15 C ATOM 0 H ALA A 42 0.453 14.486 -5.699 1.00 2.32 H new ATOM 0 HA ALA A 42 2.960 15.558 -4.822 1.00 34.34 H new ATOM 0 HB1 ALA A 42 2.770 13.784 -3.116 1.00 12.15 H new ATOM 0 HB2 ALA A 42 1.263 14.718 -3.272 1.00 12.15 H new ATOM 0 HB3 ALA A 42 1.383 13.096 -3.994 1.00 12.15 H new ATOM 664 N ILE A 43 2.992 12.783 -6.612 1.00 11.33 N ATOM 665 CA ILE A 43 3.849 11.904 -7.453 1.00 31.11 C ATOM 666 C ILE A 43 4.733 12.759 -8.399 1.00 5.23 C ATOM 667 O ILE A 43 5.900 12.439 -8.638 1.00 64.52 O ATOM 668 CB ILE A 43 2.951 10.852 -8.270 1.00 3.14 C ATOM 669 CG1 ILE A 43 2.869 9.469 -7.544 1.00 12.04 C ATOM 670 CG2 ILE A 43 3.415 10.645 -9.737 1.00 23.15 C ATOM 671 CD1 ILE A 43 2.247 9.474 -6.165 1.00 21.30 C ATOM 0 H ILE A 43 1.994 12.610 -6.734 1.00 11.33 H new ATOM 0 HA ILE A 43 4.512 11.333 -6.804 1.00 31.11 H new ATOM 0 HB ILE A 43 1.958 11.299 -8.304 1.00 3.14 H new ATOM 0 HG12 ILE A 43 2.300 8.785 -8.174 1.00 12.04 H new ATOM 0 HG13 ILE A 43 3.878 9.064 -7.463 1.00 12.04 H new ATOM 0 HG21 ILE A 43 2.762 9.922 -10.226 1.00 23.15 H new ATOM 0 HG22 ILE A 43 3.369 11.594 -10.270 1.00 23.15 H new ATOM 0 HG23 ILE A 43 4.440 10.273 -9.746 1.00 23.15 H new ATOM 0 HD11 ILE A 43 2.245 8.461 -5.763 1.00 21.30 H new ATOM 0 HD12 ILE A 43 2.824 10.124 -5.508 1.00 21.30 H new ATOM 0 HD13 ILE A 43 1.222 9.840 -6.229 1.00 21.30 H new ATOM 683 N LYS A 44 4.149 13.868 -8.892 1.00 40.44 N ATOM 684 CA LYS A 44 4.835 14.820 -9.799 1.00 70.25 C ATOM 685 C LYS A 44 5.988 15.557 -9.091 1.00 60.14 C ATOM 686 O LYS A 44 6.884 16.085 -9.745 1.00 52.33 O ATOM 687 CB LYS A 44 3.812 15.848 -10.347 1.00 30.41 C ATOM 688 CG LYS A 44 2.639 15.217 -11.123 1.00 22.02 C ATOM 689 CD LYS A 44 3.094 14.440 -12.380 1.00 44.13 C ATOM 690 CE LYS A 44 1.916 13.821 -13.145 1.00 65.31 C ATOM 691 NZ LYS A 44 2.369 13.093 -14.363 1.00 4.22 N ATOM 0 H LYS A 44 3.188 14.133 -8.675 1.00 40.44 H new ATOM 0 HA LYS A 44 5.264 14.247 -10.622 1.00 70.25 H new ATOM 0 HB2 LYS A 44 3.413 16.427 -9.514 1.00 30.41 H new ATOM 0 HB3 LYS A 44 4.332 16.548 -11.001 1.00 30.41 H new ATOM 0 HG2 LYS A 44 2.095 14.542 -10.462 1.00 22.02 H new ATOM 0 HG3 LYS A 44 1.943 16.002 -11.420 1.00 22.02 H new ATOM 0 HD2 LYS A 44 3.640 15.113 -13.042 1.00 44.13 H new ATOM 0 HD3 LYS A 44 3.787 13.652 -12.085 1.00 44.13 H new ATOM 0 HE2 LYS A 44 1.378 13.135 -12.491 1.00 65.31 H new ATOM 0 HE3 LYS A 44 1.215 14.606 -13.430 1.00 65.31 H new ATOM 0 HZ1 LYS A 44 1.545 12.689 -14.853 1.00 4.22 H new ATOM 0 HZ2 LYS A 44 2.861 13.753 -14.999 1.00 4.22 H new ATOM 0 HZ3 LYS A 44 3.018 12.328 -14.089 1.00 4.22 H new ATOM 705 N ARG A 45 5.928 15.600 -7.753 1.00 1.41 N ATOM 706 CA ARG A 45 6.941 16.259 -6.914 1.00 43.24 C ATOM 707 C ARG A 45 8.009 15.246 -6.462 1.00 40.23 C ATOM 708 O ARG A 45 9.212 15.512 -6.576 1.00 33.53 O ATOM 709 CB ARG A 45 6.246 16.911 -5.692 1.00 31.23 C ATOM 710 CG ARG A 45 5.147 17.931 -6.053 1.00 1.02 C ATOM 711 CD ARG A 45 5.681 19.172 -6.786 1.00 61.33 C ATOM 712 NE ARG A 45 4.585 20.038 -7.255 1.00 23.55 N ATOM 713 CZ ARG A 45 4.620 20.804 -8.356 1.00 31.05 C ATOM 714 NH1 ARG A 45 5.704 20.835 -9.142 1.00 53.55 N ATOM 715 NH2 ARG A 45 3.566 21.543 -8.677 1.00 11.30 N ATOM 0 H ARG A 45 5.170 15.176 -7.218 1.00 1.41 H new ATOM 0 HA ARG A 45 7.443 17.034 -7.493 1.00 43.24 H new ATOM 0 HB2 ARG A 45 5.807 16.125 -5.077 1.00 31.23 H new ATOM 0 HB3 ARG A 45 7.001 17.409 -5.083 1.00 31.23 H new ATOM 0 HG2 ARG A 45 4.400 17.442 -6.679 1.00 1.02 H new ATOM 0 HG3 ARG A 45 4.641 18.247 -5.141 1.00 1.02 H new ATOM 0 HD2 ARG A 45 6.332 19.737 -6.119 1.00 61.33 H new ATOM 0 HD3 ARG A 45 6.288 18.860 -7.636 1.00 61.33 H new ATOM 0 HE ARG A 45 3.731 20.057 -6.698 1.00 23.55 H new ATOM 0 HH11 ARG A 45 6.520 20.270 -8.907 1.00 53.55 H new ATOM 0 HH12 ARG A 45 5.713 21.423 -9.975 1.00 53.55 H new ATOM 0 HH21 ARG A 45 2.734 21.527 -8.088 1.00 11.30 H new ATOM 0 HH22 ARG A 45 3.588 22.127 -9.513 1.00 11.30 H new ATOM 729 N ASN A 46 7.563 14.084 -5.941 1.00 11.52 N ATOM 730 CA ASN A 46 8.453 13.000 -5.463 1.00 24.43 C ATOM 731 C ASN A 46 8.127 11.659 -6.175 1.00 13.44 C ATOM 732 O ASN A 46 7.452 10.791 -5.619 1.00 62.10 O ATOM 733 CB ASN A 46 8.439 12.874 -3.892 1.00 60.01 C ATOM 734 CG ASN A 46 7.060 12.937 -3.201 1.00 33.35 C ATOM 735 OD1 ASN A 46 6.944 13.455 -2.093 1.00 72.31 O ATOM 736 ND2 ASN A 46 6.021 12.384 -3.801 1.00 3.42 N ATOM 0 H ASN A 46 6.571 13.868 -5.839 1.00 11.52 H new ATOM 0 HA ASN A 46 9.476 13.264 -5.732 1.00 24.43 H new ATOM 0 HB2 ASN A 46 8.911 11.929 -3.623 1.00 60.01 H new ATOM 0 HB3 ASN A 46 9.061 13.669 -3.482 1.00 60.01 H new ATOM 0 HD21 ASN A 46 5.109 12.384 -3.344 1.00 3.42 H new ATOM 0 HD22 ASN A 46 6.131 11.957 -4.721 1.00 3.42 H new ATOM 743 N PRO A 47 8.635 11.466 -7.439 1.00 54.14 N ATOM 744 CA PRO A 47 8.392 10.226 -8.225 1.00 31.55 C ATOM 745 C PRO A 47 9.236 9.020 -7.741 1.00 72.21 C ATOM 746 O PRO A 47 9.172 7.933 -8.326 1.00 14.53 O ATOM 747 CB PRO A 47 8.769 10.659 -9.662 1.00 50.10 C ATOM 748 CG PRO A 47 9.848 11.678 -9.465 1.00 2.34 C ATOM 749 CD PRO A 47 9.470 12.437 -8.213 1.00 15.42 C ATOM 0 HA PRO A 47 7.368 9.866 -8.130 1.00 31.55 H new ATOM 0 HB2 PRO A 47 9.122 9.814 -10.253 1.00 50.10 H new ATOM 0 HB3 PRO A 47 7.913 11.081 -10.189 1.00 50.10 H new ATOM 0 HG2 PRO A 47 10.822 11.201 -9.355 1.00 2.34 H new ATOM 0 HG3 PRO A 47 9.916 12.347 -10.323 1.00 2.34 H new ATOM 0 HD2 PRO A 47 10.352 12.743 -7.650 1.00 15.42 H new ATOM 0 HD3 PRO A 47 8.913 13.343 -8.449 1.00 15.42 H new ATOM 757 N LYS A 48 10.028 9.222 -6.679 1.00 4.55 N ATOM 758 CA LYS A 48 10.838 8.159 -6.055 1.00 4.32 C ATOM 759 C LYS A 48 10.154 7.633 -4.784 1.00 61.30 C ATOM 760 O LYS A 48 10.460 6.523 -4.326 1.00 31.14 O ATOM 761 CB LYS A 48 12.271 8.674 -5.699 1.00 43.34 C ATOM 762 CG LYS A 48 13.094 9.257 -6.877 1.00 42.43 C ATOM 763 CD LYS A 48 12.821 10.758 -7.122 1.00 51.32 C ATOM 764 CE LYS A 48 13.689 11.344 -8.241 1.00 74.53 C ATOM 765 NZ LYS A 48 13.513 12.818 -8.376 1.00 30.44 N ATOM 0 H LYS A 48 10.127 10.130 -6.225 1.00 4.55 H new ATOM 0 HA LYS A 48 10.927 7.349 -6.779 1.00 4.32 H new ATOM 0 HB2 LYS A 48 12.180 9.441 -4.930 1.00 43.34 H new ATOM 0 HB3 LYS A 48 12.834 7.850 -5.261 1.00 43.34 H new ATOM 0 HG2 LYS A 48 14.156 9.115 -6.676 1.00 42.43 H new ATOM 0 HG3 LYS A 48 12.864 8.699 -7.785 1.00 42.43 H new ATOM 0 HD2 LYS A 48 11.770 10.895 -7.374 1.00 51.32 H new ATOM 0 HD3 LYS A 48 13.002 11.311 -6.200 1.00 51.32 H new ATOM 0 HE2 LYS A 48 14.737 11.122 -8.040 1.00 74.53 H new ATOM 0 HE3 LYS A 48 13.436 10.862 -9.185 1.00 74.53 H new ATOM 0 HZ1 LYS A 48 14.119 13.171 -9.144 1.00 30.44 H new ATOM 0 HZ2 LYS A 48 12.518 13.030 -8.594 1.00 30.44 H new ATOM 0 HZ3 LYS A 48 13.779 13.282 -7.484 1.00 30.44 H new ATOM 779 N ASP A 49 9.225 8.433 -4.223 1.00 50.43 N ATOM 780 CA ASP A 49 8.680 8.200 -2.874 1.00 42.04 C ATOM 781 C ASP A 49 7.554 7.144 -2.913 1.00 30.23 C ATOM 782 O ASP A 49 6.404 7.458 -3.229 1.00 54.34 O ATOM 783 CB ASP A 49 8.197 9.542 -2.227 1.00 42.13 C ATOM 784 CG ASP A 49 8.539 9.680 -0.732 1.00 53.04 C ATOM 785 OD1 ASP A 49 9.613 9.200 -0.298 1.00 2.11 O ATOM 786 OD2 ASP A 49 7.753 10.281 0.014 1.00 11.04 O ATOM 0 H ASP A 49 8.835 9.252 -4.689 1.00 50.43 H new ATOM 0 HA ASP A 49 9.477 7.805 -2.244 1.00 42.04 H new ATOM 0 HB2 ASP A 49 8.644 10.375 -2.769 1.00 42.13 H new ATOM 0 HB3 ASP A 49 7.117 9.624 -2.350 1.00 42.13 H new ATOM 791 N ALA A 50 7.926 5.898 -2.568 1.00 72.11 N ATOM 792 CA ALA A 50 7.083 4.692 -2.674 1.00 23.22 C ATOM 793 C ALA A 50 5.743 4.812 -1.927 1.00 12.24 C ATOM 794 O ALA A 50 4.707 4.443 -2.481 1.00 54.34 O ATOM 795 CB ALA A 50 7.870 3.472 -2.175 1.00 3.42 C ATOM 0 H ALA A 50 8.853 5.696 -2.195 1.00 72.11 H new ATOM 0 HA ALA A 50 6.828 4.572 -3.727 1.00 23.22 H new ATOM 0 HB1 ALA A 50 7.248 2.581 -2.253 1.00 3.42 H new ATOM 0 HB2 ALA A 50 8.766 3.343 -2.783 1.00 3.42 H new ATOM 0 HB3 ALA A 50 8.156 3.624 -1.134 1.00 3.42 H new ATOM 801 N LYS A 51 5.763 5.345 -0.680 1.00 31.12 N ATOM 802 CA LYS A 51 4.536 5.414 0.155 1.00 24.12 C ATOM 803 C LYS A 51 3.495 6.362 -0.455 1.00 42.23 C ATOM 804 O LYS A 51 2.308 6.164 -0.261 1.00 72.23 O ATOM 805 CB LYS A 51 4.809 5.779 1.652 1.00 4.42 C ATOM 806 CG LYS A 51 4.968 7.276 2.009 1.00 34.41 C ATOM 807 CD LYS A 51 6.342 7.867 1.648 1.00 43.55 C ATOM 808 CE LYS A 51 7.504 7.278 2.467 1.00 72.21 C ATOM 809 NZ LYS A 51 8.786 7.999 2.206 1.00 3.14 N ATOM 0 H LYS A 51 6.598 5.727 -0.236 1.00 31.12 H new ATOM 0 HA LYS A 51 4.131 4.402 0.159 1.00 24.12 H new ATOM 0 HB2 LYS A 51 3.991 5.376 2.250 1.00 4.42 H new ATOM 0 HB3 LYS A 51 5.716 5.262 1.963 1.00 4.42 H new ATOM 0 HG2 LYS A 51 4.194 7.845 1.495 1.00 34.41 H new ATOM 0 HG3 LYS A 51 4.800 7.403 3.078 1.00 34.41 H new ATOM 0 HD2 LYS A 51 6.533 7.697 0.588 1.00 43.55 H new ATOM 0 HD3 LYS A 51 6.314 8.946 1.798 1.00 43.55 H new ATOM 0 HE2 LYS A 51 7.265 7.333 3.529 1.00 72.21 H new ATOM 0 HE3 LYS A 51 7.624 6.223 2.222 1.00 72.21 H new ATOM 0 HZ1 LYS A 51 9.564 7.512 2.695 1.00 3.14 H new ATOM 0 HZ2 LYS A 51 8.975 8.012 1.183 1.00 3.14 H new ATOM 0 HZ3 LYS A 51 8.713 8.975 2.557 1.00 3.14 H new ATOM 823 N LEU A 52 3.966 7.364 -1.217 1.00 12.13 N ATOM 824 CA LEU A 52 3.096 8.342 -1.911 1.00 61.42 C ATOM 825 C LEU A 52 2.284 7.664 -3.029 1.00 62.22 C ATOM 826 O LEU A 52 1.123 8.029 -3.275 1.00 52.33 O ATOM 827 CB LEU A 52 3.943 9.552 -2.432 1.00 64.14 C ATOM 828 CG LEU A 52 3.959 10.817 -1.503 1.00 3.32 C ATOM 829 CD1 LEU A 52 2.561 11.464 -1.407 1.00 50.21 C ATOM 830 CD2 LEU A 52 4.506 10.504 -0.090 1.00 30.44 C ATOM 0 H LEU A 52 4.962 7.523 -1.372 1.00 12.13 H new ATOM 0 HA LEU A 52 2.372 8.738 -1.199 1.00 61.42 H new ATOM 0 HB2 LEU A 52 4.970 9.218 -2.578 1.00 64.14 H new ATOM 0 HB3 LEU A 52 3.561 9.846 -3.410 1.00 64.14 H new ATOM 0 HG LEU A 52 4.640 11.530 -1.967 1.00 3.32 H new ATOM 0 HD11 LEU A 52 2.608 12.337 -0.756 1.00 50.21 H new ATOM 0 HD12 LEU A 52 2.232 11.769 -2.400 1.00 50.21 H new ATOM 0 HD13 LEU A 52 1.854 10.743 -0.997 1.00 50.21 H new ATOM 0 HD21 LEU A 52 4.496 11.412 0.513 1.00 30.44 H new ATOM 0 HD22 LEU A 52 3.880 9.747 0.383 1.00 30.44 H new ATOM 0 HD23 LEU A 52 5.528 10.132 -0.169 1.00 30.44 H new ATOM 842 N TYR A 53 2.906 6.674 -3.686 1.00 44.41 N ATOM 843 CA TYR A 53 2.218 5.776 -4.633 1.00 60.14 C ATOM 844 C TYR A 53 1.235 4.882 -3.865 1.00 40.51 C ATOM 845 O TYR A 53 0.057 4.846 -4.175 1.00 32.35 O