USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 141 HIS : no HD1:sc= -0.498 K(o=-6,f=-3.1) USER MOD Set 1.2: A 145 GLN : amide:sc= -5.54! C(o=-6!,f=-3.1!) USER MOD Set 2.1: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0511) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.984 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0753 K(o=-0.075,f=-0.92) USER MOD Single : A 97 THR OG1 : rot -88:sc= -1.5 USER MOD Single : A 100 GLN : amide:sc= 0.0471 X(o=0.047,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.48) USER MOD Single : A 104 GLN : amide:sc= -4.84! C(o=-4.8!,f=-11!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 40:sc= 0.0382 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 157:sc= -0.0243 (180deg=-0.635) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 132 SER OG : rot 180:sc= 0.065 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.98) USER MOD Single : A 136 THR OG1 : rot 11:sc= -0.54 USER MOD Single : B 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 224 N CYS A 85 27.899 0.111 -24.391 1.00 41.44 N ATOM 225 CA CYS A 85 29.264 0.339 -24.851 1.00 10.24 C ATOM 226 C CYS A 85 29.382 0.090 -26.350 1.00 23.33 C ATOM 227 O CYS A 85 29.953 0.899 -27.080 1.00 44.32 O ATOM 228 CB CYS A 85 30.237 -0.566 -24.093 1.00 12.32 C ATOM 229 SG CYS A 85 30.496 -0.091 -22.368 1.00 24.32 S ATOM 0 HA CYS A 85 29.518 1.380 -24.654 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.864 -1.590 -24.125 1.00 12.32 H new ATOM 0 HB3 CYS A 85 31.198 -0.561 -24.608 1.00 12.32 H new ATOM 0 HG CYS A 85 31.332 -0.917 -21.811 1.00 24.32 H new ATOM 235 N GLU A 86 28.838 -1.036 -26.803 1.00 41.31 N ATOM 236 CA GLU A 86 28.884 -1.392 -28.216 1.00 23.33 C ATOM 237 C GLU A 86 28.365 -0.248 -29.082 1.00 54.43 C ATOM 238 O GLU A 86 28.769 -0.095 -30.236 1.00 14.41 O ATOM 239 CB GLU A 86 28.060 -2.656 -28.473 1.00 70.34 C ATOM 240 CG GLU A 86 28.599 -3.513 -29.606 1.00 12.31 C ATOM 241 CD GLU A 86 27.605 -4.560 -30.069 1.00 71.01 C ATOM 242 OE1 GLU A 86 28.043 -5.645 -30.504 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.386 -4.295 -29.995 1.00 72.23 O1- ATOM 0 H GLU A 86 28.361 -1.717 -26.212 1.00 41.31 H new ATOM 0 HA GLU A 86 29.923 -1.584 -28.483 1.00 23.33 H new ATOM 0 HB2 GLU A 86 28.030 -3.252 -27.561 1.00 70.34 H new ATOM 0 HB3 GLU A 86 27.033 -2.370 -28.701 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.864 -2.872 -30.447 1.00 12.31 H new ATOM 0 HG3 GLU A 86 29.515 -4.006 -29.280 1.00 12.31 H new ATOM 250 N LYS A 87 27.468 0.553 -28.519 1.00 3.45 N ATOM 251 CA LYS A 87 26.893 1.684 -29.238 1.00 44.40 C ATOM 252 C LYS A 87 27.986 2.541 -29.868 1.00 54.55 C ATOM 253 O LYS A 87 27.765 3.196 -30.886 1.00 13.23 O ATOM 254 CB LYS A 87 26.043 2.536 -28.292 1.00 41.11 C ATOM 255 CG LYS A 87 24.944 1.757 -27.593 1.00 30.21 C ATOM 256 CD LYS A 87 23.933 1.206 -28.585 1.00 62.43 C ATOM 257 CE LYS A 87 24.189 -0.263 -28.884 1.00 44.42 C ATOM 258 NZ LYS A 87 23.805 -0.622 -30.277 1.00 70.52 N1+ ATOM 0 H LYS A 87 27.123 0.440 -27.566 1.00 3.45 H new ATOM 0 HA LYS A 87 26.259 1.293 -30.034 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.692 2.986 -27.541 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.594 3.353 -28.857 1.00 41.11 H new ATOM 0 HG2 LYS A 87 25.383 0.936 -27.026 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.437 2.404 -26.877 1.00 30.21 H new ATOM 0 HD2 LYS A 87 22.926 1.327 -28.185 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.979 1.780 -29.510 1.00 62.43 H new ATOM 0 HE2 LYS A 87 25.245 -0.486 -28.730 1.00 44.42 H new ATOM 0 HE3 LYS A 87 23.627 -0.879 -28.182 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 23.995 -1.631 -30.440 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 22.792 -0.433 -30.417 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 24.359 -0.052 -30.948 1.00 70.52 H new ATOM 272 N TYR A 88 29.166 2.529 -29.258 1.00 73.21 N ATOM 273 CA TYR A 88 30.293 3.306 -29.759 1.00 74.10 C ATOM 274 C TYR A 88 30.488 3.079 -31.255 1.00 50.10 C ATOM 275 O TYR A 88 30.936 3.970 -31.978 1.00 0.51 O ATOM 276 CB TYR A 88 31.571 2.934 -29.005 1.00 0.31 C ATOM 277 CG TYR A 88 32.309 1.759 -29.605 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.762 0.482 -29.574 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.552 1.924 -30.201 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.432 -0.596 -30.119 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.230 0.852 -30.750 1.00 45.43 C ATOM 282 CZ TYR A 88 33.665 -0.405 -30.708 1.00 51.51 C ATOM 283 OH TYR A 88 34.337 -1.476 -31.252 1.00 33.11 O ATOM 0 H TYR A 88 29.367 1.990 -28.416 1.00 73.21 H new ATOM 0 HA TYR A 88 30.076 4.361 -29.595 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.236 3.798 -28.985 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.318 2.703 -27.970 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.796 0.330 -29.116 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.997 2.907 -30.236 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.993 -1.582 -30.084 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.197 0.998 -31.209 1.00 45.43 H new ATOM 0 HH TYR A 88 35.189 -1.171 -31.628 1.00 33.11 H new ATOM 293 N LYS A 89 30.151 1.879 -31.714 1.00 34.53 N ATOM 294 CA LYS A 89 30.286 1.532 -33.124 1.00 32.43 C ATOM 295 C LYS A 89 29.345 2.371 -33.983 1.00 22.43 C ATOM 296 O LYS A 89 29.788 3.124 -34.849 1.00 3.10 O ATOM 297 CB LYS A 89 29.995 0.044 -33.335 1.00 53.34 C ATOM 298 CG LYS A 89 30.368 -0.458 -34.719 1.00 63.43 C ATOM 299 CD LYS A 89 29.242 -0.237 -35.714 1.00 14.45 C ATOM 300 CE LYS A 89 29.329 -1.209 -36.880 1.00 72.22 C ATOM 301 NZ LYS A 89 30.619 -1.082 -37.613 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.782 1.129 -31.129 1.00 34.53 H new ATOM 0 HA LYS A 89 31.312 1.742 -33.427 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.541 -0.534 -32.589 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.934 -0.138 -33.165 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.265 0.056 -35.064 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.608 -1.520 -34.669 1.00 63.43 H new ATOM 0 HD2 LYS A 89 28.282 -0.356 -35.211 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.281 0.786 -36.088 1.00 14.45 H new ATOM 0 HE2 LYS A 89 29.220 -2.229 -36.511 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.502 -1.028 -37.566 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 30.580 -1.647 -38.485 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.784 -0.084 -37.854 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 31.395 -1.426 -37.012 1.00 43.33 H new ATOM 315 N GLN A 90 28.046 2.235 -33.737 1.00 2.13 N ATOM 316 CA GLN A 90 27.044 2.982 -34.488 1.00 14.13 C ATOM 317 C GLN A 90 27.299 4.482 -34.392 1.00 2.13 C ATOM 318 O GLN A 90 27.250 5.196 -35.394 1.00 41.43 O ATOM 319 CB GLN A 90 25.641 2.655 -33.972 1.00 44.13 C ATOM 320 CG GLN A 90 24.858 1.725 -34.883 1.00 72.41 C ATOM 321 CD GLN A 90 23.436 1.502 -34.407 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.742 2.444 -34.022 1.00 14.22 O ATOM 323 NE2 GLN A 90 22.994 0.250 -34.430 1.00 61.02 N ATOM 0 H GLN A 90 27.663 1.615 -33.024 1.00 2.13 H new ATOM 0 HA GLN A 90 27.115 2.687 -35.535 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.723 2.199 -32.985 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.083 3.583 -33.849 1.00 44.13 H new ATOM 0 HG2 GLN A 90 24.839 2.141 -35.890 1.00 72.41 H new ATOM 0 HG3 GLN A 90 25.371 0.765 -34.944 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.603 -0.500 -34.757 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.045 0.038 -34.121 1.00 61.02 H new ATOM 332 N THR A 91 27.569 4.955 -33.180 1.00 22.11 N ATOM 333 CA THR A 91 27.829 6.371 -32.952 1.00 23.40 C ATOM 334 C THR A 91 29.018 6.851 -33.777 1.00 53.31 C ATOM 335 O THR A 91 28.907 7.804 -34.549 1.00 13.14 O ATOM 336 CB THR A 91 28.102 6.660 -31.464 1.00 43.34 C ATOM 337 OG1 THR A 91 29.278 5.965 -31.037 1.00 21.23 O ATOM 338 CG2 THR A 91 26.918 6.239 -30.605 1.00 21.32 C ATOM 0 H THR A 91 27.613 4.378 -32.340 1.00 22.11 H new ATOM 0 HA THR A 91 26.934 6.910 -33.261 1.00 23.40 H new ATOM 0 HB THR A 91 28.253 7.733 -31.347 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.536 6.277 -30.144 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.134 6.453 -29.558 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.030 6.792 -30.913 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.741 5.171 -30.728 1.00 21.32 H new ATOM 346 N LYS A 92 30.155 6.184 -33.610 1.00 31.12 N ATOM 347 CA LYS A 92 31.365 6.542 -34.341 1.00 63.03 C ATOM 348 C LYS A 92 31.098 6.598 -35.842 1.00 75.23 C ATOM 349 O LYS A 92 31.543 7.518 -36.526 1.00 51.33 O ATOM 350 CB LYS A 92 32.479 5.533 -34.048 1.00 4.45 C ATOM 351 CG LYS A 92 33.839 5.959 -34.572 1.00 1.42 C ATOM 352 CD LYS A 92 34.950 5.594 -33.603 1.00 63.25 C ATOM 353 CE LYS A 92 34.853 6.398 -32.315 1.00 65.32 C ATOM 354 NZ LYS A 92 36.132 6.380 -31.552 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.264 5.393 -32.975 1.00 31.12 H new ATOM 0 HA LYS A 92 31.681 7.531 -34.009 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.546 5.381 -32.971 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.213 4.573 -34.490 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.024 5.483 -35.535 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.843 7.036 -34.743 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.899 4.530 -33.373 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.917 5.773 -34.073 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.584 7.428 -32.549 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.054 5.994 -31.694 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.025 6.939 -30.681 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.376 5.399 -31.306 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.890 6.789 -32.135 1.00 44.20 H new ATOM 368 N GLU A 93 30.368 5.608 -36.346 1.00 42.21 N ATOM 369 CA GLU A 93 30.042 5.547 -37.766 1.00 71.42 C ATOM 370 C GLU A 93 29.231 6.767 -38.191 1.00 60.11 C ATOM 371 O GLU A 93 29.506 7.378 -39.223 1.00 73.42 O ATOM 372 CB GLU A 93 29.262 4.269 -38.078 1.00 74.41 C ATOM 373 CG GLU A 93 28.753 4.200 -39.508 1.00 73.24 C ATOM 374 CD GLU A 93 28.416 2.786 -39.940 1.00 1.03 C ATOM 375 OE1 GLU A 93 28.573 1.860 -39.118 1.00 63.11 O ATOM 376 OE2 GLU A 93 27.993 2.606 -41.102 1.00 60.10 O1- ATOM 0 H GLU A 93 29.992 4.838 -35.793 1.00 42.21 H new ATOM 0 HA GLU A 93 30.977 5.540 -38.327 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.902 3.407 -37.887 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.415 