ATOM 846 CB TYR A 53 3.249 4.910 -5.407 1.00 21.10 C ATOM 847 CG TYR A 53 4.104 5.712 -6.407 1.00 64.24 C ATOM 848 CD1 TYR A 53 5.141 6.550 -5.979 1.00 21.11 C ATOM 849 CD2 TYR A 53 3.847 5.654 -7.773 1.00 45.41 C ATOM 850 CE1 TYR A 53 5.887 7.289 -6.883 1.00 23.50 C ATOM 851 CE2 TYR A 53 4.582 6.388 -8.676 1.00 52.34 C ATOM 852 CZ TYR A 53 5.598 7.205 -8.232 1.00 2.02 C ATOM 853 OH TYR A 53 6.331 7.925 -9.147 1.00 4.30 O ATOM 0 H TYR A 53 3.900 6.471 -3.578 1.00 44.41 H new ATOM 0 HA TYR A 53 1.667 6.374 -5.358 1.00 60.14 H new ATOM 0 HB2 TYR A 53 3.908 4.419 -4.691 1.00 21.10 H new ATOM 0 HB3 TYR A 53 2.719 4.123 -5.944 1.00 21.10 H new ATOM 0 HD1 TYR A 53 5.363 6.622 -4.925 1.00 21.11 H new ATOM 0 HD2 TYR A 53 3.052 5.018 -8.133 1.00 45.41 H new ATOM 0 HE1 TYR A 53 6.688 7.925 -6.536 1.00 23.50 H new ATOM 0 HE2 TYR A 53 4.362 6.323 -9.731 1.00 52.34 H new ATOM 0 HH TYR A 53 7.287 7.800 -8.971 1.00 4.30 H new ATOM 863 N SER A 54 1.748 4.239 -2.807 1.00 64.15 N ATOM 864 CA SER A 54 1.000 3.300 -1.948 1.00 30.21 C ATOM 865 C SER A 54 -0.224 3.956 -1.268 1.00 0.32 C ATOM 866 O SER A 54 -1.134 3.255 -0.815 1.00 52.32 O ATOM 867 CB SER A 54 1.964 2.742 -0.888 1.00 34.13 C ATOM 868 OG SER A 54 1.319 1.854 0.002 1.00 22.32 O ATOM 0 H SER A 54 2.718 4.358 -2.515 1.00 64.15 H new ATOM 0 HA SER A 54 0.608 2.500 -2.576 1.00 30.21 H new ATOM 0 HB2 SER A 54 2.786 2.225 -1.383 1.00 34.13 H new ATOM 0 HB3 SER A 54 2.399 3.567 -0.324 1.00 34.13 H new ATOM 0 HG SER A 54 1.916 1.104 0.206 1.00 22.32 H new ATOM 874 N ASN A 55 -0.201 5.299 -1.165 1.00 23.42 N ATOM 875 CA ASN A 55 -1.335 6.095 -0.664 1.00 44.44 C ATOM 876 C ASN A 55 -2.513 6.042 -1.648 1.00 25.51 C ATOM 877 O ASN A 55 -3.674 6.024 -1.236 1.00 15.23 O ATOM 878 CB ASN A 55 -0.915 7.566 -0.426 1.00 21.13 C ATOM 879 CG ASN A 55 0.008 7.767 0.770 1.00 43.42 C ATOM 880 OD1 ASN A 55 -0.032 7.010 1.739 1.00 32.11 O ATOM 881 ND2 ASN A 55 0.839 8.797 0.712 1.00 44.12 N ATOM 0 H ASN A 55 0.607 5.863 -1.428 1.00 23.42 H new ATOM 0 HA ASN A 55 -1.650 5.664 0.286 1.00 44.44 H new ATOM 0 HB2 ASN A 55 -0.418 7.939 -1.321 1.00 21.13 H new ATOM 0 HB3 ASN A 55 -1.811 8.170 -0.284 1.00 21.13 H new ATOM 0 HD21 ASN A 55 1.474 8.984 1.488 1.00 44.12 H new ATOM 0 HD22 ASN A 55 0.844 9.403 -0.108 1.00 44.12 H new ATOM 888 N ARG A 56 -2.189 6.025 -2.955 1.00 22.50 N ATOM 889 CA ARG A 56 -3.185 5.874 -4.034 1.00 71.24 C ATOM 890 C ARG A 56 -3.806 4.462 -3.965 1.00 23.41 C ATOM 891 O ARG A 56 -5.006 4.318 -4.139 1.00 51.12 O ATOM 892 CB ARG A 56 -2.542 6.122 -5.435 1.00 12.33 C ATOM 893 CG ARG A 56 -1.704 7.420 -5.545 1.00 21.42 C ATOM 894 CD ARG A 56 -1.031 7.577 -6.925 1.00 55.02 C ATOM 895 NE ARG A 56 -0.284 6.367 -7.325 1.00 23.13 N ATOM 896 CZ ARG A 56 0.343 6.179 -8.498 1.00 52.34 C ATOM 897 NH1 ARG A 56 0.374 7.123 -9.443 1.00 34.03 N ATOM 898 NH2 ARG A 56 0.891 5.001 -8.748 1.00 0.42 N ATOM 0 H ARG A 56 -1.231 6.115 -3.293 1.00 22.50 H new ATOM 0 HA ARG A 56 -3.967 6.621 -3.895 1.00 71.24 H new ATOM 0 HB2 ARG A 56 -1.905 5.273 -5.682 1.00 12.33 H new ATOM 0 HB3 ARG A 56 -3.335 6.154 -6.182 1.00 12.33 H new ATOM 0 HG2 ARG A 56 -2.347 8.280 -5.359 1.00 21.42 H new ATOM 0 HG3 ARG A 56 -0.938 7.420 -4.769 1.00 21.42 H new ATOM 0 HD2 ARG A 56 -1.791 7.796 -7.675 1.00 55.02 H new ATOM 0 HD3 ARG A 56 -0.352 8.429 -6.901 1.00 55.02 H new ATOM 0 HE ARG A 56 -0.240 5.605 -6.649 1.00 23.13 H new ATOM 0 HH11 ARG A 56 -0.087 8.019 -9.284 1.00 34.03 H new ATOM 0 HH12 ARG A 56 0.859 6.948 -10.323 1.00 34.03 H new ATOM 0 HH21 ARG A 56 0.833 4.254 -8.056 1.00 0.42 H new ATOM 0 HH22 ARG A 56 1.371 4.840 -9.633 1.00 0.42 H new ATOM 912 N ALA A 57 -2.963 3.435 -3.672 1.00 43.04 N ATOM 913 CA ALA A 57 -3.426 2.041 -3.428 1.00 3.20 C ATOM 914 C ALA A 57 -4.335 1.957 -2.191 1.00 23.11 C ATOM 915 O ALA A 57 -5.329 1.234 -2.195 1.00 41.12 O ATOM 916 CB ALA A 57 -2.231 1.088 -3.256 1.00 40.33 C ATOM 0 H ALA A 57 -1.952 3.548 -3.599 1.00 43.04 H new ATOM 0 HA ALA A 57 -4.002 1.737 -4.302 1.00 3.20 H new ATOM 0 HB1 ALA A 57 -2.595 0.076 -3.079 1.00 40.33 H new ATOM 0 HB2 ALA A 57 -1.622 1.101 -4.160 1.00 40.33 H new ATOM 0 HB3 ALA A 57 -1.628 1.410 -2.407 1.00 40.33 H new ATOM 922 N ALA A 58 -3.969 2.717 -1.141 1.00 15.14 N ATOM 923 CA ALA A 58 -4.746 2.812 0.114 1.00 64.11 C ATOM 924 C ALA A 58 -6.105 3.490 -0.125 1.00 4.45 C ATOM 925 O ALA A 58 -7.088 3.205 0.578 1.00 42.30 O ATOM 926 CB ALA A 58 -3.934 3.564 1.177 1.00 33.21 C ATOM 0 H ALA A 58 -3.122 3.286 -1.138 1.00 15.14 H new ATOM 0 HA ALA A 58 -4.944 1.803 0.476 1.00 64.11 H new ATOM 0 HB1 ALA A 58 -4.513 3.630 2.098 1.00 33.21 H new ATOM 0 HB2 ALA A 58 -3.004 3.029 1.370 1.00 33.21 H new ATOM 0 HB3 ALA A 58 -3.707 4.568 0.819 1.00 33.21 H new ATOM 932 N CYS A 59 -6.148 4.387 -1.130 1.00 1.15 N ATOM 933 CA CYS A 59 -7.402 4.966 -1.614 1.00 54.44 C ATOM 934 C CYS A 59 -8.208 3.886 -2.371 1.00 43.43 C ATOM 935 O CYS A 59 -9.349 3.605 -2.012 1.00 2.00 O ATOM 936 CB CYS A 59 -7.119 6.187 -2.520 1.00 62.24 C ATOM 937 SG CYS A 59 -6.222 7.526 -1.699 1.00 21.51 S ATOM 0 H CYS A 59 -5.319 4.723 -1.620 1.00 1.15 H new ATOM 0 HA CYS A 59 -7.992 5.313 -0.766 1.00 54.44 H new ATOM 0 HB2 CYS A 59 -6.545 5.858 -3.386 1.00 62.24 H new ATOM 0 HB3 CYS A 59 -8.066 6.575 -2.894 1.00 62.24 H new ATOM 0 HG CYS A 59 -4.986 7.169 -1.510 1.00 21.51 H new ATOM 943 N TYR A 60 -7.544 3.216 -3.349 1.00 43.23 N ATOM 944 CA TYR A 60 -8.181 2.230 -4.258 1.00 25.22 C ATOM 945 C TYR A 60 -8.856 1.080 -3.494 1.00 30.24 C ATOM 946 O TYR A 60 -9.944 0.655 -3.869 1.00 54.24 O ATOM 947 CB TYR A 60 -7.154 1.662 -5.268 1.00 75.14 C ATOM 948 CG TYR A 60 -6.616 2.678 -6.293 1.00 71.32 C ATOM 949 CD1 TYR A 60 -7.434 3.679 -6.840 1.00 61.03 C ATOM 950 CD2 TYR A 60 -5.297 2.603 -6.747 1.00 2.51 C ATOM 951 CE1 TYR A 60 -6.946 4.557 -7.793 1.00 2.12 C ATOM 952 CE2 TYR A 60 -4.811 3.483 -7.692 1.00 43.34 C ATOM 953 CZ TYR A 60 -5.637 4.456 -8.215 1.00 41.24 C ATOM 954 OH TYR A 60 -5.154 5.339 -9.167 1.00 30.11 O ATOM 0 H TYR A 60 -6.548 3.346 -3.529 1.00 43.23 H new ATOM 0 HA TYR A 60 -8.958 2.767 -4.802 1.00 25.22 H new ATOM 0 HB2 TYR A 60 -6.312 1.249 -4.713 1.00 75.14 H new ATOM 0 HB3 TYR A 60 -7.617 0.835 -5.807 1.00 75.14 H new ATOM 0 HD1 TYR A 60 -8.460 3.766 -6.513 1.00 61.03 H new ATOM 0 HD2 TYR A 60 -4.644 1.840 -6.350 1.00 2.51 H new ATOM 0 HE1 TYR A 60 -7.590 5.320 -8.205 1.00 2.12 H new ATOM 0 HE2 TYR A 60 -3.785 3.410 -8.022 1.00 43.34 H new ATOM 0 HH TYR A 60 -4.214 5.135 -9.355 1.00 30.11 H new ATOM 964 N THR A 61 -8.209 0.612 -2.414 1.00 65.12 N ATOM 965 CA THR A 61 -8.787 -0.403 -1.517 1.00 75.14 C ATOM 966 C THR A 61 -10.100 0.121 -0.889 1.00 63.22 C ATOM 967 O THR A 61 -11.124 -0.570 -0.908 1.00 12.13 O ATOM 968 CB THR A 61 -7.778 -0.808 -0.388 1.00 73.54 C ATOM 969 OG1 THR A 61 -7.267 0.369 0.257 1.00 25.23 O ATOM 970 CG2 THR A 61 -6.600 -1.636 -0.931 1.00 22.13 C ATOM 0 H THR A 61 -7.277 0.924 -2.139 1.00 65.12 H new ATOM 0 HA THR A 61 -9.003 -1.290 -2.113 1.00 75.14 H new ATOM 0 HB THR A 61 -8.324 -1.425 0.325 1.00 73.54 H new ATOM 0 HG1 THR A 61 -6.638 0.109 0.962 1.00 25.23 H new ATOM 0 HG21 THR A 61 -5.928 -1.893 -0.112 1.00 22.13 H new ATOM 0 HG22 THR A 61 -6.978 -2.549 -1.390 1.00 22.13 H new ATOM 0 HG23 THR A 61 -6.058 -1.053 -1.676 1.00 22.13 H new ATOM 978 N LYS A 62 -10.065 1.397 -0.433 1.00 32.43 N ATOM 979 CA LYS A 62 -11.193 2.056 0.245 1.00 51.10 C ATOM 980 C LYS A 62 -12.335 2.339 -0.754 1.00 12.24 C ATOM 981 O LYS A 62 -13.508 2.414 -0.386 1.00 72.50 O ATOM 982 CB LYS A 62 -10.689 3.375 0.901 1.00 62.21 C ATOM 983 CG LYS A 62 -11.701 4.038 1.852 1.00 14.35 C ATOM 984 CD LYS A 62 -12.042 3.128 3.052 1.00 74.22 C ATOM 985 CE LYS A 62 -13.131 3.720 3.957 1.00 14.41 C ATOM 986 NZ LYS A 62 -13.377 2.858 5.144 1.00 61.10 N ATOM 0 H LYS A 62 -9.245 1.996 -0.529 1.00 32.43 H new ATOM 0 HA LYS A 62 -11.588 1.399 1.019 1.00 51.10 H new ATOM 0 HB2 LYS A 62 -9.773 3.165 1.453 1.00 62.21 H new ATOM 0 HB3 LYS A 62 -10.431 4.083 0.113 1.00 62.21 H new ATOM 0 HG2 LYS A 62 -11.294 4.981 2.216 1.00 14.35 H new ATOM 0 HG3 LYS A 62 -12.613 4.274 1.304 1.00 14.35 H new ATOM 0 HD2 LYS A 62 -12.371 2.156 2.683 1.00 74.22 H new ATOM 0 HD3 LYS A 62 -11.140 2.957 3.640 1.00 74.22 H new ATOM 0 HE2 LYS A 62 -12.833 4.716 4.284 1.00 14.41 H new ATOM 0 HE3 LYS A 62 -14.055 3.834 3.390 1.00 14.41 H new ATOM 0 HZ1 LYS A 62 -14.118 3.285 5.736 1.00 61.10 H new ATOM 0 HZ2 LYS A 62 -13.685 1.915 4.831 1.00 61.10 H new ATOM 0 HZ3 LYS A 62 -12.500 2.770 5.697 1.00 61.10 H new ATOM 1000 N LEU A 63 -11.961 2.470 -2.027 1.00 75.53 N ATOM 1001 CA LEU A 63 -12.896 2.720 -3.130 1.00 51.43 C ATOM 1002 C LEU A 63 -13.392 1.386 -3.735 1.00 64.33 C ATOM 1003 O LEU A 63 -14.229 1.407 -4.637 1.00 2.33 O ATOM 1004 CB LEU A 63 -12.203 3.606 -4.208 1.00 2.25 C ATOM 1005 CG LEU A 63 -11.655 4.988 -3.714 1.00 54.33 C ATOM 1006 CD1 LEU A 63 -10.974 5.767 -4.859 1.00 31.03 C ATOM 1007 CD2 LEU A 63 -12.757 5.820 -3.029 1.00 74.51 C ATOM 0 H LEU A 63 -10.988 2.405 -2.327 1.00 75.53 H new ATOM 0 HA LEU A 63 -13.768 3.252 -2.750 1.00 51.43 H new ATOM 0 HB2 LEU A 63 -11.375 3.041 -4.636 1.00 2.25 H new ATOM 0 HB3 LEU A 63 -12.915 3.787 -5.013 1.00 2.25 H new ATOM 0 HG LEU A 63 -10.891 4.789 -2.963 1.00 54.33 H new ATOM 0 HD11 LEU A 63 -10.605 6.721 -4.481 1.00 31.03 H new ATOM 0 HD12 LEU A 63 -10.140 5.184 -5.249 1.00 31.03 H new ATOM 0 HD13 LEU A 63 -11.695 5.947 -5.656 1.00 31.03 H new ATOM 0 HD21 LEU A 63 -12.342 6.772 -2.699 1.00 74.51 H new ATOM 0 HD22 LEU A 63 -13.567 6.003 -3.735 1.00 74.51 H new ATOM 0 HD23 LEU A 63 -13.143 5.274 -2.168 1.00 74.51 H new ATOM 1019 N LEU A 64 -12.865 0.236 -3.212 1.00 22.23 N ATOM 1020 CA LEU A 64 -13.204 -1.140 -3.676 1.00 21.33 C ATOM 1021 C LEU A 64 -12.573 -1.454 -5.058 1.00 32.44 C ATOM 1022 O LEU A 64 -12.836 -2.509 -5.640 1.00 1.52 O ATOM 1023 CB LEU A 64 -14.747 -1.431 -3.655 1.00 43.12 C ATOM 1024 CG LEU A 64 -15.429 -1.645 -2.249 1.00 71.21 C ATOM 1025 CD1 LEU A 64 -14.818 -2.853 -1.504 1.00 60.41 C ATOM 1026 CD2 LEU A 64 -15.408 -0.366 -1.369 1.00 65.24 C ATOM 0 H LEU A 64 -12.187 0.243 -2.450 1.00 22.23 H new ATOM 0 HA LEU A 64 -12.759 -1.823 -2.953 1.00 21.33 H new ATOM 0 HB2 LEU A 64 -15.252 -0.602 -4.151 1.00 43.12 H new ATOM 0 HB3 LEU A 64 -14.929 -2.322 -4.256 1.00 43.12 H new ATOM 0 HG LEU A 64 -16.478 -1.867 -2.445 1.00 71.21 H new