4.195 -37.396 1.00 74.41 H new ATOM 0 HG2 GLU A 93 27.866 4.826 -39.605 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.508 4.611 -40.179 1.00 73.24 H new ATOM 383 N GLN A 94 28.232 7.115 -37.388 1.00 40.54 N ATOM 384 CA GLN A 94 27.380 8.261 -37.681 1.00 30.21 C ATOM 385 C GLN A 94 28.191 9.554 -37.692 1.00 52.42 C ATOM 386 O GLN A 94 27.911 10.466 -38.469 1.00 15.43 O ATOM 387 CB GLN A 94 26.252 8.363 -36.653 1.00 23.31 C ATOM 388 CG GLN A 94 25.194 7.281 -36.802 1.00 1.33 C ATOM 389 CD GLN A 94 24.212 7.261 -35.648 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.443 8.204 -35.455 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.233 6.184 -34.870 1.00 14.24 N ATOM 0 H GLN A 94 27.992 6.620 -36.529 1.00 40.54 H new ATOM 0 HA GLN A 94 26.948 8.115 -38.671 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.678 8.307 -35.651 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.776 9.340 -36.743 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.650 7.436 -37.734 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.682 6.309 -36.876 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.886 5.426 -35.066 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.596 6.115 -34.077 1.00 14.24 H new ATOM 400 N ALA A 95 29.195 9.623 -36.825 1.00 25.00 N ATOM 401 CA ALA A 95 30.047 10.802 -36.736 1.00 45.15 C ATOM 402 C ALA A 95 30.901 10.959 -37.990 1.00 70.10 C ATOM 403 O ALA A 95 30.803 11.961 -38.699 1.00 11.14 O ATOM 404 CB ALA A 95 30.931 10.723 -35.500 1.00 72.43 C ATOM 0 H ALA A 95 29.438 8.876 -36.174 1.00 25.00 H new ATOM 0 HA ALA A 95 29.404 11.678 -36.654 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.562 11.610 -35.447 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.306 10.668 -34.609 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.559 9.834 -35.558 1.00 72.43 H new ATOM 410 N LEU A 96 31.737 9.963 -38.258 1.00 21.34 N ATOM 411 CA LEU A 96 32.609 9.989 -39.428 1.00 71.41 C ATOM 412 C LEU A 96 31.802 10.204 -40.704 1.00 65.14 C ATOM 413 O LEU A 96 32.232 10.918 -41.611 1.00 60.24 O ATOM 414 CB LEU A 96 33.404 8.686 -39.526 1.00 41.41 C ATOM 415 CG LEU A 96 32.592 7.395 -39.414 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.130 6.934 -40.788 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.410 6.308 -38.733 1.00 62.41 C ATOM 0 H LEU A 96 31.830 9.127 -37.681 1.00 21.34 H new ATOM 0 HA LEU A 96 33.303 10.822 -39.315 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.933 8.677 -40.479 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.160 8.685 -38.741 1.00 41.41 H new ATOM 0 HG LEU A 96 31.711 7.595 -38.805 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.554 6.014 -40.688 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.507 7.705 -41.240 1.00 0.51 H new ATOM 0 HD13 LEU A 96 32.998 6.752 -41.421 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.816 5.397 -38.662 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.310 6.111 -39.316 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.691 6.637 -37.733 1.00 62.41 H new ATOM 429 N THR A 97 30.628 9.583 -40.767 1.00 53.12 N ATOM 430 CA THR A 97 29.759 9.707 -41.931 1.00 4.23 C ATOM 431 C THR A 97 29.301 11.147 -42.124 1.00 42.31 C ATOM 432 O THR A 97 29.359 11.685 -43.230 1.00 43.35 O ATOM 433 CB THR A 97 28.522 8.797 -41.808 1.00 75.23 C ATOM 434 OG1 THR A 97 27.940 8.938 -40.507 1.00 52.14 O ATOM 435 CG2 THR A 97 28.894 7.342 -42.048 1.00 3.45 C ATOM 0 H THR A 97 30.257 8.989 -40.025 1.00 53.12 H new ATOM 0 HA THR A 97 30.344 9.396 -42.797 1.00 4.23 H new ATOM 0 HB THR A 97 27.798 9.099 -42.565 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.361 8.304 -39.890 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.004 6.719 -41.956 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.311 7.233 -43.049 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.634 7.029 -41.311 1.00 3.45 H new ATOM 443 N PHE A 98 28.844 11.768 -41.041 1.00 64.32 N ATOM 444 CA PHE A 98 28.374 13.147 -41.092 1.00 20.12 C ATOM 445 C PHE A 98 29.542 14.113 -41.274 1.00 70.44 C ATOM 446 O PHE A 98 29.379 15.206 -41.818 1.00 24.53 O ATOM 447 CB PHE A 98 27.606 13.494 -39.815 1.00 4.32 C ATOM 448 CG PHE A 98 28.224 14.615 -39.029 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.955 15.935 -39.353 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.072 14.348 -37.966 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.523 16.969 -38.631 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.640 15.378 -37.241 1.00 2.32 C ATOM 453 CZ PHE A 98 29.367 16.690 -37.574 1.00 14.52 C ATOM 0 H PHE A 98 28.789 11.338 -40.118 1.00 64.32 H new ATOM 0 HA PHE A 98 27.706 13.246 -41.948 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.584 13.766 -40.078 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.548 12.607 -39.184 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.295 16.159 -40.178 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.291 13.324 -37.701 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.307 17.994 -38.894 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.298 15.157 -36.413 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.812 17.496 -37.009 1.00 14.52 H new ATOM 463 N PHE A 99 30.719 13.702 -40.815 1.00 61.53 N ATOM 464 CA PHE A 99 31.914 