ATOM 0 HD11 LEU A 64 -15.311 -2.972 -0.539 1.00 60.41 H new ATOM 0 HD12 LEU A 64 -14.959 -3.756 -2.098 1.00 60.41 H new ATOM 0 HD13 LEU A 64 -13.752 -2.684 -1.349 1.00 60.41 H new ATOM 0 HD21 LEU A 64 -15.891 -0.573 -0.414 1.00 65.24 H new ATOM 0 HD22 LEU A 64 -14.376 -0.061 -1.195 1.00 65.24 H new ATOM 0 HD23 LEU A 64 -15.942 0.435 -1.879 1.00 65.24 H new ATOM 1038 N GLU A 65 -11.704 -0.547 -5.540 1.00 21.43 N ATOM 1039 CA GLU A 65 -10.918 -0.721 -6.774 1.00 0.20 C ATOM 1040 C GLU A 65 -9.595 -1.472 -6.468 1.00 13.15 C ATOM 1041 O GLU A 65 -8.500 -1.017 -6.834 1.00 14.52 O ATOM 1042 CB GLU A 65 -10.650 0.668 -7.451 1.00 74.04 C ATOM 1043 CG GLU A 65 -11.779 1.197 -8.374 1.00 4.34 C ATOM 1044 CD GLU A 65 -13.101 1.547 -7.660 1.00 71.11 C ATOM 1045 OE1 GLU A 65 -13.979 0.664 -7.531 1.00 61.34 O ATOM 1046 OE2 GLU A 65 -13.281 2.715 -7.250 1.00 22.33 O ATOM 0 H GLU A 65 -11.526 0.343 -5.074 1.00 21.43 H new ATOM 0 HA GLU A 65 -11.489 -1.327 -7.477 1.00 0.20 H new ATOM 0 HB2 GLU A 65 -10.472 1.405 -6.668 1.00 74.04 H new ATOM 0 HB3 GLU A 65 -9.733 0.595 -8.035 1.00 74.04 H new ATOM 0 HG2 GLU A 65 -11.417 2.086 -8.891 1.00 4.34 H new ATOM 0 HG3 GLU A 65 -11.984 0.446 -9.137 1.00 4.34 H new ATOM 1053 N PHE A 66 -9.720 -2.659 -5.839 1.00 43.40 N ATOM 1054 CA PHE A 66 -8.572 -3.494 -5.427 1.00 31.31 C ATOM 1055 C PHE A 66 -7.698 -3.927 -6.626 1.00 25.13 C ATOM 1056 O PHE A 66 -6.510 -4.163 -6.445 1.00 34.31 O ATOM 1057 CB PHE A 66 -9.046 -4.747 -4.654 1.00 43.14 C ATOM 1058 CG PHE A 66 -9.532 -4.512 -3.225 1.00 62.34 C ATOM 1059 CD1 PHE A 66 -10.835 -4.094 -2.960 1.00 32.01 C ATOM 1060 CD2 PHE A 66 -8.681 -4.736 -2.140 1.00 42.11 C ATOM 1061 CE1 PHE A 66 -11.265 -3.907 -1.659 1.00 14.23 C ATOM 1062 CE2 PHE A 66 -9.117 -4.554 -0.840 1.00 0.42 C ATOM 1063 CZ PHE A 66 -10.409 -4.137 -0.601 1.00 20.35 C ATOM 0 H PHE A 66 -10.624 -3.067 -5.601 1.00 43.40 H new ATOM 0 HA PHE A 66 -7.961 -2.873 -4.772 1.00 31.31 H new ATOM 0 HB2 PHE A 66 -9.854 -5.213 -5.219 1.00 43.14 H new ATOM 0 HB3 PHE A 66 -8.224 -5.462 -4.623 1.00 43.14 H new ATOM 0 HD1 PHE A 66 -11.516 -3.914 -3.779 1.00 32.01 H new ATOM 0 HD2 PHE A 66 -7.665 -5.057 -2.319 1.00 42.11 H new ATOM 0 HE1 PHE A 66 -12.276 -3.579 -1.470 1.00 14.23 H new ATOM 0 HE2 PHE A 66 -8.446 -4.738 -0.014 1.00 0.42 H new ATOM 0 HZ PHE A 66 -10.751 -3.990 0.413 1.00 20.35 H new ATOM 1073 N GLN A 67 -8.300 -4.023 -7.834 1.00 62.44 N ATOM 1074 CA GLN A 67 -7.560 -4.307 -9.091 1.00 64.24 C ATOM 1075 C GLN A 67 -6.503 -3.217 -9.347 1.00 23.00 C ATOM 1076 O GLN A 67 -5.390 -3.509 -9.798 1.00 61.34 O ATOM 1077 CB GLN A 67 -8.529 -4.365 -10.299 1.00 50.23 C ATOM 1078 CG GLN A 67 -9.583 -5.483 -10.246 1.00 54.11 C ATOM 1079 CD GLN A 67 -9.012 -6.884 -10.450 1.00 64.22 C ATOM 1080 OE1 GLN A 67 -8.969 -7.392 -11.572 1.00 64.23 O ATOM 1081 NE2 GLN A 67 -8.535 -7.505 -9.381 1.00 33.21 N ATOM 0 H GLN A 67 -9.305 -3.907 -7.967 1.00 62.44 H new ATOM 0 HA GLN A 67 -7.070 -5.274 -8.979 1.00 64.24 H new ATOM 0 HB2 GLN A 67 -9.044 -3.407 -10.377 1.00 50.23 H new ATOM 0 HB3 GLN A 67 -7.941 -4.486 -11.209 1.00 50.23 H new ATOM 0 HG2 GLN A 67 -10.090 -5.445 -9.282 1.00 54.11 H new ATOM 0 HG3 GLN A 67 -10.337 -5.294 -11.010 1.00 54.11 H new ATOM 0 HE21 GLN A 67 -8.586 -7.057 -8.466 1.00 33.21 H new ATOM 0 HE22 GLN A 67 -8.117 -8.431 -9.473 1.00 33.21 H new ATOM 1090 N LEU A 68 -6.878 -1.959 -9.028 1.00 2.14 N ATOM 1091 CA LEU A 68 -5.993 -0.803 -9.206 1.00 14.42 C ATOM 1092 C LEU A 68 -4.962 -0.765 -8.069 1.00 32.14 C ATOM 1093 O LEU A 68 -3.824 -0.374 -8.285 1.00 11.13 O ATOM 1094 CB LEU A 68 -6.795 0.522 -9.264 1.00 32.55 C ATOM 1095 CG LEU A 68 -7.915 0.639 -10.347 1.00 12.41 C ATOM 1096 CD1 LEU A 68 -8.444 2.090 -10.419 1.00 1.44 C ATOM 1097 CD2 LEU A 68 -7.449 0.131 -11.730 1.00 73.35 C ATOM 0 H LEU A 68 -7.794 -1.725 -8.645 1.00 2.14 H new ATOM 0 HA LEU A 68 -5.474 -0.909 -10.159 1.00 14.42 H new ATOM 0 HB2 LEU A 68 -7.253 0.681 -8.288 1.00 32.55 H new ATOM 0 HB3 LEU A 68 -6.088 1.337 -9.421 1.00 32.55 H new ATOM 0 HG LEU A 68 -8.737 -0.011 -10.045 1.00 12.41 H new ATOM 0 HD11 LEU A 68 -9.224 2.156 -11.178 1.00 1.44 H new ATOM 0 HD12 LEU A 68 -8.855 2.376 -9.451 1.00 1.44 H new ATOM 0 HD13 LEU A 68 -7.627 2.763 -10.679 1.00 1.44 H new ATOM 0 HD21 LEU A 68 -8.263 0.233 -12.448 1.00 73.35 H new ATOM 0 HD22 LEU A 68 -6.594 0.719 -12.064 1.00 73.35 H new ATOM 0 HD23 LEU A 68 -7.161 -0.918 -11.654 1.00 73.35 H new ATOM 1109 N ALA A 69 -5.389 -1.201 -6.867 1.00 65.53 N ATOM 1110 CA ALA A 69 -4.515 -1.297 -5.677 1.00 21.32 C ATOM 1111 C ALA A 69 -3.413 -2.356 -5.872 1.00 32.45 C ATOM 1112 O ALA A 69 -2.310 -2.210 -5.328 1.00 2.05 O ATOM 1113 CB ALA A 69 -5.351 -1.609 -4.428 1.00 25.42 C ATOM 0 H ALA A 69 -6.349 -1.497 -6.692 1.00 65.53 H new ATOM 0 HA ALA A 69 -4.025 -0.333 -5.540 1.00 21.32 H new ATOM 0 HB1 ALA A 69 -4.696 -1.677 -3.559 1.00 25.42 H new ATOM 0 HB2 ALA A 69 -6.081 -0.815 -4.271 1.00 25.42 H new ATOM 0 HB3 ALA A 69 -5.871 -2.557 -4.566 1.00 25.42 H new ATOM 1119 N LEU A 70 -3.731 -3.424 -6.646 1.00 43.20 N ATOM 1120 CA LEU A 70 -2.749 -4.451 -7.044 1.00 53.10 C ATOM 1121 C LEU A 70 -1.642 -3.805 -7.896 1.00 34.01 C ATOM 1122 O LEU A 70 -0.491 -3.732 -7.463 1.00 10.44 O ATOM 1123 CB LEU A 70 -3.430 -5.616 -7.833 1.00 74.01 C ATOM 1124 CG LEU A 70 -4.469 -6.486 -7.059 1.00 4.14 C ATOM 1125 CD1 LEU A 70 -5.172 -7.481 -8.006 1.00 1.03 C ATOM 1126 CD2 LEU A 70 -3.824 -7.221 -5.865 1.00 10.20 C ATOM 0 H LEU A 70 -4.670 -3.592 -7.007 1.00 43.20 H new ATOM 0 HA LEU A 70 -2.311 -4.875 -6.140 1.00 53.10 H new ATOM 0 HB2 LEU A 70 -3.928 -5.189 -8.704 1.00 74.01 H new ATOM 0 HB3 LEU A 70 -2.646 -6.276 -8.205 1.00 74.01 H new ATOM 0 HG LEU A 70 -5.223 -5.810 -6.656 1.00 4.14 H new ATOM 0 HD11 LEU A 70 -5.891 -8.075 -7.441 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -5.692 -6.931 -8.790 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -4.430 -8.141 -8.456 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -4.580 -7.816 -5.352 1.00 10.20 H new ATOM 0 HD22 LEU A 70 -3.031 -7.876 -6.226 1.00 10.20 H new ATOM 0 HD23 LEU A 70 -3.405 -6.491 -5.172 1.00 10.20 H new ATOM 1138 N LYS A 71 -2.038 -3.272 -9.078 1.00 33.52 N ATOM 1139 CA LYS A 71 -1.091 -2.718 -10.079 1.00 62.25 C ATOM 1140 C LYS A 71 -0.310 -1.502 -9.532 1.00 63.11 C ATOM 1141 O LYS A 71 0.859 -1.302 -9.883 1.00 2.24 O ATOM 1142 CB LYS A 71 -1.825 -2.363 -11.403 1.00 1.43 C ATOM 1143 CG LYS A 71 -2.911 -1.272 -11.276 1.00 40.12 C ATOM 1144 CD LYS A 71 -3.745 -1.082 -12.569 1.00 64.22 C ATOM 1145 CE LYS A 71 -4.583 -2.317 -12.949 1.00 52.03 C ATOM 1146 NZ LYS A 71 -5.308 -2.127 -14.242 1.00 41.23 N ATOM 0 H LYS A 71 -3.015 -3.214 -9.364 1.00 33.52 H new ATOM 0 HA LYS A 71 -0.359 -3.496 -10.293 1.00 62.25 H new ATOM 0 HB2 LYS A 71 -1.086 -2.035 -12.134 1.00 1.43 H new ATOM 0 HB3 LYS A 71 -2.285 -3.268 -11.799 1.00 1.43 H new ATOM 0 HG2 LYS A 71 -3.580 -1.529 -10.455 1.00 40.12 H new ATOM 0 HG3 LYS A 71 -2.437 -0.326 -11.016 1.00 40.12 H new ATOM 0 HD2 LYS A 71 -4.410 -0.228 -12.440 1.00 64.22 H new ATOM 0 HD3 LYS A 71 -3.073 -0.842 -13.393 1.00 64.22 H new ATOM 0 HE2 LYS A 71 -3.932 -3.188 -13.023 1.00 52.03 H new ATOM 0 HE3 LYS A 71 -5.303 -2.524 -12.157 1.00 52.03 H new ATOM 0 HZ1 LYS A 71 -5.859 -2.982 -14.460 1.00 41.23 H new ATOM 0 HZ2 LYS A 71 -5.949 -1.312 -14.164 1.00 41.23 H new ATOM 0 HZ3 LYS A 71 -4.621 -1.955 -15.003 1.00 41.23 H new ATOM 1160 N ASP A 72 -0.957 -0.723 -8.646 1.00 65.00 N ATOM 1161 CA ASP A 72 -0.334 0.433 -7.970 1.00 52.02 C ATOM 1162 C ASP A 72 0.806 -0.037 -7.052 1.00 61.41 C ATOM 1163 O ASP A 72 1.888 0.550 -7.035 1.00 71.42 O ATOM 1164 CB ASP A 72 -1.397 1.206 -7.145 1.00 4.44 C ATOM 1165 CG ASP A 72 -0.842 2.492 -6.506 1.00 42.42 C ATOM 1166 OD1 ASP A 72 -0.166 2.418 -5.456 1.00 41.40 O ATOM 1167 OD2 ASP A 72 -1.084 3.585 -7.056 1.00 32.44 O ATOM 0 H ASP A 72 -1.929 -0.877 -8.377 1.00 65.00 H new ATOM 0 HA ASP A 72 0.078 1.099 -8.728 1.00 52.02 H new ATOM 0 HB2 ASP A 72 -2.236 1.461 -7.792 1.00 4.44 H new ATOM 0 HB3 ASP A 72 -1.785 0.555 -6.361 1.00 4.44 H new ATOM 1172 N CYS A 73 0.542 -1.103 -6.283 1.00 44.42 N ATOM 1173 CA CYS A 73 1.549 -1.714 -5.402 1.00 21.53 C ATOM 1174 C CYS A 73 2.628 -2.440 -6.229 1.00 60.41 C ATOM 1175 O CYS A 73 3.777 -2.537 -5.796 1.00 65.44 O ATOM 1176 CB CYS A 73 0.886 -2.683 -4.409 1.00 0.20 C ATOM 1177 SG CYS A 73 2.035 -3.433 -3.231 1.00 25.41 S ATOM 0 H CYS A 73 -0.368 -1.563 -6.253 1.00 44.42 H new ATOM 0 HA CYS A 73 2.031 -0.918 -4.834 1.00 21.53 H new ATOM 0 HB2 CYS A 73 0.114 -2.148 -3.856 1.00 0.20 H new ATOM 0 HB3 CYS A 73 0.387 -3.475 -4.968 1.00 0.20 H new ATOM 0 HG CYS A 73 1.624 -3.205 -2.019 1.00 25.41 H new ATOM 1183 N GLU A 74 2.240 -2.929 -7.430 1.00 64.40 N ATOM 1184 CA GLU A 74 3.152 -3.642 -8.346 1.00 52.43 C ATOM 1185 C GLU A 74 4.177 -2.691 -8.977 1.00 12.41 C ATOM 1186 O GLU A 74 5.281 -3.117 -9.309 1.00 14.20 O ATOM 1187 CB GLU A 74 2.360 -4.418 -9.438 1.00 14.11 C ATOM 1188 CG GLU A 74 1.582 -5.631 -8.888 1.00 31.43 C ATOM 1189 CD GLU A 74 0.784 -6.389 -9.956 1.00 4.22 C ATOM 1190 OE1 GLU A 74 -0.362 -5.995 -10.250 1.00 63.13 O ATOM 1191 OE2 GLU A 74 1.302 -7.388 -10.512 1.00 32.25 O ATOM 0 H GLU A 74 1.289 -2.839 -7.787 1.00 64.40 H new ATOM 0 HA GLU A 74 3.705 -4.370 -7.752 1.00 52.43 H new ATOM 0 HB2 GLU A 74 1.660 -3.736 -9.921 1.00 14.11 H new ATOM 0 HB3 GLU A 74 3.054 -4.759 -10.206 1.00 14.11 H new ATOM 0 HG2 GLU A 74 2.284 -6.318 -8.416 1.00 31.43 H new ATOM 0 HG3 GLU A 74 0.898 -5.290 -8.110 1.00 31.43 H new ATOM 1198 N GLU A 75 3.826 -1.405 -9.155 1.00 64.40 N ATOM 1199 CA GLU A 75 4.806 -0.400 -9.618 1.00 61.54 C ATOM 1200 C GLU A 75 5.619 0.134 -8.422 1.00 11.14 C ATOM 1201 O GLU A 75 6.846 0.276 -8.520 1.00 64.12 O ATOM 1202 CB GLU A 75 4.131 0.741 -10.425 1.00 4.44 C ATOM 1203 CG GLU A 75 3.100 1.584 -9.656 1.00 11.01 C ATOM 1204 CD GLU A 75 2.488 2.723 -10.491 1.00 62.41 C ATOM 1205 OE1 GLU A 75 1.484 2.492 -11.192 1.00 43.24 O ATOM 1206 OE2 GLU A 75 3.014 3.855 -10.448 1.00 45.12 O ATOM 0 H GLU A 75 2.888 -1.039 -8.989 1.00 64.40 H new ATOM 0 HA GLU A 75 5.497 -0.886 -10.307 1.00 61.54 H new ATOM 0 HB2 GLU A 75 4.910 1.406 -10.799 1.00 4.44 H new ATOM 0 HB3 GLU A 75 3.640 0.304 -11.294 1.00 4.44 H new ATOM 0 HG2 GLU A 75 2.300 0.932 -9.305 1.00 11.01 H new ATOM 0 HG3 GLU A 75 3.577 2.008 -8.772 1.00 11.01 H new ATOM 1213 N CYS A 76 4.933 0.333 -7.271 1.00 13.44 N ATOM 1214 CA CYS A 76 5.547 0.835 -6.013 1.00 21.12 C ATOM 1215 C CYS A 76 6.700 -0.072 -5.525 1.00 23.43 C ATOM 1216 O CYS A 76 7.707 0.416 -4.999 1.00 55.00 O ATOM 1217 CB CYS A 76 4.470 0.962 -4.906 1.00 12.21 C ATOM 1218 SG CYS A 76 5.092 1.534 -3.306 1.00 75.20 S ATOM 0 H CYS A 76 3.933 0.150 -7.186 1.00 13.44 H new ATOM 0 HA CYS A 76 5.969 1.817 -6.228 1.00 21.12 H new ATOM 0 HB2 CYS A 76 3.698 1.651 -5.247 1.00 12.21 H new ATOM 0 HB3 CYS A 76 3.993 -0.009 -4.769 1.00 12.21 H new ATOM 0 HG CYS A 76 4.842 2.803 -3.171 1.00 75.20 H new ATOM 1224 N ILE A 77 6.542 -1.389 -5.739 1.00 3.50 N ATOM 1225 CA ILE A 77 7.544 -2.399 -5.349 1.00 51.41 C ATOM 1226 C ILE A 77 8.704 -2.434 -6.384 1.00 42.03 C ATOM 1227 O ILE A 77 9.809 -2.867 -6.069 1.00 42.24 O ATOM 1228 CB ILE A 77 6.854 -3.811 -5.146 1.00 32.44 C ATOM 1229 CG1 ILE A 77 7.726 -4.830 -4.314 1.00 72.22 C ATOM 1230 CG2 ILE A 77 6.423 -4.429 -6.493 1.00 70.13 C ATOM 1231 CD1 ILE A 77 8.744 -5.674 -5.085 1.00 24.32 C ATOM 0 H ILE A 77 5.716 -1.785 -6.187 1.00 3.50 H new ATOM 0 HA ILE A 77 7.985 -2.125 -4.390 1.00 51.41 H new ATOM 0 HB ILE A 77 5.962 -3.616 -4.550 1.00 32.44 H new ATOM 0 HG12 ILE A 77 8.263 -4.269 -3.549 1.00 72.22 H new ATOM 0 HG13 ILE A 77 7.049 -5.509 -3.795 1.00 72.22 H new ATOM 0 HG21 ILE A 77 5.954 -5.397 -6.316 1.00 70.13 H new ATOM 0 HG22 ILE A 77 5.713 -3.766 -6.987 1.00 70.13 H new ATOM 0 HG23 ILE A 77 7.298 -4.561 -7.129 1.00 70.13 H new ATOM 0 HD11 ILE A 77 9.273 -6.329 -4.392 1.00 24.32 H new ATOM 0 HD12 ILE A 77 8.226 -6.277 -5.831 1.00 24.32 H new ATOM 0 HD13 ILE A 77 9.459 -5.018 -5.581 1.00 24.32 H new ATOM 1243 N GLN A 78 8.457 -1.959 -7.626 1.00 31.11 N ATOM 1244 CA GLN A 78 9.523 -1.864 -8.652 1.00 2.44 C ATOM 1245 C GLN A 78 10.367 -0.599 -8.420 1.00 25.43 C ATOM 1246 O GLN A 78 11.531 -0.548 -8.811 1.00 35.30 O ATOM 1247 CB GLN A 78 8.927 -1.898 -10.093 1.00 25.30 C ATOM 1248 CG GLN A 78 8.211 -3.216 -10.457 1.00 25.02 C ATOM 1249 CD GLN A 78 9.082 -4.471 -10.285 1.00 52.21 C ATOM 1250 OE1 GLN A 78 9.783 -4.892 -11.206 1.00 4.42 O ATOM 1251 NE2 GLN A 78 9.047 -5.069 -9.111 1.00 72.15 N ATOM 0 H GLN A 78 7.541 -1.639 -7.941 1.00 31.11 H new ATOM 0 HA GLN A 78 10.175 -2.733 -8.556 1.00 2.44 H new ATOM 0 HB2 GLN A 78 8.222 -1.074 -10.201 1.00 25.30 H new ATOM 0 HB3 GLN A 78 9.730 -1.726 -10.809 1.00 25.30 H new ATOM 0 HG2 GLN A 78 7.321 -3.317 -9.836 1.00 25.02 H new ATOM 0 HG3 GLN A 78 7.874 -3.160 -11.492 1.00 25.02 H new ATOM 0 HE21 GLN A 78 8.457 -4.697 -8.367 1.00 72.15 H new ATOM 0 HE22 GLN A 78 9.610 -5.903 -8.947 1.00 72.15 H new ATOM 1260 N LEU A 79 9.757 0.410 -7.774 1.00 1.31 N ATOM 1261 CA LEU A 79 10.457 1.628 -7.330 1.00 53.03 C ATOM 1262 C LEU A 79 11.330 1.304 -6.115 1.00 64.22 C ATOM 1263 O LEU A 79 12.540 1.557 -6.105 1.00 54.25 O ATOM 1264 CB LEU A 79 9.429 2.727 -6.946 1.00 74.43 C ATOM 1265 CG LEU A 79 8.471 3.184 -8.076 1.00 21.41 C ATOM 1266 CD1 LEU A 79 7.392 4.123 -7.516 1.00 61.33 C ATOM 1267 CD2 LEU A 79 9.255 3.844 -9.229 1.00 51.30 C ATOM 0 H LEU A 79 8.763 0.404 -7.545 1.00 1.31 H new ATOM 0 HA LEU A 79 11.082 1.993 -8.145 1.00 53.03 H new ATOM 0 HB2 LEU A 79 8.829 2.360 -6.113 1.00 74.43 H new ATOM 0 HB3 LEU A 79 9.976 3.598 -6.585 1.00 74.43 H new ATOM 0 HG LEU A 79 7.971 2.306 -8.484 1.00 21.41 H new ATOM 0 HD11 LEU A 79 6.727 4.435 -8.322 1.00 61.33 H new ATOM 0 HD12 LEU A 79 6.816 3.601 -6.752 1.00 61.33 H new ATOM 0 HD13 LEU A 79 7.866 5.001 -7.076 1.00 61.33 H new ATOM 0 HD21 LEU A 79 8.561 4.156 -10.009 1.00 51.30 H new ATOM 0 HD22 LEU A 79 9.792 4.714 -8.852 1.00 51.30 H new ATOM 0 HD23 LEU A 79 9.967 3.129 -9.641 1.00 51.30 H new ATOM 1279 N GLU A 80 10.678 0.716 -5.107 1.00 22.34 N ATOM 1280 CA GLU A 80 11.295 0.383 -3.828 1.00 43.21 C ATOM 1281 C GLU A 80 10.840 -1.031 -3.392 1.00 62.14 C ATOM 1282 O GLU A 80 9.748 -1.191 -2.834 1.00 73.34 O ATOM 1283 CB GLU A 80 10.928 1.457 -2.760 1.00 54.02 C ATOM 1284 CG GLU A 80 11.635 1.281 -1.400 1.00 60.33 C ATOM 1285 CD GLU A 80 13.160 1.448 -1.484 1.00 23.43 C ATOM 1286 OE1 GLU A 80 13.860 0.479 -1.841 1.00 73.03 O ATOM 1287 OE2 GLU A 80 13.668 2.553 -1.187 1.00 3.11 O ATOM 0 H GLU A 80 9.693 0.456 -5.162 1.00 22.34 H new ATOM 0 HA GLU A 80 12.380 0.378 -3.931 1.00 43.21 H new ATOM 0 HB2 GLU A 80 11.172 2.442 -3.156 1.00 54.02 H new ATOM 0 HB3 GLU A 80 9.850 1.437 -2.599 1.00 54.02 H new ATOM 0 HG2 GLU A 80 11.235 2.008 -0.693 1.00 60.33 H new ATOM 0 HG3 GLU A 80 11.406 0.292 -1.004 1.00 60.33 H new ATOM 1294 N PRO A 81 11.655 -2.094 -3.691 1.00 54.30 N ATOM 1295 CA PRO A 81 11.350 -3.488 -3.265 1.00 15.30 C ATOM 1296 C PRO A 81 11.534 -3.724 -1.759 1.00 52.32 C ATOM 1297 O PRO A 81 11.086 -4.743 -1.233 1.00 1.50 O ATOM 1298 CB PRO A 81 12.336 -4.337 -4.099 1.00 71.33 C ATOM 1299 CG PRO A 81 13.494 -3.427 -4.362 1.00 42.32 C ATOM 1300 CD PRO A 81 12.906 -2.038 -4.506 1.00 53.41 C ATOM 0 HA PRO A 81 10.303 -3.741 -3.434 1.00 15.30 H new ATOM 0 HB2 PRO A 81 12.649 -5.228 -3.555 1.00 71.33 H new ATOM 0 HB3 PRO A 81 11.879 -4.675 -5.029 1.00 71.33 H new ATOM 0 HG2 PRO A 81 14.213 -3.464 -3.544 1.00 42.32 H new ATOM 0 HG3 PRO A 81 14.025 -3.722 -5.267 1.00 42.32 H new ATOM 0 HD2 PRO A 81 13.590 -1.274 -4.137 1.00 53.41 H new ATOM 0 HD3 PRO A 81 12.694 -1.799 -5.548 1.00 53.41 H new ATOM 1308 N THR A 82 12.208 -2.794 -1.064 1.00 71.31 N ATOM 1309 CA THR A 82 12.350 -2.862 0.400 1.00 20.23 C ATOM 1310 C THR A 82 11.305 -1.975 1.091 1.00 50.04 C ATOM 1311 O THR A 82 11.414 -1.706 2.295 1.00 63.15 O ATOM 1312 CB THR A 82 13.800 -2.478 0.845 1.00 22.32 C ATOM 1313 OG1 THR A 82 14.110 -1.132 0.450 1.00 4.10 O ATOM 1314 CG2 THR A 82 14.853 -3.455 0.272 1.00 13.44 C ATOM 0 H THR A 82 12.663 -1.987 -1.491 1.00 71.31 H new ATOM 0 HA THR A 82 12.173 -3.893 0.708 1.00 20.23 H new ATOM 0 HB THR A 82 13.835 -2.548 1.932 1.00 22.32 H new ATOM 0 HG1 THR A 82 13.974 -1.035 -0.516 1.00 4.10 H new ATOM 0 HG21 THR A 82 15.847 -3.154 0.604 1.00 13.44 H new ATOM 0 HG22 THR A 82 14.643 -4.465 0.625 1.00 13.44 H new ATOM 0 HG23 THR A 82 14.813 -3.436 -0.817 1.00 13.44 H new ATOM 1322 N PHE A 83 10.273 -1.524 0.332 1.00 4.23 N ATOM 1323 CA PHE A 83 9.128 -0.810 0.914 1.00 51.43 C ATOM 1324 C PHE A 83 8.203 -1.829 1.610 1.00 20.35 C ATOM 1325 O PHE A 83 7.330 -2.440 0.983 1.00 53.15 O ATOM 1326 CB PHE A 83 8.352 0.038 -0.129 1.00 13.33 C ATOM 1327 CG PHE A 83 7.233 0.870 0.504 1.00 40.32 C ATOM 1328 CD1 PHE A 83 7.508 1.726 1.576 1.00 3.13 C ATOM 1329 CD2 PHE A 83 5.912 0.758 0.082 1.00 0.13 C ATOM 1330 CE1 PHE A 83 6.502 2.439 2.193 1.00 20.13 C ATOM 1331 CE2 PHE A 83 4.906 1.469 0.709 1.00 71.45 C ATOM 1332 CZ PHE A 83 5.200 2.304 1.761 1.00 61.14 C ATOM 0 H PHE A 83 10.219 -1.646 -0.679 1.00 4.23 H new ATOM 0 HA PHE A 83 9.508 -0.098 1.646 1.00 51.43 H new ATOM 0 HB2 PHE A 83 9.048 0.702 -0.642 1.00 13.33 H new ATOM 0 HB3 PHE A 83 7.926 -0.622 -0.884 1.00 13.33 H new ATOM 0 HD1 PHE A 83 8.524 1.830 1.926 1.00 3.13 H new ATOM 0 HD2 PHE A 83 5.670 0.108 -0.745 1.00 0.13 H new ATOM 0 HE1 PHE A 83 6.734 3.102 3.013 1.00 20.13 H new ATOM 0 HE2 PHE A 83 3.885 1.368 0.371 1.00 71.45 H new ATOM 0 HZ PHE A 83 4.410 2.855 2.249 1.00 61.14 H new ATOM 1342 N ILE A 84 8.429 -1.953 2.916 1.00 42.25 N ATOM 1343 CA ILE A 84 7.870 -2.996 3.785 1.00 5.42 C ATOM 1344 C ILE A 84 6.333 -2.984 3.828 1.00 3.41 C ATOM 1345 O ILE A 84 5.693 -4.012 3.641 1.00 10.55 O ATOM 1346 CB ILE A 84 8.465 -2.802 5.229 1.00 20.34 C ATOM 1347 CG1 ILE A 84 10.009 -3.031 5.206 1.00 72.24 C ATOM 1348 CG2 ILE A 84 7.769 -3.691 6.278 1.00 63.44 C ATOM 1349 CD1 ILE A 84 10.696 -2.856 6.541 1.00 0.31 C ATOM 0 H ILE A 84 9.031 -1.304 3.423 1.00 42.25 H new ATOM 0 HA ILE A 84 8.148 -3.968 3.377 1.00 5.42 H new ATOM 0 HB ILE A 84 8.271 -1.774 5.535 1.00 20.34 H new ATOM 0 HG12 ILE A 84 10.207 -4.039 4.841 1.00 72.24 H new ATOM 0 HG13 ILE A 84 10.454 -2.339 4.491 1.00 72.24 H new ATOM 0 HG21 ILE A 84 8.217 -3.518 7.256 1.00 63.44 H new ATOM 0 HG22 ILE A 84 6.708 -3.445 6.317 1.00 63.44 H new ATOM 0 HG23 ILE A 84 7.889 -4.739 6.004 1.00 63.44 H new ATOM 0 HD11 ILE A 84 11.765 -3.035 6.426 1.00 0.31 H new ATOM 0 HD12 ILE A 84 10.535 -1.841 6.903 1.00 0.31 H new ATOM 0 HD13 ILE A 84 10.284 -3.566 7.258 1.00 0.31 H new ATOM 1361 N LYS A 85 5.754 -1.808 4.072 1.00 64.32 N ATOM 1362 CA LYS A 85 4.302 -1.667 4.274 1.00 61.10 C ATOM 1363 C LYS A 85 3.545 -1.539 2.943 1.00 3.11 C ATOM 1364 O LYS A 85 2.321 -1.398 2.942 1.00 41.02 O ATOM 1365 CB LYS A 85 4.041 -0.494 5.249 1.00 30.53 C ATOM 1366 CG LYS A 85 4.718 -0.735 6.622 1.00 64.25 C ATOM 1367 CD LYS A 85 4.587 0.443 7.598 1.00 31.40 C ATOM 1368 CE LYS A 85 5.322 0.181 8.921 1.00 11.34 C ATOM 1369 NZ LYS A 85 4.794 -1.000 9.652 1.00 44.41 N ATOM 0 H LYS A 85 6.269 -0.930 4.136 1.00 64.32 H new ATOM 0 HA LYS A 85 3.907 -2.575 4.729 1.00 61.10 H new ATOM 0 HB2 LYS A 85 4.417 0.432 4.814 1.00 30.53 H new ATOM 0 HB3 LYS A 85 2.967 -0.368 5.389 1.00 30.53 H new ATOM 0 HG2 LYS A 85 4.282 -1.623 7.080 1.00 64.25 H new ATOM 0 HG3 LYS A 85 5.776 -0.945 6.462 1.00 64.25 H new ATOM 0 HD2 LYS A 85 4.987 1.344 7.134 1.00 31.40 H new ATOM 0 HD3 LYS A 85 3.532 0.630 7.800 1.00 31.40 H new ATOM 0 HE2 LYS A 85 6.383 0.032 8.718 1.00 11.34 H new ATOM 0 HE3 LYS A 85 5.240 1.062 9.557 1.00 11.34 H new ATOM 0 HZ1 LYS A 85 5.428 -1.230 10.443 1.00 44.41 H new ATOM 0 HZ2 LYS A 85 3.845 -0.785 10.020 1.00 44.41 H new ATOM 0 HZ3 LYS A 85 4.738 -1.812 9.005 1.00 44.41 H new ATOM 1383 N GLY A 86 4.287 -1.623 1.815 1.00 21.50 N ATOM 1384 CA GLY A 86 3.686 -1.886 0.498 1.00 54.23 C ATOM 1385 C GLY A 86 3.272 -3.337 0.381 1.00 12.14 C ATOM 1386 O GLY A 86 2.271 -3.658 -0.253 1.00 15.55 O ATOM 0 H GLY A 86 5.301 -1.512 1.796 1.00 21.50 H new ATOM 0 HA2 GLY A 86 2.819 -1.242 0.353 1.00 54.23 H new ATOM 0 HA3 GLY A 86 4.400 -1.641 -0.289 1.00 54.23 H new ATOM 1390 N TYR A 87 4.059 -4.211 1.034 1.00 51.44 N ATOM 1391 CA TYR A 87 3.733 -5.640 1.197 1.00 31.12 C ATOM 1392 C TYR A 87 2.448 -5.814 2.029 1.00 43.34 C ATOM 1393 O TYR A 87 1.662 -6.727 1.778 1.00 60.31 O ATOM 1394 CB TYR A 87 4.911 -6.402 1.868 1.00 71.42 C ATOM 1395 CG TYR A 87 6.160 -6.575 0.985 1.00 0.54 C ATOM 1396 CD1 TYR A 87 6.833 -5.477 0.443 1.00 25.25 C ATOM 1397 CD2 TYR A 87 6.653 -7.838 0.687 1.00 32.21 C ATOM 1398 CE1 TYR A 87 7.950 -5.640 -0.359 