14.530 -40.926 1.00 61.41 C ATOM 465 C PHE A 99 32.505 14.449 -42.330 1.00 60.30 C ATOM 466 O PHE A 99 33.028 15.433 -42.852 1.00 64.11 O ATOM 467 CB PHE A 99 32.959 14.096 -39.894 1.00 43.00 C ATOM 468 CG PHE A 99 34.250 14.857 -39.993 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.321 14.340 -40.704 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.392 16.088 -39.373 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.510 15.039 -40.795 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.579 16.790 -39.461 1.00 44.24 C ATOM 473 CZ PHE A 99 36.640 16.266 -40.174 1.00 54.34 C ATOM 0 H PHE A 99 30.871 12.801 -40.363 1.00 61.53 H new ATOM 0 HA PHE A 99 31.628 15.564 -40.731 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.546 14.225 -38.894 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.163 13.033 -40.020 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.226 13.381 -41.192 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.566 16.503 -38.815 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.338 14.626 -41.352 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.677 17.748 -38.972 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.568 16.814 -40.246 1.00 54.34 H new ATOM 483 N GLN A 100 32.417 13.269 -42.935 1.00 31.14 N ATOM 484 CA GLN A 100 32.943 13.059 -44.278 1.00 2.22 C ATOM 485 C GLN A 100 31.937 13.503 -45.333 1.00 64.05 C ATOM 486 O GLN A 100 32.307 14.080 -46.355 1.00 14.00 O ATOM 487 CB GLN A 100 33.300 11.586 -44.485 1.00 53.03 C ATOM 488 CG GLN A 100 34.540 11.147 -43.724 1.00 64.35 C ATOM 489 CD GLN A 100 34.746 9.646 -43.758 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.793 9.160 -44.188 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.745 8.899 -43.304 1.00 14.41 N ATOM 0 H GLN A 100 31.987 12.444 -42.517 1.00 31.14 H new ATOM 0 HA GLN A 100 33.844 13.663 -44.385 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.456 10.969 -44.175 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.454 11.404 -45.549 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.415 11.639 -44.148 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.461 11.475 -42.688 1.00 64.35 H new ATOM 0 HE21 GLN A 100 32.895 9.342 -42.956 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.827 7.882 -43.303 1.00 14.41 H new ATOM 500 N GLU A 101 30.660 13.230 -45.079 1.00 35.51 N ATOM 501 CA GLU A 101 29.600 13.601 -46.009 1.00 4.42 C ATOM 502 C GLU A 101 29.371 15.110 -45.998 1.00 73.11 C ATOM 503 O GLU A 101 29.131 15.720 -47.041 1.00 13.41 O ATOM 504 CB GLU A 101 28.301 12.876 -45.652 1.00 74.32 C ATOM 505 CG GLU A 101 28.345 11.381 -45.926 1.00 62.12 C ATOM 506 CD GLU A 101 27.139 10.650 -45.367 1.00 61.35 C ATOM 507 OE1 GLU A 101 26.372 11.270 -44.602 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.966 9.457 -45.694 1.00 61.22 O1- ATOM 0 H GLU A 101 30.335 12.754 -44.238 1.00 35.51 H new ATOM 0 HA GLU A 101 29.910 13.304 -47.011 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.083 13.037 -44.596 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.481 13.317 -46.218 1.00 74.32 H new ATOM 0 HG2 GLU A 101 28.400 11.214 -47.002 1.00 62.12 H new ATOM 0 HG3 GLU A 101 29.253 10.962 -45.491 1.00 62.12 H new ATOM 515 N HIS A 102 29.447 15.706 -44.813 1.00 15.43 N ATOM 516 CA HIS A 102 29.248 17.143 -44.665 1.00 21.40 C ATOM 517 C HIS A 102 30.333 17.755 -43.784 1.00 72.54 C ATOM 518 O HIS A 102 30.083 18.183 -42.657 1.00 40.35 O ATOM 519 CB HIS A 102 27.869 17.430 -44.069 1.00 2.24 C ATOM 520 CG HIS A 102 27.295 18.747 -44.494 1.00 13.40 C ATOM 521 ND1 HIS A 102 27.396 19.232 -45.781 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.610 19.681 -43.794 1.00 34.24 C ATOM 523 CE1 HIS A 102 26.799 20.408 -45.855 1.00 44.23 C ATOM 524 NE2 HIS A 102 26.313 20.703 -44.662 1.00 62.12 N ATOM 0 H HIS A 102 29.645 15.216 -43.941 1.00 15.43 H new ATOM 0 HA HIS A 102 29.310 17.596 -45.654 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.184 16.634 -44.360 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.941 17.408 -42.982 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.346 19.632 -42.748 1.00 34.24 H new ATOM 0 HE1 HIS A 102 26.721 21.023 -46.739 1.00 44.23 H new ATOM 0 HE2 HIS A 102 25.800 21.552 -44.424 1.00 62.12 H new ATOM 533 N PRO A 103 31.567 17.797 -44.307 1.00 40.25 N ATOM 534 CA PRO A 103 32.715 18.354 -43.586 1.00 34.11 C ATOM 535 C PRO A 103 32.624 19.868 -43.430 1.00 22.13 C ATOM 536 O PRO A 103 33.343 20.613 -44.094 1.00 74.22 O ATOM 537 CB PRO A 103 33.906 17.979 -44.470 1.00 54.42 C ATOM 538 CG PRO A 103 33.332 17.832 -45.837 1.00 30.51 C ATOM 539 CD PRO A 103 31.937 17.305 -45.646 1.00 20.03 C ATOM 0 HA PRO A 103 32.783 17.967 -42.569 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.676 18.750 -44.445 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.372 17.052 -44.134 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.320 18.788 -46.360 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.929 17.147 -46.439 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.258 17.678 -46.413 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.908 16.217 -45.696 1.00 20.03 H new ATOM 547 N GLN A 104 31.734 20.314 -42.549 1.00 53.52 N ATOM 548 CA GLN A 104 31.549 21.741 -42.307 1.00 32.12 C ATOM 549 C GLN A 104 32.877 