1.00 73.32 C ATOM 1399 CE2 TYR A 87 7.765 -8.006 -0.114 1.00 21.52 C ATOM 1400 CZ TYR A 87 8.411 -6.909 -0.635 1.00 20.01 C ATOM 1401 OH TYR A 87 9.520 -7.093 -1.438 1.00 51.11 O ATOM 0 H TYR A 87 4.944 -3.945 1.466 1.00 51.44 H new ATOM 0 HA TYR A 87 3.567 -6.062 0.206 1.00 31.12 H new ATOM 0 HB2 TYR A 87 5.197 -5.871 2.776 1.00 71.42 H new ATOM 0 HB3 TYR A 87 4.560 -7.388 2.172 1.00 71.42 H new ATOM 0 HD1 TYR A 87 6.475 -4.480 0.654 1.00 25.25 H new ATOM 0 HD2 TYR A 87 6.156 -8.708 1.090 1.00 32.21 H new ATOM 0 HE1 TYR A 87 8.457 -4.778 -0.766 1.00 73.32 H new ATOM 0 HE2 TYR A 87 8.128 -9.000 -0.332 1.00 21.52 H new ATOM 0 HH TYR A 87 10.083 -6.292 -1.406 1.00 51.11 H new ATOM 1411 N THR A 88 2.251 -4.922 3.017 1.00 60.44 N ATOM 1412 CA THR A 88 1.040 -4.910 3.858 1.00 64.15 C ATOM 1413 C THR A 88 -0.213 -4.548 3.011 1.00 51.33 C ATOM 1414 O THR A 88 -1.280 -5.147 3.192 1.00 23.34 O ATOM 1415 CB THR A 88 1.209 -3.926 5.067 1.00 34.25 C ATOM 1416 OG1 THR A 88 2.446 -4.209 5.741 1.00 63.50 O ATOM 1417 CG2 THR A 88 0.053 -4.033 6.081 1.00 41.44 C ATOM 0 H THR A 88 2.923 -4.193 3.254 1.00 60.44 H new ATOM 0 HA THR A 88 0.895 -5.912 4.262 1.00 64.15 H new ATOM 0 HB THR A 88 1.205 -2.913 4.664 1.00 34.25 H new ATOM 0 HG1 THR A 88 2.555 -3.594 6.496 1.00 63.50 H new ATOM 0 HG21 THR A 88 0.219 -3.331 6.898 1.00 41.44 H new ATOM 0 HG22 THR A 88 -0.889 -3.797 5.585 1.00 41.44 H new ATOM 0 HG23 THR A 88 0.010 -5.047 6.478 1.00 41.44 H new ATOM 1425 N ARG A 89 -0.049 -3.595 2.052 1.00 42.40 N ATOM 1426 CA ARG A 89 -1.132 -3.216 1.100 1.00 33.32 C ATOM 1427 C ARG A 89 -1.457 -4.401 0.172 1.00 61.23 C ATOM 1428 O ARG A 89 -2.625 -4.728 -0.077 1.00 73.52 O ATOM 1429 CB ARG A 89 -0.721 -2.014 0.192 1.00 71.44 C ATOM 1430 CG ARG A 89 -0.083 -0.810 0.893 1.00 42.44 C ATOM 1431 CD ARG A 89 -0.975 -0.116 1.933 1.00 34.30 C ATOM 1432 NE ARG A 89 -0.297 1.067 2.495 1.00 21.02 N ATOM 1433 CZ ARG A 89 -0.170 1.352 3.800 1.00 2.34 C ATOM 1434 NH1 ARG A 89 -0.679 0.542 4.731 1.00 53.34 N ATOM 1435 NH2 ARG A 89 0.466 2.459 4.155 1.00 40.23 N ATOM 0 H ARG A 89 0.819 -3.077 1.918 1.00 42.40 H new ATOM 0 HA ARG A 89 -1.994 -2.935 1.704 1.00 33.32 H new ATOM 0 HB2 ARG A 89 -0.022 -2.379 -0.561 1.00 71.44 H new ATOM 0 HB3 ARG A 89 -1.609 -1.668 -0.338 1.00 71.44 H new ATOM 0 HG2 ARG A 89 0.833 -1.138 1.384 1.00 42.44 H new ATOM 0 HG3 ARG A 89 0.204 -0.079 0.137 1.00 42.44 H new ATOM 0 HD2 ARG A 89 -1.916 0.183 1.471 1.00 34.30 H new ATOM 0 HD3 ARG A 89 -1.221 -0.815 2.733 1.00 34.30 H new ATOM 0 HE ARG A 89 0.111 1.727 1.833 1.00 21.02 H new ATOM 0 HH11 ARG A 89 -1.172 -0.307 4.454 1.00 53.34 H new ATOM 0 HH12 ARG A 89 -0.575 0.772 5.719 1.00 53.34 H new ATOM 0 HH21 ARG A 89 0.849 3.078 3.441 1.00 40.23 H new ATOM 0 HH22 ARG A 89 0.572 2.692 5.142 1.00 40.23 H new ATOM 1449 N LYS A 90 -0.367 -5.017 -0.332 1.00 2.44 N ATOM 1450 CA LYS A 90 -0.405 -6.056 -1.359 1.00 44.51 C ATOM 1451 C LYS A 90 -1.131 -7.300 -0.838 1.00 13.22 C ATOM 1452 O LYS A 90 -2.088 -7.747 -1.454 1.00 55.03 O ATOM 1453 CB LYS A 90 1.044 -6.402 -1.820 1.00 32.14 C ATOM 1454 CG LYS A 90 1.134 -7.230 -3.121 1.00 73.24 C ATOM 1455 CD LYS A 90 0.426 -6.535 -4.313 1.00 21.35 C ATOM 1456 CE LYS A 90 0.711 -7.221 -5.657 1.00 65.34 C ATOM 1457 NZ LYS A 90 0.335 -8.656 -5.663 1.00 4.10 N ATOM 0 H LYS A 90 0.579 -4.795 -0.024 1.00 2.44 H new ATOM 0 HA LYS A 90 -0.960 -5.684 -2.220 1.00 44.51 H new ATOM 0 HB2 LYS A 90 1.597 -5.473 -1.959 1.00 32.14 H new ATOM 0 HB3 LYS A 90 1.542 -6.952 -1.022 1.00 32.14 H new ATOM 0 HG2 LYS A 90 2.182 -7.396 -3.371 1.00 73.24 H new ATOM 0 HG3 LYS A 90 0.686 -8.210 -2.957 1.00 73.24 H new ATOM 0 HD2 LYS A 90 -0.649 -6.526 -4.136 1.00 21.35 H new ATOM 0 HD3 LYS A 90 0.749 -5.495 -4.365 1.00 21.35 H new ATOM 0 HE2 LYS A 90 0.165 -6.704 -6.446 1.00 65.34 H new ATOM 0 HE3 LYS A 90 1.772 -7.127 -5.889 1.00 65.34 H new ATOM 0 HZ1 LYS A 90 1.189 -9.238 -5.775 1.00 4.10 H new ATOM 0 HZ2 LYS A 90 -0.133 -8.896 -4.766 1.00 4.10 H new ATOM 0 HZ3 LYS A 90 -0.316 -8.841 -6.453 1.00 4.10 H new ATOM 1471 N ALA A 91 -0.688 -7.800 0.328 1.00 63.32 N ATOM 1472 CA ALA A 91 -1.251 -9.006 0.968 1.00 75.42 C ATOM 1473 C ALA A 91 -2.745 -8.830 1.317 1.00 32.11 C ATOM 1474 O ALA A 91 -3.535 -9.772 1.174 1.00 54.53 O ATOM 1475 CB ALA A 91 -0.440 -9.361 2.225 1.00 23.15 C ATOM 0 H ALA A 91 0.075 -7.378 0.858 1.00 63.32 H new ATOM 0 HA ALA A 91 -1.182 -9.826 0.253 1.00 75.42 H new ATOM 0 HB1 ALA A 91 -0.862 -10.252 2.691 1.00 23.15 H new ATOM 0 HB2 ALA A 91 0.596 -9.553 1.947 1.00 23.15 H new ATOM 0 HB3 ALA A 91 -0.479 -8.530 2.930 1.00 23.15 H new ATOM 1481 N ALA A 92 -3.110 -7.601 1.747 1.00 5.23 N ATOM 1482 CA ALA A 92 -4.503 -7.237 2.080 1.00 23.54 C ATOM 1483 C ALA A 92 -5.411 -7.307 0.840 1.00 3.00 C ATOM 1484 O ALA A 92 -6.535 -7.819 0.902 1.00 12.14 O ATOM 1485 CB ALA A 92 -4.545 -5.831 2.696 1.00 62.40 C ATOM 0 H ALA A 92 -2.447 -6.836 1.872 1.00 5.23 H new ATOM 0 HA ALA A 92 -4.878 -7.957 2.807 1.00 23.54 H new ATOM 0 HB1 ALA A 92 -5.575 -5.571 2.938 1.00 62.40 H new ATOM 0 HB2 ALA A 92 -3.943 -5.814 3.604 1.00 62.40 H new ATOM 0 HB3 ALA A 92 -4.147 -5.109 1.983 1.00 62.40 H new ATOM 1491 N ALA A 93 -4.899 -6.798 -0.292 1.00 73.44 N ATOM 1492 CA ALA A 93 -5.604 -6.845 -1.580 1.00 61.34 C ATOM 1493 C ALA A 93 -5.714 -8.296 -2.092 1.00 13.23 C ATOM 1494 O ALA A 93 -6.791 -8.729 -2.520 1.00 4.40 O ATOM 1495 CB ALA A 93 -4.896 -5.946 -2.599 1.00 20.14 C ATOM 0 H ALA A 93 -3.987 -6.344 -0.339 1.00 73.44 H new ATOM 0 HA ALA A 93 -6.618 -6.470 -1.440 1.00 61.34 H new ATOM 0 HB1 ALA A 93 -5.426 -5.987 -3.551 1.00 20.14 H new ATOM 0 HB2 ALA A 93 -4.886 -4.919 -2.233 1.00 20.14 H new ATOM 0 HB3 ALA A 93 -3.872 -6.291 -2.739 1.00 20.14 H new ATOM 1501 N LEU A 94 -4.601 -9.052 -1.974 1.00 10.52 N ATOM 1502 CA LEU A 94 -4.511 -10.470 -2.391 1.00 11.04 C ATOM 1503 C LEU A 94 -5.512 -11.351 -1.617 1.00 11.24 C ATOM 1504 O LEU A 94 -6.091 -12.278 -2.180 1.00 71.33 O ATOM 1505 CB LEU A 94 -3.066 -11.007 -2.193 1.00 43.15 C ATOM 1506 CG LEU A 94 -1.974 -10.367 -3.108 1.00 14.33 C ATOM 1507 CD1 LEU A 94 -0.565 -10.865 -2.732 1.00 41.41 C ATOM 1508 CD2 LEU A 94 -2.278 -10.603 -4.601 1.00 15.14 C ATOM 0 H LEU A 94 -3.730 -8.692 -1.583 1.00 10.52 H new ATOM 0 HA LEU A 94 -4.766 -10.517 -3.450 1.00 11.04 H new ATOM 0 HB2 LEU A 94 -2.779 -10.851 -1.153 1.00 43.15 H new ATOM 0 HB3 LEU A 94 -3.072 -12.084 -2.364 1.00 43.15 H new ATOM 0 HG LEU A 94 -1.996 -9.290 -2.940 1.00 14.33 H new ATOM 0 HD11 LEU A 94 0.172 -10.401 -3.387 1.00 41.41 H new ATOM 0 HD12 LEU A 94 -0.349 -10.599 -1.697 1.00 41.41 H new ATOM 0 HD13 LEU A 94 -0.520 -11.948 -2.845 1.00 41.41 H new ATOM 0 HD21 LEU A 94 -1.498 -10.144 -5.208 1.00 15.14 H new ATOM 0 HD22 LEU A 94 -2.311 -11.674 -4.801 1.00 15.14 H new ATOM 0 HD23 LEU A 94 -3.241 -10.158 -4.851 1.00 15.14 H new ATOM 1520 N GLU A 95 -5.720 -11.025 -0.329 1.00 62.21 N ATOM 1521 CA GLU A 95 -6.723 -11.693 0.531 1.00 31.02 C ATOM 1522 C GLU A 95 -8.159 -11.468 -0.021 1.00 1.14 C ATOM 1523 O GLU A 95 -9.021 -12.352 0.069 1.00 34.52 O ATOM 1524 CB GLU A 95 -6.581 -11.169 1.984 1.00 44.40 C ATOM 1525 CG GLU A 95 -7.555 -11.772 3.014 1.00 40.21 C ATOM 1526 CD GLU A 95 -7.427 -11.115 4.394 1.00 22.53 C ATOM 1527 OE1 GLU A 95 -7.972 -10.003 4.575 1.00 65.11 O ATOM 1528 OE2 GLU A 95 -6.776 -11.689 5.302 1.00 52.33 O ATOM 0 H GLU A 95 -5.198 -10.290 0.149 1.00 62.21 H new ATOM 0 HA GLU A 95 -6.545 -12.768 0.530 1.00 31.02 H new ATOM 0 HB2 GLU A 95 -5.562 -11.360 2.321 1.00 44.40 H new ATOM 0 HB3 GLU A 95 -6.716 -10.087 1.975 1.00 44.40 H new ATOM 0 HG2 GLU A 95 -8.577 -11.658 2.654 1.00 40.21 H new ATOM 0 HG3 GLU A 95 -7.367 -12.842 3.105 1.00 40.21 H new ATOM 1535 N ALA A 96 -8.366 -10.299 -0.666 1.00 10.43 N ATOM 1536 CA ALA A 96 -9.649 -9.956 -1.312 1.00 50.30 C ATOM 1537 C ALA A 96 -9.710 -10.527 -2.748 1.00 12.15 C ATOM 1538 O ALA A 96 -10.743 -10.429 -3.413 1.00 53.23 O ATOM 1539 CB ALA A 96 -9.854 -8.424 -1.315 1.00 4.25 C ATOM 0 H ALA A 96 -7.654 -9.573 -0.752 1.00 10.43 H new ATOM 0 HA ALA A 96 -10.458 -10.409 -0.739 1.00 50.30 H new ATOM 0 HB1 ALA A 96 -10.803 -8.185 -1.794 1.00 4.25 H new ATOM 0 HB2 ALA A 96 -9.862 -8.056 -0.289 1.00 4.25 H new ATOM 0 HB3 ALA A 96 -9.041 -7.949 -1.864 1.00 4.25 H new ATOM 1545 N MET A 97 -8.591 -11.119 -3.224 1.00 32.25 N ATOM 1546 CA MET A 97 -8.474 -11.680 -4.591 1.00 25.02 C ATOM 1547 C MET A 97 -8.261 -13.205 -4.555 1.00 42.14 C ATOM 1548 O MET A 97 -7.981 -13.810 -5.594 1.00 62.13 O ATOM 1549 CB MET A 97 -7.309 -10.966 -5.342 1.00 43.12 C ATOM 1550 CG MET A 97 -7.622 -9.510 -5.673 1.00 5.53 C ATOM 1551 SD MET A 97 -9.135 -9.376 -6.654 1.00 51.51 S ATOM 1552 CE MET A 97 -9.658 -7.705 -6.301 1.00 12.24 C ATOM 0 H MET A 97 -7.741 -11.222 -2.670 1.00 32.25 H new ATOM 0 HA MET A 97 -9.406 -11.502 -5.127 1.00 25.02 H new ATOM 0 HB2 MET A 97 -6.408 -11.009 -4.730 1.00 43.12 H new ATOM 0 HB3 MET A 97 -7.093 -11.505 -6.264 1.00 43.12 H new ATOM 0 HG2 MET A 97 -7.731 -8.940 -4.751 1.00 5.53 H new ATOM 0 HG3 MET A 97 -6.789 -9.071 -6.222 1.00 5.53 H new ATOM 0 HE1 MET A 97 -10.384 -7.385 -7.049 1.00 12.24 H new ATOM 0 HE2 MET A 97 -10.115 -7.668 -5.312 1.00 12.24 H new ATOM 0 HE3 MET A 97 -8.794 -7.040 -6.326 1.00 12.24 H new ATOM 1562 N LYS A 98 -8.391 -13.806 -3.342 1.00 50.14 N ATOM 1563 CA LYS A 98 -8.264 -15.272 -3.101 1.00 2.22 C ATOM 1564 C LYS A 98 -6.809 -15.774 -3.272 1.00 74.33 C ATOM 1565 O LYS A 98 -6.549 -16.983 -3.228 1.00 54.35 O ATOM 1566 CB LYS A 98 -9.238 -16.089 -4.008 1.00 24.34 C ATOM 1567 CG LYS A 98 -10.738 -15.706 -3.897 1.00 2.30 C ATOM 1568 CD LYS A 98 -11.340 -15.985 -2.503 1.00 31.35 C ATOM 1569 CE LYS A 98 -11.275 -17.474 -2.101 1.00 11.24 C ATOM 1570 NZ LYS A 98 -11.945 -18.364 -3.085 1.00 12.23 N ATOM 0 H LYS A 98 -8.590 -13.280 -2.491 1.00 50.14 H new ATOM 0 HA LYS A 98 -8.545 -15.438 -2.061 1.00 2.22 H new ATOM 0 HB2 LYS A 98 -8.927 -15.969 -5.046 1.00 24.34 H new ATOM 0 HB3 LYS A 98 -9.132 -17.146 -3.764 1.00 24.34 H new ATOM 0 HG2 LYS A 98 -10.853 -14.647 -4.129 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -11.303 -16.260 -4.646 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -10.809 -15.391 -1.759 1.00 31.35 H new ATOM 0 HD3 LYS A 98 -12.379 -15.657 -2.491 1.00 31.35 H new ATOM 0 HE2 LYS A 98 -10.232 -17.773 -1.998 1.00 11.24 H new ATOM 0 HE3 LYS A 98 -11.741 -17.603 -1.124 1.00 11.24 H new ATOM 0 HZ1 LYS A 98 -11.931 -19.343 -2.734 1.00 12.23 H new ATOM 0 HZ2 LYS A 98 -12.930 -18.057 -3.216 1.00 12.23 H new ATOM 0 HZ3 LYS A 98 -11.443 -18.316 -3.995 1.00 12.23 H new ATOM 1584 N ASP A 99 -5.861 -14.833 -3.416 1.00 22.24 N ATOM 1585 CA ASP A 99 -4.428 -15.114 -3.644 1.00 55.12 C ATOM 1586 C ASP A 99 -3.674 -15.304 -2.313 1.00 51.20 C ATOM 1587 O ASP A 99 -2.535 -14.864 -2.183 1.00 65.12 O ATOM 1588 CB ASP A 99 -3.782 -13.952 -4.464 1.00 71.22 C ATOM 1589 CG ASP A 99 -4.144 -13.959 -5.952 1.00 20.21 C ATOM 1590 OD1 ASP A 99 -5.167 -13.354 -6.329 1.00 43.33 O ATOM 1591 OD2 ASP A 99 -3.401 -14.571 -6.757 1.00 23.31 O ATOM 0 H ASP A 99 -6.070 -13.835 -3.377 1.00 22.24 H new ATOM 0 HA ASP A 99 -4.351 -16.043 -4.209 1.00 55.12 H new ATOM 0 HB2 ASP A 99 -4.091 -13.001 -4.031 1.00 71.22 H new ATOM 0 HB3 ASP A 99 -2.698 -14.011 -4.365 1.00 71.22 H new ATOM 1596 N TYR A 100 -4.316 -15.991 -1.346 1.00 32.14 N ATOM 1597 CA TYR A 100 -3.733 -16.310 -0.014 1.00 34.15 C ATOM 1598 C TYR A 100 -2.366 -17.020 -0.134 1.00 75.53 C ATOM 1599 O TYR A 100 -1.484 -16.839 0.712 1.00 54.34 O ATOM 1600 CB TYR A 100 -4.703 -17.218 0.778 1.00 23.25 C ATOM 1601 CG TYR A 100 -6.168 -16.774 0.730 1.00 51.43 C ATOM 1602 CD1 TYR A 100 -6.554 -15.517 1.181 1.00 60.11 C ATOM 1603 CD2 TYR A 100 -7.162 -17.618 0.230 1.00 32.52 C ATOM 1604 CE1 TYR A 100 -7.873 -15.125 1.137 1.00 21.13 C ATOM 1605 CE2 TYR A 100 -8.477 -17.225 0.186 1.00 31.00 C ATOM 1606 CZ TYR A 100 -8.831 -15.980 0.642 1.00 24.43 C ATOM 1607 OH TYR A 100 -10.148 -15.593 0.606 1.00 21.23 O ATOM 0 H TYR A 100 -5.265 -16.347 -1.463 1.00 32.14 H new ATOM 0 HA TYR A 100 -3.581 -15.366 0.509 1.00 34.15 H new ATOM 0 HB2 TYR A 100 -4.631 -18.233 0.388 1.00 23.25 H new ATOM 0 HB3 TYR A 100 -4.381 -17.253 1.819 1.00 23.25 H new ATOM 0 HD1 TYR A 100 -5.809 -14.839 1.571 1.00 60.11 H new ATOM 0 HD2 TYR A 100 -6.891 -18.600 -0.129 1.00 32.52 H new ATOM 0 HE1 TYR A 100 -8.156 -14.145 1.492 1.00 21.13 H new ATOM 0 HE2 TYR A 100 -9.230 -17.893 -0.206 1.00 31.00 H new ATOM 0 HH TYR A 100 -10.200 -14.621 0.496 1.00 21.23 H new ATOM 1617 N THR A 101 -2.245 -17.819 -1.206 1.00 13.11 N ATOM 1618 CA THR A 101 -1.024 -18.533 -1.579 1.00 2.41 C ATOM 1619 C THR A 101 0.133 -17.546 -1.840 1.00 51.13 C ATOM 1620 O THR A 101 1.264 -17.802 -1.448 1.00 74.44 O ATOM 1621 CB THR A 101 -1.287 -19.396 -2.853 1.00 31.34 C ATOM 1622 OG1 THR A 101 -1.803 -18.558 -3.904 1.00 41.12 O ATOM 1623 CG2 THR A 101 -2.277 -20.536 -2.570 1.00 13.32 C ATOM 0 H THR A 101 -3.017 -17.987 -1.851 1.00 13.11 H new ATOM 0 HA THR A 101 -0.737 -19.184 -0.753 1.00 2.41 H new ATOM 0 HB THR A 101 -0.341 -19.841 -3.160 1.00 31.34 H new ATOM 0 HG1 THR A 101 -2.115 -19.118 -4.645 1.00 41.12 H new ATOM 0 HG21 THR A 101 -2.435 -21.115 -3.480 1.00 13.32 H new ATOM 0 HG22 THR A 101 -1.872 -21.185 -1.793 1.00 13.32 H new ATOM 0 HG23 THR A 101 -3.227 -20.118 -2.236 1.00 13.32 H new ATOM 1631 N LYS A 102 -0.179 -16.405 -2.498 1.00 23.20 N ATOM 1632 CA LYS A 102 0.814 -15.330 -2.758 1.00 14.31 C ATOM 1633 C LYS A 102 1.036 -14.530 -1.475 1.00 62.51 C ATOM 1634 O LYS A 102 2.172 -14.252 -1.095 1.00 24.25 O ATOM 1635 CB LYS A 102 0.334 -14.370 -3.899 1.00 22.53 C ATOM 1636 CG LYS A 102 -0.354 -15.087 -5.067 1.00 11.41 C ATOM 1637 CD LYS A 102 0.531 -16.124 -5.802 1.00 25.44 C ATOM 1638 CE LYS A 102 -0.314 -17.130 -6.602 1.00 5.02 C ATOM 1639 NZ LYS A 102 -1.262 -16.473 -7.545 1.00 64.32 N ATOM 0 H LYS A 102 -1.111 -16.203 -2.860 1.00 23.20 H new ATOM 0 HA LYS A 102 1.746 -15.794 -3.080 1.00 14.31 H new ATOM 0 HB2 LYS A 102 -0.355 -13.638 -3.478 1.00 22.53 H new ATOM 0 HB3 LYS A 102 1.193 -13.817 -4.280 1.00 22.53 H new ATOM 0 HG2 LYS A 102 -1.245 -15.591 -4.692 1.00 11.41 H new ATOM 0 HG3 LYS A 102 -0.689 -14.340 -5.787 1.00 11.41 H new ATOM 0 HD2 LYS A 102 1.214 -15.607 -6.475 1.00 25.44 H new ATOM 0 HD3 LYS A 102 1.143 -16.659 -5.076 1.00 25.44 H new ATOM 0 HE2 LYS A 102 0.349 -17.789 -7.162 1.00 5.02 H new ATOM 0 HE3 LYS A 102 -0.875 -17.757 -5.909 1.00 5.02 H new ATOM 0 HZ1 LYS A 102 -1.755 -17.199 -8.104 1.00 64.32 H new ATOM 0 HZ2 LYS A 102 -1.958 -15.918 -7.007 1.00 64.32 H new ATOM 0 HZ3 LYS A 102 -0.736 -15.843 -8.183 1.00 64.32 H new ATOM 1653 N ALA A 103 -0.091 -14.206 -0.809 1.00 71.03 N ATOM 1654 CA ALA A 103 -0.136 -13.315 0.358 1.00 3.11 C ATOM 1655 C ALA A 103 0.733 -13.823 1.513 1.00 4.05 C ATOM 1656 O ALA A 103 1.433 -13.040 2.138 1.00 73.20 O ATOM 1657 CB ALA A 103 -1.587 -13.107 0.816 1.00 22.12 C ATOM 0 H ALA A 103 -1.008 -14.564 -1.075 1.00 71.03 H new ATOM 0 HA ALA A 103 0.279 -12.355 0.050 1.00 3.11 H new ATOM 0 HB1 ALA A 103 -1.604 -12.445 1.681 1.00 22.12 H new ATOM 0 HB2 ALA A 103 -2.164 -12.661 0.006 1.00 22.12 H new ATOM 0 HB3 ALA A 103 -2.025 -14.068 1.086 1.00 22.12 H new ATOM 1663 N MET A 104 0.714 -15.149 1.749 1.00 63.00 N ATOM 1664 CA MET A 104 1.509 -15.786 2.826 1.00 53.30 C ATOM 1665 C MET A 104 3.025 -15.657 2.573 1.00 42.35 C ATOM 1666 O MET A 104 3.819 -15.671 3.508 1.00 13.34 O ATOM 1667 CB MET A 104 1.115 -17.273 3.004 1.00 55.21 C ATOM 1668 CG MET A 104 1.421 -18.202 1.825 1.00 73.24 C ATOM 1669 SD MET A 104 1.009 -19.928 2.179 1.00 72.42 S ATOM 1670 CE MET A 104 -0.722 -19.831 2.652 1.00 43.52 C ATOM 0 H MET A 104 0.154 -15.807 1.206 1.00 63.00 H new ATOM 0 HA MET A 104 1.280 -15.254 3.749 1.00 53.30 H new ATOM 0 HB2 MET A 104 1.626 -17.659 3.886 1.00 55.21 H new ATOM 0 HB3 MET A 104 0.046 -17.321 3.209 1.00 55.21 H new ATOM 0 HG2 MET A 104 0.862 -17.870 0.950 1.00 73.24 H new ATOM 0 HG3 MET A 104 2.479 -18.128 1.574 1.00 73.24 H new ATOM 0 HE1 MET A 104 -1.165 -20.826 2.617 1.00 43.52 H new ATOM 0 HE2 MET A 104 -0.801 -19.434 3.664 1.00 43.52 H new ATOM 0 HE3 MET A 104 -1.251 -19.174 1.962 1.00 43.52 H new ATOM 1680 N ASP A 105 3.413 -15.551 1.298 1.00 14.00 N ATOM 1681 CA ASP A 105 4.812 -15.292 0.909 1.00 23.22 C ATOM 1682 C ASP A 105 5.132 -13.794 0.997 1.00 41.53 C ATOM 1683 O ASP A 105 6.288 -13.429 1.179 1.00 2.43 O ATOM 1684 CB ASP A 105 5.097 -15.828 -0.518 1.00 25.44 C ATOM 1685 CG ASP A 105 5.092 -17.364 -0.574 1.00 52.32 C ATOM 1686 OD1 ASP A 105 3.999 -17.965 -0.576 1.00 0.31 O ATOM 1687 OD2 ASP A 105 6.180 -17.977 -0.580 1.00 61.54 O ATOM 0 H ASP A 105 2.774 -15.641 0.508 1.00 14.00 H new ATOM 0 HA ASP A 105 5.460 -15.822 1.607 1.00 23.22 H new ATOM 0 HB2 ASP A 105 4.347 -15.439 -1.207 1.00 25.44 H new ATOM 0 HB3 ASP A 105 6.064 -15.457 -0.857 1.00 25.44 H new ATOM 1692 N VAL A 106 4.093 -12.935 0.902 1.00 61.44 N ATOM 1693 CA VAL A 106 4.252 -11.464 0.943 1.00 23.51 C ATOM 1694 C VAL A 106 4.386 -11.002 2.415 1.00 4.14 C ATOM 1695 O VAL A 106 5.155 -10.090 2.737 1.00 43.31 O ATOM 1696 CB VAL A 106 3.044 -10.750 0.204 1.00 14.11 C ATOM 1697 CG1 VAL A 106 3.113 -9.216 0.320 1.00 0.32 C ATOM 1698 CG2 VAL A 106 3.003 -11.168 -1.288 1.00 71.14 C ATOM 0 H VAL A 106 3.125 -13.240 0.795 1.00 61.44 H new ATOM 0 HA VAL A 106 5.161 -11.179 0.413 1.00 23.51 H new ATOM 0 HB VAL A 106 2.128 -11.074 0.699 1.00 14.11 H new ATOM 0 HG11 VAL A 106 2.265 -8.773 -0.202 1.00 0.32 H new ATOM 0 HG12 VAL A 106 3.083 -8.929 1.371 1.00 0.32 H new ATOM 0 HG13 VAL A 106 4.041 -8.859 -0.127 1.00 0.32 H new ATOM 0 HG21 VAL A 106 2.169 -10.670 -1.783 1.00 71.14 H new ATOM 0 HG22 VAL A 106 3.936 -10.880 -1.772 1.00 71.14 H new ATOM 0 HG23 VAL A 106 2.875 -12.248 -1.360 1.00 71.14 H new ATOM 1708 N TYR A 107 3.651 -11.705 3.300 1.00 4.14 N ATOM 1709 CA TYR A 107 3.717 -11.540 4.768 1.00 71.00 C ATOM 1710 C TYR A 107 5.096 -12.017 5.276 1.00 42.53 C ATOM 1711 O TYR A 107 5.706 -11.387 6.151 1.00 61.55 O ATOM 1712 CB TYR A 107 2.524 -12.333 5.448 1.00 10.02 C ATOM 1713 CG TYR A 107 2.916 -13.294 6.597 1.00 64.24 C ATOM 1714 CD1 TYR A 107 3.025 -12.848 7.912 1.00 11.20 C ATOM 1715 CD2 TYR A 107 3.234 -14.634 6.348 1.00 42.40 C ATOM 1716 CE1 TYR A 107 3.414 -13.702 8.919 1.00 2.13 C ATOM 1717 CE2 TYR A 107 3.637 -15.481 7.356 1.00 22.44 C ATOM 1718 CZ TYR A 107 3.727 -15.008 8.639 1.00 52.23 C ATOM 1719 OH TYR A 107 4.137 -15.843 9.652 1.00 2.33 O ATOM 0 H TYR A 107 2.981 -12.418 3.010 1.00 4.14 H new ATOM 0 HA TYR A 107 3.608 -10.489 5.036 1.00 71.00 H new ATOM 0 HB2 TYR A 107 1.807 -11.609 5.835 1.00 10.02 H new ATOM 0 HB3 TYR A 107 2.011 -12.909 4.678 1.00 10.02 H new ATOM 0 HD1 TYR A 107 2.801 -11.817 8.145 1.00 11.20 H new ATOM 0 HD2 TYR A 107 3.161 -15.013 5.339 1.00 42.40 H new ATOM 0 HE1 TYR A 107 3.473 -13.342 9.935 1.00 2.13 H new ATOM 0 HE2 TYR A 107 3.880 -16.510 7.137 1.00 22.44 H new ATOM 0 HH TYR A 107 4.319 -16.734 9.288 1.00 2.33 H new ATOM 1729 N GLN A 108 5.544 -13.163 4.711 1.00 12.14 N ATOM 1730 CA GLN A 108 6.823 -13.803 5.047 1.00 72.51 C ATOM 1731 C GLN A 108 7.954 -12.840 4.693 1.00 34.11 C ATOM 1732 O GLN A 108 8.819 -12.572 5.517 1.00 51.24 O ATOM 1733 CB GLN A 108 6.946 -15.162 4.281 1.00 34.14 C ATOM 1734 CG GLN A 108 8.010 -16.158 4.805 1.00 70.31 C ATOM 1735 CD GLN A 108 9.454 -15.812 4.436 1.00 50.35 C ATOM 1736 OE1 GLN A 108 9.963 -16.234 3.396 1.00 43.31 O ATOM 1737 NE2 GLN A 108 10.107 -15.017 5.265 1.00 4.12 N ATOM 0 H GLN A 108 5.015 -13.670 4.001 1.00 12.14 H new ATOM 0 HA GLN A 108 6.881 -14.025 6.113 1.00 72.51 H new ATOM 0 HB2 GLN A 108 5.975 -15.656 4.306 1.00 34.14 H new ATOM 0 HB3 GLN A 108 7.167 -14.945 3.236 1.00 34.14 H new ATOM 0 HG2 GLN A 108 7.931 -16.213 5.891 1.00 70.31 H new ATOM 0 HG3 GLN A 108 7.779 -17.150 4.418 1.00 70.31 H new ATOM 0 HE21 GLN A 108 9.654 -14.686 6.117 1.00 4.12 H new ATOM 0 HE22 GLN A 108 11.064 -14.734 5.053 1.00 4.12 H new ATOM 1746 N LYS A 109 7.897 -12.307 3.456 1.00 62.33 N ATOM 1747 CA LYS A 109 8.831 -11.294 2.966 1.00 52.54 C ATOM 1748 C LYS A 109 8.784 -10.003 3.786 1.00 72.35 C ATOM 1749 O LYS A 109 9.824 -9.380 3.979 1.00 23.12 O ATOM 1750 CB LYS A 109 8.585 -11.003 1.465 1.00 34.12 C ATOM 1751 CG LYS A 109 9.047 -12.125 0.519 1.00 50.15 C ATOM 1752 CD LYS A 109 10.556 -12.426 0.634 1.00 52.34 C ATOM 1753 CE LYS A 109 11.434 -11.207 0.287 1.00 54.53 C ATOM 1754 NZ LYS A 109 12.885 -11.520 0.381 1.00 33.21 N ATOM 0 H LYS A 109 7.192 -12.575 2.769 1.00 62.33 H new ATOM 0 HA LYS A 109 9.834 -11.704 3.085 1.00 52.54 H new ATOM 0 HB2 LYS A 109 7.520 -10.829 1.310 1.00 34.12 H new ATOM 0 HB3 LYS A 109 9.101 -10.081 1.196 1.00 34.12 H new ATOM 0 HG2 LYS A 109 8.483 -13.032 0.737 