22.412 -41.972 1.00 3.31 C ATOM 550 O GLN A 104 33.123 23.553 -42.367 1.00 4.35 O ATOM 551 CB GLN A 104 30.551 21.961 -41.168 1.00 52.22 C ATOM 552 CG GLN A 104 29.615 23.136 -41.399 1.00 72.42 C ATOM 553 CD GLN A 104 28.556 23.259 -40.321 1.00 53.42 C ATOM 554 OE1 GLN A 104 28.844 23.665 -39.195 1.00 50.22 O ATOM 555 NE2 GLN A 104 27.321 22.908 -40.662 1.00 43.34 N ATOM 0 H GLN A 104 31.131 19.709 -41.992 1.00 53.52 H new ATOM 0 HA GLN A 104 31.155 22.191 -43.218 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.959 21.056 -41.035 1.00 52.22 H new ATOM 0 HB3 GLN A 104 31.100 22.122 -40.240 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.197 24.057 -41.438 1.00 72.42 H new ATOM 0 HG3 GLN A 104 29.130 23.024 -42.369 1.00 72.42 H new ATOM 0 HE21 GLN A 104 27.128 22.577 -41.607 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.566 22.970 -39.979 1.00 43.34 H new ATOM 564 N TYR A 105 33.728 21.700 -41.242 1.00 14.32 N ATOM 565 CA TYR A 105 35.029 22.229 -40.852 1.00 65.43 C ATOM 566 C TYR A 105 35.817 22.694 -42.073 1.00 72.42 C ATOM 567 O TYR A 105 36.567 23.666 -42.008 1.00 15.51 O ATOM 568 CB TYR A 105 35.826 21.168 -40.090 1.00 13.44 C ATOM 569 CG TYR A 105 37.176 21.653 -39.612 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.348 21.036 -40.033 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.280 22.729 -38.740 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.582 21.475 -39.598 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.511 23.177 -38.300 1.00 62.22 C ATOM 574 CZ TYR A 105 39.659 22.546 -38.732 1.00 63.32 C ATOM 575 OH TYR A 105 40.889 22.987 -38.297 1.00 2.35 O ATOM 0 H TYR A 105 33.540 20.755 -40.908 1.00 14.32 H new ATOM 0 HA TYR A 105 34.864 23.088 -40.201 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.244 20.835 -39.231 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.968 20.300 -40.734 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.292 20.198 -40.712 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.383 23.224 -38.400 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.483 20.983 -39.934 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.574 24.016 -37.622 1.00 62.22 H new ATOM 0 HH TYR A 105 40.768 23.750 -37.693 1.00 2.35 H new ATOM 585 N MET A 106 35.638 21.990 -43.187 1.00 2.13 N ATOM 586 CA MET A 106 36.330 22.330 -44.424 1.00 12.33 C ATOM 587 C MET A 106 35.654 23.508 -45.119 1.00 34.43 C ATOM 588 O MET A 106 36.279 24.220 -45.905 1.00 14.31 O ATOM 589 CB MET A 106 36.368 21.123 -45.363 1.00 2.20 C ATOM 590 CG MET A 106 37.473 21.195 -46.403 1.00 33.23 C ATOM 591 SD MET A 106 39.118 21.031 -45.681 1.00 45.54 S ATOM 592 CE MET A 106 40.125 21.780 -46.958 1.00 62.30 C ATOM 0 H MET A 106 35.020 21.182 -43.258 1.00 2.13 H new ATOM 0 HA MET A 106 37.351 22.616 -44.172 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.496 20.217 -44.771 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.407 21.038 -45.871 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.324 20.407 -47.141 1.00 33.23 H new ATOM 0 HG3 MET A 106 37.406 22.145 -46.933 1.00 33.23 H new ATOM 0 HE1 MET A 106 41.172 21.754 -46.657 1.00 62.30 H new ATOM 0 HE2 MET A 106 40.001 21.228 -47.890 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.815 22.815 -47.106 1.00 62.30 H new ATOM 602 N ARG A 107 34.373 23.707 -44.825 1.00 64.32 N ATOM 603 CA ARG A 107 33.613 24.797 -45.423 1.00 35.05 C ATOM 604 C ARG A 107 33.892 26.114 -44.704 1.00 22.20 C ATOM 605 O ARG A 107 34.155 27.135 -45.338 1.00 15.10 O ATOM 606 CB ARG A 107 32.114 24.487 -45.377 1.00 40.51 C ATOM 607 CG ARG A 107 31.773 23.067 -45.800 1.00 44.25 C ATOM 608 CD ARG A 107 32.302 22.759 -47.193 1.00 14.22 C ATOM 609 NE ARG A 107 31.859 23.742 -48.177 1.00 62.33 N ATOM 610 CZ ARG A 107 32.153 23.673 -49.471 1.00 43.41 C ATOM 611 NH1 ARG A 107 32.888 22.671 -49.933 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 31.712 24.606 -50.304 1.00 71.14 N ATOM 0 H ARG A 107 33.840 23.127 -44.176 1.00 64.32 H new ATOM 0 HA ARG A 107 33.926 24.897 -46.462 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.748 24.653 -44.364 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.587 25.187 -46.025 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.196 22.362 -45.085 1.00 44.25 H new ATOM 0 HG3 ARG A 107 30.692 22.930 -45.782 1.00 44.25 H new ATOM 0 HD2 ARG A 107 33.391 22.735 -47.170 1.00 14.22 H new ATOM 0 HD3 ARG A 107 31.968 21.767 -47.496 1.00 14.22 H new ATOM 0 HE ARG A 107 31.292 24.526 -47.853 1.00 62.33 H new ATOM 0 HH11 ARG A 107 33.229 21.952 -49.295 1.00 11.24 H new ATOM 0 HH12 ARG A 107 33.113 22.619 -50.927 1.00 11.24 H new ATOM 0 HH21 ARG A 107 31.146 25.378 -49.952 1.00 71.14 H new ATOM 0 HH22 ARG A 107 31.939 24.551 -51.297 1.00 71.14 H new ATOM 626 N SER A 108 33.832 26.081 -43.377 1.00 32.45 N ATOM 627 CA SER A 108 34.075 27.273 -42.571 1.00 62.54 C ATOM 628 C SER A 108 34.529 26.895 -41.165 1.00 72.04 C ATOM 629 O SER A 108 33.780 26.286 -40.401 1.00 3.11 O ATOM 630 CB SER A 108 32.810 28.131 -42.498 1.00 72.53 C ATOM 631 OG SER A 108 32.893 29.237 -43.380 1.00 0.01 O ATOM 0 H SER A 108 33.617 25.243 -42.837 1.00 32.45 H new ATOM 0 HA SER A 108 34.869 27.848 -43.047 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.940 27.525 -42.751 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.666 28.486 -41.477 1.00 72.53 H new ATOM 0 HG SER A 108 33.308 28.954 -44.221 1.00 0.01 H new ATOM 637 N LYS A 109 35.762 27.261 -40.830 1.00 71.21 N ATOM 638 CA LYS A 109 36.318 26.962 -39.516 1.00 31.02 C ATOM 639 C LYS A 109 35.383 27.436 -38.409 1.00 3.25 C ATOM 640 O LYS A 109 35.341 26.851 -37.326 1.00 50.22 O ATOM 641 CB LYS A 109 37.690 27.623 -39.358 1.00 21.34 C ATOM 642 CG LYS A 109 37.616 29.110 -39.055 1.00 52.33 C ATOM 643 CD LYS A 109 37.187 29.906 -40.276 1.00 1.02 C ATOM 644 CE LYS A 109 38.172 29.741 -41.424 1.00 51.12 C ATOM 645 NZ LYS A 109 38.129 30.897 -42.363 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.395 27.765 -41.451 1.00 71.21 H new ATOM 0 HA LYS A 109 36.430 25.881 -39.434 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.235 27.124 -38.557 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.263 27.475 -40.273 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.912 29.282 -38.241 1.00 52.33 H new ATOM 0 HG3 LYS A 109 38.590 29.462 -38.714 1.00 52.33 H new ATOM 0 HD2 LYS A 109 36.197 29.580 -40.595 1.00 1.02 H new ATOM 0 HD3 LYS A 109 37.106 30.961 -40.014 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.181 29.635 -41.025 1.00 51.12 H new ATOM 0 HE3 LYS A 109 37.946 28.823 -41.967 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 38.814 30.746 -43.131 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 37.173 30.983 -42.764 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 38.369 31.770 -41.851 1.00 73.22 H new ATOM 659 N GLU A 110 34.634 28.498 -38.687 1.00 44.12 N ATOM 660 CA GLU A 110 33.699 29.049 -37.714 1.00 65.03 C ATOM 661 C GLU A 110 32.455 28.172 -37.596 1.00 4.22 C ATOM 662 O GLU A 110 31.913 27.987 -36.506 1.00 42.42 O ATOM 663 CB GLU A 110 33.296 30.472 -38.108 1.00 51.22 C ATOM 664 CG GLU A 110 32.610 30.557 -39.462 1.00 52.11 C ATOM 665 CD GLU A 110 32.553 31.975 -39.998 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.572 32.441 -40.549 1.00 50.24 O ATOM 667 OE2 GLU A 110 31.490 32.617 -39.867 1.00 64.00 O1- ATOM 0 H GLU A 110 34.657 28.994 -39.578 1.00 44.12 H new ATOM 0 HA GLU A 110 34.198 29.075 -36.745 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.629 30.876 -37.346 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.185 31.102 -38.120 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.140 29.924 -40.174 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.597 30.163 -39.378 1.00 52.11 H new ATOM 674 N ASP A 111 32.009 27.633 -38.726 1.00 31.12 N ATOM 675 CA ASP A 111 30.831 26.775 -38.751 1.00 2.31 C ATOM 676 C ASP A 111 31.012 25.578 -37.823 1.00 54.23 C ATOM 677 O ASP A 111 30.230 25.379 -36.892 1.00 72.33 O ATOM 678 CB ASP A 111 30.554 26.294 -40.176 1.00 61.15 C ATOM 679 CG ASP A 111 30.097 27.417 -41.086 1.00 72.04 C ATOM 680 OD1 ASP A 111 29.592 27.118 -42.189 1.00 62.34 O ATOM 681 OD2 ASP A 111 30.244 28.595 -40.697 1.00 75.41 O1- ATOM 0 H ASP A 111 32.446 27.776 -39.637 1.00 31.12 H new ATOM 0 HA ASP A 111 29.979 27.358 -38.401 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.457 25.842 -40.586 1.00 61.15 H new ATOM 0 HB3 ASP A 111 29.791 25.516 -40.152 1.00 61.15 H new ATOM 686 N GLU A 112 32.045 24.784 -38.083 1.00 32.13 N ATOM 687 CA GLU A 112 32.325 23.606 -37.272 1.00 62.34 C ATOM 688 C GLU A 112 32.376 23.965 -35.790 1.00 34.15 C ATOM 689 O GLU A 112 31.886 23.218 -34.943 1.00 35.11 O ATOM 690 CB GLU A 112 33.649 22.969 -37.699 1.00 32.10 C ATOM 691 CG GLU A 112 34.035 21.754 -36.871 1.00 0.21 C ATOM 692 CD GLU A 112 33.208 20.530 -37.211 1.00 23.14 C ATOM 693 OE1 GLU A 112 33.634 19.410 -36.858 1.00 62.45 O ATOM 694 OE2 GLU A 112 32.135 20.691 -37.830 1.00 14.24 O1- ATOM 0 H GLU A 112 32.702 24.935 -38.849 1.00 32.13 H new ATOM 0 HA GLU A 112 31.518 22.890 -37.427 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.581 22.677 -38.747 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.441 23.714 -37.626 1.00 32.10 H new ATOM 0 HG2 GLU A 112 35.090 21.531 -37.030 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.915 21.987 -35.813 1.00 0.21 H new ATOM 701 N GLU A 113 32.973 25.113 -35.484 1.00 34.35 N ATOM 702 CA GLU A 113 33.088 25.570 -34.106 1.00 1.04 C ATOM 703 C GLU A 113 31.711 25.749 -33.474 1.00 62.52 C ATOM 704 O GLU A 113 31.387 25.108 -32.473 1.00 62.44 O ATOM 705 CB GLU A 113 33.864 26.888 -34.044 1.00 30.23 C ATOM 706 CG GLU A 113 35.368 26.704 -33.931 1.00 33.05 C ATOM 707 CD GLU A 113 35.766 25.878 -32.723 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.056 25.946 -31.699 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.787 25.165 -32.805 1.00 53.21 O1- ATOM 0 H GLU A 113 33.384 25.743 -36.173 1.00 34.35 H new ATOM 0 HA GLU A 113 33.631 24.810 -33.544 1.00 1.04 H new ATOM 0 HB2 GLU A 113 33.644 27.472 -34.938 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.512 27.467 -33.190 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.740 26.222 -34.835 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.846 27.682 -33.872 1.00 33.05 H new ATOM 716 N GLN A 114 30.904 26.624 -34.065 1.00 21.15 N ATOM 717 CA GLN A 114 29.562 26.888 -33.561 1.00 15.15 C ATOM 718 C GLN A 114 28.779 25.591 -33.391 1.00 12.24 C ATOM 719 O GLN A 114 28.052 25.414 -32.412 1.00 54.31 O ATOM 720 CB GLN A 114 28.814 27.830 -34.505 1.00 