1.00 50.15 H new ATOM 0 HG3 LYS A 109 8.815 -11.845 -0.509 1.00 50.15 H new ATOM 0 HD2 LYS A 109 10.781 -12.753 1.649 1.00 52.34 H new ATOM 0 HD3 LYS A 109 10.809 -13.252 -0.031 1.00 52.34 H new ATOM 0 HE2 LYS A 109 11.201 -10.868 -0.722 1.00 54.53 H new ATOM 0 HE3 LYS A 109 11.196 -10.385 0.962 1.00 54.53 H new ATOM 0 HZ1 LYS A 109 13.434 -10.758 -0.065 1.00 33.21 H new ATOM 0 HZ2 LYS A 109 13.158 -11.604 1.381 1.00 33.21 H new ATOM 0 HZ3 LYS A 109 13.079 -12.418 -0.107 1.00 33.21 H new ATOM 1768 N ALA A 110 7.589 -9.612 4.273 1.00 20.34 N ATOM 1769 CA ALA A 110 7.447 -8.441 5.166 1.00 43.05 C ATOM 1770 C ALA A 110 8.279 -8.656 6.453 1.00 12.42 C ATOM 1771 O ALA A 110 9.077 -7.798 6.825 1.00 74.14 O ATOM 1772 CB ALA A 110 5.966 -8.164 5.484 1.00 71.55 C ATOM 0 H ALA A 110 6.711 -10.087 4.065 1.00 20.34 H new ATOM 0 HA ALA A 110 7.833 -7.559 4.655 1.00 43.05 H new ATOM 0 HB1 ALA A 110 5.891 -7.298 6.142 1.00 71.55 H new ATOM 0 HB2 ALA A 110 5.426 -7.964 4.558 1.00 71.55 H new ATOM 0 HB3 ALA A 110 5.531 -9.033 5.977 1.00 71.55 H new ATOM 1778 N LEU A 111 8.125 -9.848 7.076 1.00 44.12 N ATOM 1779 CA LEU A 111 8.918 -10.252 8.272 1.00 62.32 C ATOM 1780 C LEU A 111 10.419 -10.415 7.939 1.00 22.04 C ATOM 1781 O LEU A 111 11.291 -10.135 8.771 1.00 71.33 O ATOM 1782 CB LEU A 111 8.389 -11.583 8.862 1.00 71.01 C ATOM 1783 CG LEU A 111 6.967 -11.553 9.498 1.00 65.43 C ATOM 1784 CD1 LEU A 111 6.551 -12.963 9.945 1.00 2.22 C ATOM 1785 CD2 LEU A 111 6.893 -10.565 10.682 1.00 4.20 C ATOM 0 H LEU A 111 7.455 -10.554 6.771 1.00 44.12 H new ATOM 0 HA LEU A 111 8.806 -9.453 9.005 1.00 62.32 H new ATOM 0 HB2 LEU A 111 8.391 -12.331 8.069 1.00 71.01 H new ATOM 0 HB3 LEU A 111 9.094 -11.922 9.621 1.00 71.01 H new ATOM 0 HG LEU A 111 6.270 -11.205 8.736 1.00 65.43 H new ATOM 0 HD11 LEU A 111 5.555 -12.926 10.387 1.00 2.22 H new ATOM 0 HD12 LEU A 111 6.540 -13.630 9.083 1.00 2.22 H new ATOM 0 HD13 LEU A 111 7.262 -13.335 10.683 1.00 2.22 H new ATOM 0 HD21 LEU A 111 5.886 -10.572 11.099 1.00 4.20 H new ATOM 0 HD22 LEU A 111 7.606 -10.864 11.450 1.00 4.20 H new ATOM 0 HD23 LEU A 111 7.134 -9.561 10.334 1.00 4.20 H new ATOM 1797 N ASP A 112 10.680 -10.871 6.708 1.00 1.21 N ATOM 1798 CA ASP A 112 12.030 -11.147 6.180 1.00 65.35 C ATOM 1799 C ASP A 112 12.803 -9.831 5.989 1.00 72.10 C ATOM 1800 O ASP A 112 14.037 -9.803 6.060 1.00 25.25 O ATOM 1801 CB ASP A 112 11.886 -11.935 4.846 1.00 0.31 C ATOM 1802 CG ASP A 112 13.214 -12.374 4.218 1.00 71.41 C ATOM 1803 OD1 ASP A 112 13.823 -13.340 4.724 1.00 4.51 O ATOM 1804 OD2 ASP A 112 13.652 -11.777 3.215 1.00 12.12 O ATOM 0 H ASP A 112 9.942 -11.065 6.031 1.00 1.21 H new ATOM 0 HA ASP A 112 12.600 -11.753 6.884 1.00 65.35 H new ATOM 0 HB2 ASP A 112 11.274 -12.819 5.026 1.00 0.31 H new ATOM 0 HB3 ASP A 112 11.348 -11.315 4.129 1.00 0.31 H new ATOM 1809 N LEU A 113 12.052 -8.739 5.767 1.00 12.23 N ATOM 1810 CA LEU A 113 12.592 -7.377 5.754 1.00 24.11 C ATOM 1811 C LEU A 113 12.711 -6.855 7.206 1.00 13.23 C ATOM 1812 O LEU A 113 13.753 -6.324 7.595 1.00 50.54 O ATOM 1813 CB LEU A 113 11.697 -6.433 4.890 1.00 2.30 C ATOM 1814 CG LEU A 113 11.515 -6.824 3.381 1.00 43.11 C ATOM 1815 CD1 LEU A 113 10.638 -5.797 2.626 1.00 65.32 C ATOM 1816 CD2 LEU A 113 12.872 -7.036 2.678 1.00 62.41 C ATOM 0 H LEU A 113 11.048 -8.781 5.591 1.00 12.23 H new ATOM 0 HA LEU A 113 13.584 -7.391 5.302 1.00 24.11 H new ATOM 0 HB2 LEU A 113 10.710 -6.384 5.350 1.00 2.30 H new ATOM 0 HB3 LEU A 113 12.120 -5.429 4.933 1.00 2.30 H new ATOM 0 HG LEU A 113 10.988 -7.778 3.359 1.00 43.11 H new ATOM 0 HD11 LEU A 113 10.535 -6.102 1.585 1.00 65.32 H new ATOM 0 HD12 LEU A 113 9.652 -5.750 3.089 1.00 65.32 H new ATOM 0 HD13 LEU A 113 11.108 -4.814 2.671 1.00 65.32 H new ATOM 0 HD21 LEU A 113 12.703 -7.305 1.635 1.00 62.41 H new ATOM 0 HD22 LEU A 113 13.454 -6.116 2.726 1.00 62.41 H new ATOM 0 HD23 LEU A 113 13.418 -7.837 3.176 1.00 62.41 H new ATOM 1828 N ASP A 114 11.651 -7.077 8.014 1.00 60.11 N ATOM 1829 CA ASP A 114 11.539 -6.530 9.386 1.00 75.33 C ATOM 1830 C ASP A 114 10.543 -7.339 10.253 1.00 63.42 C ATOM 1831 O ASP A 114 9.376 -7.504 9.892 1.00 11.24 O ATOM 1832 CB ASP A 114 11.113 -5.034 9.317 1.00 61.13 C ATOM 1833 CG ASP A 114 10.619 -4.444 10.650 1.00 63.31 C ATOM 1834 OD1 ASP A 114 11.390 -4.430 11.640 1.00 3.44 O ATOM 1835 OD2 ASP A 114 9.456 -3.998 10.717 1.00 41.23 O ATOM 0 H ASP A 114 10.848 -7.641 7.734 1.00 60.11 H new ATOM 0 HA ASP A 114 12.516 -6.610 9.863 1.00 75.33 H new ATOM 0 HB2 ASP A 114 11.960 -4.445 8.966 1.00 61.13 H new ATOM 0 HB3 ASP A 114 10.323 -4.929 8.574 1.00 61.13 H new ATOM 1840 N SER A 115 11.015 -7.778 11.425 1.00 3.22 N ATOM 1841 CA SER A 115 10.232 -8.592 12.378 1.00 1.44 C ATOM 1842 C SER A 115 8.969 -7.835 12.880 1.00 51.05 C ATOM 1843 O SER A 115 7.877 -8.425 13.019 1.00 41.43 O ATOM 1844 CB SER A 115 11.151 -9.004 13.553 1.00 24.44 C ATOM 1845 OG SER A 115 11.699 -7.874 14.215 1.00 43.21 O ATOM 0 H SER A 115 11.962 -7.579 11.748 1.00 3.22 H new ATOM 0 HA SER A 115 9.870 -9.487 11.871 1.00 1.44 H new ATOM 0 HB2 SER A 115 10.584 -9.603 14.265 1.00 24.44 H new ATOM 0 HB3 SER A 115 11.959 -9.633 13.179 1.00 24.44 H new ATOM 0 HG SER A 115 12.272 -8.173 14.952 1.00 43.21 H new ATOM 1851 N SER A 116 9.104 -6.501 13.039 1.00 2.21 N ATOM 1852 CA SER A 116 8.005 -5.625 13.504 1.00 73.32 C ATOM 1853 C SER A 116 6.865 -5.503 12.453 1.00 22.34 C ATOM 1854 O SER A 116 5.893 -4.778 12.664 1.00 74.22 O ATOM 1855 CB SER A 116 8.586 -4.243 13.888 1.00 31.40 C ATOM 1856 OG SER A 116 7.604 -3.389 14.442 1.00 21.10 O ATOM 0 H SER A 116 9.973 -6.002 12.850 1.00 2.21 H new ATOM 0 HA SER A 116 7.548 -6.076 14.385 1.00 73.32 H new ATOM 0 HB2 SER A 116 9.396 -4.377 14.605 1.00 31.40 H new ATOM 0 HB3 SER A 116 9.018 -3.773 13.004 1.00 31.40 H new ATOM 0 HG SER A 116 6.735 -3.578 14.029 1.00 21.10 H new ATOM 1862 N CYS A 117 6.985 -6.247 11.331 1.00 73.33 N ATOM 1863 CA CYS A 117 5.871 -6.494 10.400 1.00 64.43 C ATOM 1864 C CYS A 117 4.881 -7.548 10.951 1.00 50.22 C ATOM 1865 O CYS A 117 4.107 -8.114 10.181 1.00 64.03 O ATOM 1866 CB CYS A 117 6.417 -6.952 9.055 1.00 24.21 C ATOM 1867 SG CYS A 117 7.642 -5.834 8.420 1.00 60.20 S ATOM 0 H CYS A 117 7.859 -6.691 11.049 1.00 73.33 H new ATOM 0 HA CYS A 117 5.325 -5.558 10.280 1.00 64.43 H new ATOM 0 HB2 CYS A 117 6.852 -7.946 9.160 1.00 24.21 H new ATOM 0 HB3 CYS A 117 5.598 -7.036 8.341 1.00 24.21 H new ATOM 0 HG CYS A 117 8.378 -6.449 7.543 1.00 60.20 H new ATOM 1873 N LYS A 118 4.978 -7.867 12.270 1.00 70.41 N ATOM 1874 CA LYS A 118 3.928 -8.611 13.031 1.00 43.52 C ATOM 1875 C LYS A 118 2.456 -8.188 12.698 1.00 4.23 C ATOM 1876 O LYS A 118 1.525 -8.994 12.867 1.00 31.30 O ATOM 1877 CB LYS A 118 4.156 -8.435 14.561 1.00 0.20 C ATOM 1878 CG LYS A 118 5.467 -9.037 15.104 1.00 3.34 C ATOM 1879 CD LYS A 118 5.529 -10.581 15.019 1.00 73.00 C ATOM 1880 CE LYS A 118 4.515 -11.275 15.955 1.00 1.11 C ATOM 1881 NZ LYS A 118 4.594 -12.763 15.851 1.00 15.44 N ATOM 0 H LYS A 118 5.786 -7.617 12.839 1.00 70.41 H new ATOM 0 HA LYS A 118 4.035 -9.651 12.722 1.00 43.52 H new ATOM 0 HB2 LYS A 118 4.140 -7.370 14.794 1.00 0.20 H new ATOM 0 HB3 LYS A 118 3.319 -8.890 15.091 1.00 0.20 H new ATOM 0 HG2 LYS A 118 6.306 -8.618 14.548 1.00 3.34 H new ATOM 0 HG3 LYS A 118 5.591 -8.735 16.144 1.00 3.34 H new ATOM 0 HD2 LYS A 118 5.339 -10.891 13.992 1.00 73.00 H new ATOM 0 HD3 LYS A 118 6.536 -10.914 15.271 1.00 73.00 H new ATOM 0 HE2 LYS A 118 4.704 -10.972 16.985 1.00 1.11 H new ATOM 0 HE3 LYS A 118 3.506 -10.946 15.706 1.00 1.11 H new ATOM 0 HZ1 LYS A 118 3.899 -13.193 16.494 1.00 15.44 H new ATOM 0 HZ2 LYS A 118 4.389 -13.054 14.874 1.00 15.44 H new ATOM 0 HZ3 LYS A 118 5.550 -13.079 16.113 1.00 15.44 H new ATOM 1895 N GLU A 119 2.268 -6.938 12.225 1.00 1.02 N ATOM 1896 CA GLU A 119 0.980 -6.427 11.674 1.00 73.05 C ATOM 1897 C GLU A 119 0.364 -7.401 10.630 1.00 45.50 C ATOM 1898 O GLU A 119 -0.852 -7.652 10.634 1.00 33.44 O ATOM 1899 CB GLU A 119 1.208 -5.021 11.026 1.00 72.25 C ATOM 1900 CG GLU A 119 2.203 -5.013 9.833 1.00 1.40 C ATOM 1901 CD GLU A 119 2.497 -3.631 9.230 1.00 3.15 C ATOM 1902 OE1 GLU A 119 1.563 -2.811 9.100 1.00 74.24 O ATOM 1903 OE2 GLU A 119 3.654 -3.376 8.845 1.00 70.22 O ATOM 0 H GLU A 119 3.012 -6.240 12.212 1.00 1.02 H new ATOM 0 HA GLU A 119 0.273 -6.346 12.500 1.00 73.05 H new ATOM 0 HB2 GLU A 119 0.248 -4.633 10.684 1.00 72.25 H new ATOM 0 HB3 GLU A 119 1.574 -4.337 11.792 1.00 72.25 H new ATOM 0 HG2 GLU A 119 3.143 -5.454 10.163 1.00 1.40 H new ATOM 0 HG3 GLU A 119 1.807 -5.657 9.047 1.00 1.40 H new ATOM 1910 N ALA A 120 1.234 -7.956 9.760 1.00 31.11 N ATOM 1911 CA ALA A 120 0.863 -8.931 8.723 1.00 42.02 C ATOM 1912 C ALA A 120 0.779 -10.356 9.305 1.00 63.01 C ATOM 1913 O ALA A 120 0.146 -11.231 8.701 1.00 2.42 O ATOM 1914 CB ALA A 120 1.886 -8.878 7.577 1.00 25.42 C ATOM 0 H ALA A 120 2.229 -7.733 9.762 1.00 31.11 H new ATOM 0 HA ALA A 120 -0.123 -8.672 8.338 1.00 42.02 H new ATOM 0 HB1 ALA A 120 1.610 -9.601 6.809 1.00 25.42 H new ATOM 0 HB2 ALA A 120 1.898 -7.877 7.146 1.00 25.42 H new ATOM 0 HB3 ALA A 120 2.877 -9.118 7.962 1.00 25.42 H new ATOM 1920 N ALA A 121 1.427 -10.585 10.479 1.00 12.22 N ATOM 1921 CA ALA A 121 1.417 -11.898 11.154 1.00 15.12 C ATOM 1922 C ALA A 121 0.034 -12.191 11.716 1.00 11.20 C ATOM 1923 O ALA A 121 -0.463 -13.305 11.584 1.00 41.33 O ATOM 1924 CB ALA A 121 2.494 -11.970 12.243 1.00 53.44 C ATOM 0 H ALA A 121 1.962 -9.871 10.973 1.00 12.22 H new ATOM 0 HA ALA A 121 1.653 -12.666 10.418 1.00 15.12 H new ATOM 0 HB1 ALA A 121 2.462 -12.949 12.722 1.00 53.44 H new ATOM 0 HB2 ALA A 121 3.476 -11.817 11.795 1.00 53.44 H new ATOM 0 HB3 ALA A 121 2.311 -11.195 12.988 1.00 53.44 H new ATOM 1930 N ASP A 122 -0.590 -11.155 12.303 1.00 53.12 N ATOM 1931 CA ASP A 122 -1.973 -11.226 12.802 1.00 13.34 C ATOM 1932 C ASP A 122 -2.933 -11.566 11.646 1.00 64.53 C ATOM 1933 O ASP A 122 -3.726 -12.508 11.741 1.00 13.03 O ATOM 1934 CB ASP A 122 -2.372 -9.879 13.464 1.00 24.23 C ATOM 1935 CG ASP A 122 -3.785 -9.907 14.086 1.00 51.21 C ATOM 1936 OD1 ASP A 122 -4.779 -9.640 13.372 1.00 52.40 O ATOM 1937 OD2 ASP A 122 -3.904 -10.185 15.300 1.00 2.41 O ATOM 0 H ASP A 122 -0.150 -10.246 12.444 1.00 53.12 H new ATOM 0 HA ASP A 122 -2.040 -12.013 13.553 1.00 13.34 H new ATOM 0 HB2 ASP A 122 -1.645 -9.632 14.238 1.00 24.23 H new