72.44 C ATOM 721 CG GLN A 114 29.442 29.210 -34.612 1.00 22.33 C ATOM 722 CD GLN A 114 29.766 29.810 -33.258 1.00 62.33 C ATOM 723 OE1 GLN A 114 28.869 30.149 -32.487 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.054 29.944 -32.963 1.00 40.41 N ATOM 0 H GLN A 114 31.157 27.162 -34.894 1.00 21.15 H new ATOM 0 HA GLN A 114 29.656 27.364 -32.585 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.774 27.380 -35.497 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.785 27.934 -34.161 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.355 29.145 -35.204 1.00 22.33 H new ATOM 0 HG3 GLN A 114 28.762 29.874 -35.146 1.00 22.33 H new ATOM 0 HE21 GLN A 114 31.764 29.649 -33.633 1.00 40.41 H new ATOM 0 HE22 GLN A 114 31.333 30.342 -32.066 1.00 40.41 H new ATOM 733 N LEU A 115 28.930 24.685 -34.351 1.00 24.11 N ATOM 734 CA LEU A 115 28.237 23.402 -34.309 1.00 72.35 C ATOM 735 C LEU A 115 28.706 22.567 -33.122 1.00 40.11 C ATOM 736 O LEU A 115 27.909 21.899 -32.466 1.00 41.13 O ATOM 737 CB LEU A 115 28.467 22.633 -35.611 1.00 4.21 C ATOM 738 CG LEU A 115 27.253 21.898 -36.180 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.541 21.401 -37.588 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.859 20.739 -35.274 1.00 4.03 C ATOM 0 H LEU A 115 29.526 24.815 -35.168 1.00 24.11 H new ATOM 0 HA LEU A 115 27.171 23.597 -34.193 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.828 23.333 -36.364 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.262 21.906 -35.444 1.00 4.21 H new ATOM 0 HG LEU A 115 26.418 22.597 -36.227 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.666 20.881 -37.976 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.775 22.249 -38.232 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.390 20.717 -37.566 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.993 20.227 -35.694 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.691 20.040 -35.195 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.610 21.120 -34.284 1.00 4.03 H new ATOM 752 N MET A 116 30.008 22.612 -32.852 1.00 70.42 N ATOM 753 CA MET A 116 30.583 21.863 -31.741 1.00 64.52 C ATOM 754 C MET A 116 30.048 22.372 -30.406 1.00 75.03 C ATOM 755 O MET A 116 29.447 21.619 -29.638 1.00 41.14 O ATOM 756 CB MET A 116 32.109 21.967 -31.765 1.00 43.44 C ATOM 757 CG MET A 116 32.778 21.366 -30.539 1.00 45.44 C ATOM 758 SD MET A 116 34.574 21.523 -30.580 1.00 64.42 S ATOM 759 CE MET A 116 35.008 20.872 -28.969 1.00 64.32 C ATOM 0 H MET A 116 30.683 23.159 -33.387 1.00 70.42 H new ATOM 0 HA MET A 116 30.295 20.818 -31.852 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.485 21.466 -32.657 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.392 23.016 -31.846 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.395 21.856 -29.644 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.511 20.312 -30.464 1.00 45.44 H new ATOM 0 HE1 MET A 116 36.090 20.903 -28.844 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.536 21.475 -28.194 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.663 19.841 -28.888 1.00 64.32 H new ATOM 769 N THR A 117 30.268 23.654 -30.135 1.00 23.24 N ATOM 770 CA THR A 117 29.810 24.262 -28.893 1.00 45.12 C ATOM 771 C THR A 117 28.324 24.004 -28.670 1.00 55.01 C ATOM 772 O THR A 117 27.910 23.619 -27.578 1.00 75.24 O ATOM 773 CB THR A 117 30.062 25.783 -28.885 1.00 45.34 C ATOM 774 OG1 THR A 117 29.458 26.373 -27.728 1.00 40.01 O ATOM 775 CG2 THR A 117 29.501 26.430 -30.142 1.00 22.51 C ATOM 0 H THR A 117 30.761 24.292 -30.760 1.00 23.24 H new ATOM 0 HA THR A 117 30.381 23.802 -28.087 1.00 45.12 H new ATOM 0 HB THR A 117 31.139 25.951 -28.858 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.624 27.339 -27.729 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.690 27.503 -30.114 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.983 25.999 -31.019 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.427 26.252 -30.194 1.00 22.51 H new ATOM 783 N GLU A 118 27.527 24.217 -29.713 1.00 13.24 N ATOM 784 CA GLU A 118 26.087 24.007 -29.630 1.00 64.41 C ATOM 785 C GLU A 118 25.763 22.526 -29.454 1.00 71.35 C ATOM 786 O GLU A 118 24.853 22.162 -28.710 1.00 2.31 O ATOM 787 CB GLU A 118 25.397 24.547 -30.883 1.00 42.20 C ATOM 788 CG GLU A 118 25.177 26.050 -30.858 1.00 62.40 C ATOM 789 CD GLU A 118 24.179 26.512 -31.902 1.00 32.23 C ATOM 790 OE1 GLU A 118 23.347 25.687 -32.333 1.00 73.11 O ATOM 791 OE2 GLU A 118 24.229 27.699 -32.286 1.00 51.30 O1- ATOM 0 H GLU A 118 27.855 24.535 -30.625 1.00 13.24 H new ATOM 0 HA GLU A 118 25.716 24.548 -28.760 1.00 64.41 H new ATOM 0 HB2 GLU A 118 25.997 24.291 -31.756 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.434 24.049 -31.000 1.00 42.20 H new ATOM 0 HG2 GLU A 118 24.826 26.345 -29.869 1.00 62.40 H new ATOM 0 HG3 GLU A 118 26.129 26.555 -31.022 1.00 62.40 H new ATOM 798 N PHE A 119 26.514 21.676 -30.146 1.00 72.35 N ATOM 799 CA PHE A 119 26.307 20.235 -30.070 1.00 31.24 C ATOM 800 C PHE A 119 26.531 19.728 -28.648 1.00 51.21 C ATOM 801 O PHE A 119 25.925 18.743 -28.225 1.00 74.52 O ATOM 802 CB PHE A 119 27.248 19.511 -31.035 1.00 12.54 C ATOM 803 CG PHE A 119 27.440 18.058 -30.707 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.556 17.633 -30.005 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.503 