ATOM 0 HB3 ASP A 122 -2.325 -9.086 12.718 1.00 24.23 H new ATOM 1942 N GLY A 123 -2.795 -10.797 10.539 1.00 65.31 N ATOM 1943 CA GLY A 123 -3.609 -10.984 9.332 1.00 11.42 C ATOM 1944 C GLY A 123 -3.382 -12.327 8.643 1.00 13.41 C ATOM 1945 O GLY A 123 -4.302 -12.863 8.012 1.00 32.44 O ATOM 0 H GLY A 123 -2.119 -10.037 10.466 1.00 65.31 H new ATOM 0 HA2 GLY A 123 -4.662 -10.895 9.597 1.00 11.42 H new ATOM 0 HA3 GLY A 123 -3.389 -10.182 8.628 1.00 11.42 H new ATOM 1949 N TYR A 124 -2.151 -12.874 8.792 1.00 32.50 N ATOM 1950 CA TYR A 124 -1.755 -14.164 8.197 1.00 21.20 C ATOM 1951 C TYR A 124 -2.665 -15.313 8.628 1.00 14.31 C ATOM 1952 O TYR A 124 -3.114 -16.081 7.776 1.00 71.13 O ATOM 1953 CB TYR A 124 -0.295 -14.510 8.561 1.00 33.52 C ATOM 1954 CG TYR A 124 0.164 -15.913 8.119 1.00 25.15 C ATOM 1955 CD1 TYR A 124 0.049 -16.322 6.787 1.00 53.25 C ATOM 1956 CD2 TYR A 124 0.713 -16.824 9.030 1.00 32.45 C ATOM 1957 CE1 TYR A 124 0.463 -17.575 6.385 1.00 5.25 C ATOM 1958 CE2 TYR A 124 1.127 -18.078 8.624 1.00 74.33 C ATOM 1959 CZ TYR A 124 1.002 -18.447 7.302 1.00 32.00 C ATOM 1960 OH TYR A 124 1.417 -19.700 6.894 1.00 10.04 O ATOM 0 H TYR A 124 -1.407 -12.429 9.330 1.00 32.50 H new ATOM 0 HA TYR A 124 -1.850 -14.045 7.118 1.00 21.20 H new ATOM 0 HB2 TYR A 124 0.363 -13.768 8.109 1.00 33.52 H new ATOM 0 HB3 TYR A 124 -0.175 -14.427 9.641 1.00 33.52 H new ATOM 0 HD1 TYR A 124 -0.372 -15.644 6.059 1.00 53.25 H new ATOM 0 HD2 TYR A 124 0.814 -16.542 10.067 1.00 32.45 H new ATOM 0 HE1 TYR A 124 0.364 -17.871 5.351 1.00 5.25 H new ATOM 0 HE2 TYR A 124 1.548 -18.768 9.341 1.00 74.33 H new ATOM 0 HH TYR A 124 1.775 -20.192 7.662 1.00 10.04 H new ATOM 1970 N GLN A 125 -2.906 -15.420 9.949 1.00 62.35 N ATOM 1971 CA GLN A 125 -3.763 -16.475 10.535 1.00 2.42 C ATOM 1972 C GLN A 125 -5.110 -16.619 9.784 1.00 32.41 C ATOM 1973 O GLN A 125 -5.587 -17.741 9.576 1.00 11.21 O ATOM 1974 CB GLN A 125 -3.988 -16.210 12.060 1.00 32.01 C ATOM 1975 CG GLN A 125 -2.924 -16.818 13.008 1.00 33.24 C ATOM 1976 CD GLN A 125 -1.475 -16.491 12.635 1.00 63.21 C ATOM 1977 OE1 GLN A 125 -0.818 -17.234 11.911 1.00 65.41 O ATOM 1978 NE2 GLN A 125 -0.983 -15.369 13.100 1.00 54.01 N ATOM 0 H GLN A 125 -2.514 -14.780 10.640 1.00 62.35 H new ATOM 0 HA GLN A 125 -3.240 -17.425 10.422 1.00 2.42 H new ATOM 0 HB2 GLN A 125 -4.021 -15.133 12.223 1.00 32.01 H new ATOM 0 HB3 GLN A 125 -4.965 -16.604 12.339 1.00 32.01 H new ATOM 0 HG2 GLN A 125 -3.114 -16.462 14.021 1.00 33.24 H new ATOM 0 HG3 GLN A 125 -3.046 -17.901 13.022 1.00 33.24 H new ATOM 0 HE21 GLN A 125 -1.553 -14.772 13.699 1.00 54.01 H new ATOM 0 HE22 GLN A 125 -0.030 -15.093 12.862 1.00 54.01 H new ATOM 1987 N ARG A 126 -5.689 -15.478 9.338 1.00 44.21 N ATOM 1988 CA ARG A 126 -6.938 -15.471 8.549 1.00 71.13 C ATOM 1989 C ARG A 126 -6.663 -15.821 7.070 1.00 52.14 C ATOM 1990 O ARG A 126 -7.467 -16.521 6.449 1.00 14.02 O ATOM 1991 CB ARG A 126 -7.638 -14.097 8.649 1.00 1.15 C ATOM 1992 CG ARG A 126 -9.017 -14.012 7.950 1.00 42.42 C ATOM 1993 CD ARG A 126 -9.652 -12.616 8.073 1.00 31.11 C ATOM 1994 NE ARG A 126 -8.784 -11.569 7.528 1.00 30.05 N ATOM 1995 CZ ARG A 126 -8.681 -10.309 7.989 1.00 33.14 C ATOM 1996 NH1 ARG A 126 -9.412 -9.892 9.030 1.00 13.35 N ATOM 1997 NH2 ARG A 126 -7.842 -9.474 7.396 1.00 62.43 N ATOM 0 H ARG A 126 -5.307 -14.549 9.514 1.00 44.21 H new ATOM 0 HA ARG A 126 -7.598 -16.232 8.964 1.00 71.13 H new ATOM 0 HB2 ARG A 126 -7.765 -13.847 9.702 1.00 1.15 H new ATOM 0 HB3 ARG A 126 -6.982 -13.340 8.219 1.00 1.15 H new ATOM 0 HG2 ARG A 126 -8.903 -14.265 6.896 1.00 42.42 H new ATOM 0 HG3 ARG A 126 -9.688 -14.753 8.385 1.00 42.42 H new ATOM 0 HD2 ARG A 126 -10.607 -12.605 7.548 1.00 31.11 H new ATOM 0 HD3 ARG A 126 -9.862 -12.404 9.121 1.00 31.11 H new ATOM 0 HE ARG A 126 -8.205 -11.818 6.726 1.00 30.05 H new ATOM 0 HH11 ARG A 126 -10.060 -10.533 9.487 1.00 13.35 H new ATOM 0 HH12 ARG A 126 -9.321 -8.933 9.366 1.00 13.35 H new ATOM 0 HH21 ARG A 126 -7.285 -9.789 6.602 1.00 62.43 H new ATOM 0 HH22 ARG A 126 -7.752 -8.516 7.734 1.00 62.43 H new ATOM 2011 N CYS A 127 -5.498 -15.378 6.537 1.00 73.15 N ATOM 2012 CA CYS A 127 -5.149 -15.556 5.107 1.00 52.54 C ATOM 2013 C CYS A 127 -4.989 -17.048 4.775 1.00 2.40 C ATOM 2014 O CYS A 127 -5.630 -17.565 3.850 1.00 14.11 O ATOM 2015 CB CYS A 127 -3.847 -14.789 4.768 1.00 43.42 C ATOM 2016 SG CYS A 127 -3.926 -13.006 5.059 1.00 45.30 S ATOM 0 H CYS A 127 -4.782 -14.893 7.079 1.00 73.15 H new ATOM 0 HA CYS A 127 -5.960 -15.150 4.502 1.00 52.54 H new ATOM 0 HB2 CYS A 127 -3.031 -15.205 5.360 1.00 43.42 H new ATOM 0 HB3 CYS A 127 -3.601 -14.962 3.720 1.00 43.42 H new ATOM 0 HG CYS A 127 -4.302 -12.782 6.283 1.00 45.30 H new ATOM 2022 N MET A 128 -4.148 -17.741 5.568 1.00 21.32 N ATOM 2023 CA MET A 128 -3.904 -19.182 5.409 1.00 63.41 C ATOM 2024 C MET A 128 -5.199 -19.997 5.630 1.00 63.12 C ATOM 2025 O MET A 128 -5.580 -20.792 4.766 1.00 43.35 O ATOM 2026 CB MET A 128 -2.761 -19.670 6.347 1.00 60.35 C ATOM 2027 CG MET A 128 -2.946 -19.342 7.838 1.00 12.21 C ATOM 2028 SD MET A 128 -1.697 -20.103 8.893 1.00 63.11 S ATOM 2029 CE MET A 128 -2.075 -21.844 8.693 1.00 53.30 C ATOM 0 H MET A 128 -3.623 -17.317 6.332 1.00 21.32 H new ATOM 0 HA MET A 128 -3.580 -19.350 4.382 1.00 63.41 H new ATOM 0 HB2 MET A 128 -2.662 -20.750 6.240 1.00 60.35 H new ATOM 0 HB3 MET A 128 -1.823 -19.229 6.009 1.00 60.35 H new ATOM 0 HG2 MET A 128 -2.916 -18.261 7.972 1.00 12.21 H new ATOM 0 HG3 MET A 128 -3.934 -19.675 8.157 1.00 12.21 H new ATOM 0 HE1 MET A 128 -1.634 -22.409 9.514 1.00 53.30 H new ATOM 0 HE2 MET A 128 -3.156 -21.984 8.696 1.00 53.30 H new ATOM 0 HE3 MET A 128 -1.665 -22.199 7.747 1.00 53.30 H new ATOM 2039 N MET A 129 -5.908 -19.742 6.751 1.00 2.11 N ATOM 2040 CA MET A 129 -7.099 -20.532 7.133 1.00 5.13 C ATOM 2041 C MET A 129 -8.241 -20.362 6.115 1.00 1.13 C ATOM 2042 O MET A 129 -9.053 -21.263 5.954 1.00 1.14 O ATOM 2043 CB MET A 129 -7.618 -20.174 8.564 1.00 71.15 C ATOM 2044 CG MET A 129 -8.528 -18.934 8.653 1.00 12.31 C ATOM 2045 SD MET A 129 -9.306 -18.732 10.265 1.00 43.35 S ATOM 2046 CE MET A 129 -10.574 -17.517 9.883 1.00 22.24 C ATOM 0 H MET A 129 -5.676 -18.996 7.407 1.00 2.11 H new ATOM 0 HA MET A 129 -6.778 -21.574 7.138 1.00 5.13 H new ATOM 0 HB2 MET A 129 -8.164 -21.032 8.958 1.00 71.15 H new ATOM 0 HB3 MET A 129 -6.757 -20.018 9.214 1.00 71.15 H new ATOM 0 HG2 MET A 129 -7.940 -18.044 8.427 1.00 12.31 H new ATOM 0 HG3 MET A 129 -9.303 -19.006 7.890 1.00 12.31 H new ATOM 0 HE1 MET A 129 -10.721 -16.862 10.742 1.00 22.24 H new ATOM 0 HE2 MET A 129 -10.262 -16.924 9.023 1.00 22.24 H new ATOM 0 HE3 MET A 129 -11.509 -18.027 9.652 1.00 22.24 H new ATOM 2056 N ALA A 130 -8.278 -19.188 5.439 1.00 65.13 N ATOM 2057 CA ALA A 130 -9.354 -18.814 4.501 1.00 61.33 C ATOM 2058 C ALA A 130 -9.534 -19.860 3.396 1.00 10.43 C ATOM 2059 O ALA A 130 -10.646 -20.343 3.172 1.00 21.31 O ATOM 2060 CB ALA A 130 -9.074 -17.432 3.900 1.00 41.12 C ATOM 0 H ALA A 130 -7.556 -18.473 5.533 1.00 65.13 H new ATOM 0 HA ALA A 130 -10.287 -18.773 5.062 1.00 61.33 H new ATOM 0 HB1 ALA A 130 -9.874 -17.167 3.209 1.00 41.12 H new ATOM 0 HB2 ALA A 130 -9.023 -16.692 4.698 1.00 41.12 H new ATOM 0 HB3 ALA A 130 -8.125 -17.454 3.364 1.00 41.12 H new ATOM 2066 N GLN A 131 -8.418 -20.220 2.737 1.00 42.50 N ATOM 2067 CA GLN A 131 -8.405 -21.299 1.732 1.00 74.32 C ATOM 2068 C GLN A 131 -8.537 -22.683 2.394 1.00 34.24 C ATOM 2069 O GLN A 131 -9.057 -23.610 1.775 1.00 32.45 O ATOM 2070 CB GLN A 131 -7.132 -21.229 0.838 1.00 33.54 C ATOM 2071 CG GLN A 131 -5.810 -21.057 1.599 1.00 53.25 C ATOM 2072 CD GLN A 131 -4.575 -21.154 0.702 1.00 33.32 C ATOM 2073 OE1 GLN A 131 -4.592 -21.819 -0.331 1.00 1.55 O ATOM 2074 NE2 GLN A 131 -3.487 -20.538 1.100 1.00 24.14 N ATOM 0 H GLN A 131 -7.510 -19.778 2.883 1.00 42.50 H new ATOM 0 HA GLN A 131 -9.272 -21.153 1.088 1.00 74.32 H new ATOM 0 HB2 GLN A 131 -7.075 -22.140 0.243 1.00 33.54 H new ATOM 0 HB3 GLN A 131 -7.242 -20.399 0.140 1.00 33.54 H new ATOM 0 HG2 GLN A 131 -5.811 -20.089 2.100 1.00 53.25 H new ATOM 0 HG3 GLN A 131 -5.746 -21.818 2.377 1.00 53.25 H new ATOM 0 HE21 GLN A 131 -3.496 -19.991 1.961 1.00 24.14 H new ATOM 0 HE22 GLN A 131 -2.632 -20.606 0.548 1.00 24.14 H new ATOM 2083 N TYR A 132 -8.088 -22.827 3.658 1.00 15.44 N ATOM 2084 CA TYR A 132 -8.132 -24.129 4.373 1.00 75.14 C ATOM 2085 C TYR A 132 -9.386 -24.232 5.271 1.00 55.03 C ATOM 2086 O TYR A 132 -9.353 -24.868 6.330 1.00 61.45 O ATOM 2087 CB TYR A 132 -6.835 -24.301 5.230 1.00 42.12 C ATOM 2088 CG TYR A 132 -5.509 -24.087 4.478 1.00 2.45 C ATOM 2089 CD1 TYR A 132 -5.380 -24.376 3.118 1.00 25.21 C ATOM 2090 CD2 TYR A 132 -4.388 -23.572 5.140 1.00 4.25 C ATOM 2091 CE1 TYR A 132 -4.195 -24.155 2.449 1.00 70.42 C ATOM 2092 CE2 TYR A 132 -3.202 -23.353 4.471 1.00 0.14 C ATOM 2093 CZ TYR A 132 -3.108 -23.646 3.130 1.00 24.13 C ATOM 2094 OH TYR A 132 -1.925 -23.420 2.461 1.00 32.34 O ATOM 0 H TYR A 132 -7.692 -22.064 4.207 1.00 15.44 H new ATOM 0 HA TYR A 132 -8.186 -24.928 3.633 1.00 75.14 H new ATOM 0 HB2 TYR A 132 -6.876 -23.600 6.064 1.00 42.12 H new ATOM 0 HB3 TYR A 132 -6.833 -25.304 5.656 1.00 42.12 H new ATOM 0 HD1 TYR A 132 -6.225 -24.780 2.580 1.00 25.21 H new ATOM 0 HD2 TYR A 132 -4.453 -23.342 6.193 1.00 4.25 H new ATOM 0 HE1 TYR A 132 -4.118 -24.379 1.395 1.00 70.42 H new ATOM 0 HE2 TYR A 132 -2.349 -22.952 4.999 1.00 0.14 H new ATOM 0 HH TYR A 132 -1.260 -23.059 3.084 1.00 32.34 H new ATOM 2104 N ASN A 133 -10.505 -23.648 4.816 1.00 72.42 N ATOM 2105 CA ASN A 133 -11.815 -23.731 5.501 1.00 51.33 C ATOM 2106 C ASN A 133 -12.675 -24.824 4.814 1.00 32.45 C ATOM 2107 O ASN A 133 -13.359 -24.523 3.810 1.00 4.11 O ATOM 2108 CB ASN A 133 -12.532 -22.326 5.522 1.00 10.13 C ATOM 2109 CG ASN A 133 -12.453 -21.603 6.872 1.00 1.32 C ATOM 2110 OD1 ASN A 133 -13.269 -21.851 7.762 1.00 33.12 O ATOM 2111 ND2 ASN A 133 -11.518 -20.679 7.034 1.00 51.14 N ATOM 2112 OXT ASN A 133 -12.626 -25.994 5.257 1.00 38.09 O ATOM 0 H ASN A 133 -10.532 -23.100 3.956 1.00 72.42 H new ATOM 0 HA ASN A 133 -11.670 -24.014 6.544 1.00 51.33 H new ATOM 0 HB2 ASN A 133 -12.087 -21.691 4.756 1.00 10.13 H new ATOM 0 HB3 ASN A 133 -13.580 -22.461 5.255 1.00 10.13 H new ATOM 0 HD21 ASN A 133 -11.463 -20.157 7.908 1.00 51.14 H new ATOM 0 HD22 ASN A 133 -10.853 -20.490 6.284 1.00 51.14 H new