17.115 -31.103 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.736 16.297 -29.703 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.678 15.778 -30.803 1.00 3.12 C ATOM 808 CZ PHE A 119 27.796 15.368 -30.103 1.00 63.33 C ATOM 0 H PHE A 119 27.272 21.961 -30.766 1.00 72.35 H new ATOM 0 HA PHE A 119 25.276 20.026 -30.354 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.854 19.598 -32.048 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.218 20.009 -31.026 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.295 18.355 -29.690 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.627 17.429 -31.652 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.611 15.980 -29.155 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.941 15.053 -31.116 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.935 14.323 -29.869 1.00 63.33 H new ATOM 818 N LYS A 120 27.405 20.409 -27.914 1.00 14.44 N ATOM 819 CA LYS A 120 27.708 20.031 -26.539 1.00 23.11 C ATOM 820 C LYS A 120 26.672 20.599 -25.576 1.00 34.44 C ATOM 821 O LYS A 120 26.325 19.968 -24.578 1.00 62.52 O ATOM 822 CB LYS A 120 29.105 20.522 -26.151 1.00 32.24 C ATOM 823 CG LYS A 120 30.177 19.451 -26.253 1.00 15.35 C ATOM 824 CD LYS A 120 31.556 20.060 -26.448 1.00 0.00 C ATOM 825 CE LYS A 120 31.933 20.969 -25.289 1.00 12.11 C ATOM 826 NZ LYS A 120 33.401 21.208 -25.225 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.916 21.226 -28.249 1.00 14.44 H new ATOM 0 HA LYS A 120 27.679 18.943 -26.473 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.378 21.359 -26.793 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.077 20.900 -25.129 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.172 18.842 -25.349 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.950 18.786 -27.087 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.296 19.265 -26.544 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.576 20.628 -27.378 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.414 21.922 -25.392 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.597 20.522 -24.353 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.616 21.832 -24.422 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.895 20.301 -25.101 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.718 21.658 -26.107 1.00 75.10 H new ATOM 840 N LYS A 121 26.178 21.793 -25.883 1.00 31.11 N ATOM 841 CA LYS A 121 25.177 22.446 -25.047 1.00 75.21 C ATOM 842 C LYS A 121 23.805 21.810 -25.241 1.00 2.10 C ATOM 843 O LYS A 121 23.010 21.726 -24.306 1.00 52.44 O ATOM 844 CB LYS A 121 25.109 23.941 -25.370 1.00 1.02 C ATOM 845 CG LYS A 121 23.994 24.304 -26.335 1.00 1.41 C ATOM 846 CD LYS A 121 24.121 25.737 -26.822 1.00 43.52 C ATOM 847 CE LYS A 121 23.876 26.732 -25.697 1.00 20.23 C ATOM 848 NZ LYS A 121 23.188 27.959 -26.183 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.455 22.329 -26.705 1.00 31.11 H new ATOM 0 HA LYS A 121 25.472 22.318 -24.005 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.972 24.499 -24.443 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.062 24.256 -25.794 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.015 23.626 -27.188 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.030 24.170 -25.845 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.116 25.894 -27.238 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.408 25.913 -27.627 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.273 26.261 -24.920 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.827 27.006 -25.240 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.039 28.612 -25.387 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.774 28.423 -26.906 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.269 27.701 -26.596 1.00 31.14 H new ATOM 862 N VAL A 122 23.535 21.361 -26.463 1.00 23.10 N ATOM 863 CA VAL A 122 22.260 20.730 -26.780 1.00 13.41 C ATOM 864 C VAL A 122 22.191 19.315 -26.215 1.00 52.23 C ATOM 865 O VAL A 122 21.120 18.712 -26.148 1.00 71.34 O ATOM 866 CB VAL A 122 22.023 20.674 -28.301 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.042 22.075 -28.896 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.063 19.789 -28.970 1.00 1.45 C ATOM 0 H VAL A 122 24.182 21.423 -27.249 1.00 23.10 H new ATOM 0 HA VAL A 122 21.483 21.341 -26.321 1.00 13.41 H new ATOM 0 HB VAL A 122 21.039 20.241 -28.482 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.873 22.016 -29.971 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.256 22.676 -28.438 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.010 22.538 -28.706 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.880 19.761 -30.044 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.058 20.191 -28.782 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.997 18.779 -28.564 1.00 1.45 H new ATOM 878 N LEU A 123 23.343 18.789 -25.809 1.00 4.14 N ATOM 879 CA LEU A 123 23.414 17.445 -25.250 1.00 53.40 C ATOM 880 C LEU A 123 23.127 17.463 -23.751 1.00 25.13 C ATOM 881 O LEU A 123 22.554 16.518 -23.207 1.00 61.25 O ATOM 882 CB LEU A 123 24.794 16.836 -25.508 1.00 74.02 C ATOM 883 CG LEU A 123 24.951 16.061 -26.816 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.027 16.625 -27.885 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.398 16.096 -27.287 1.00 1.21 C ATOM 0 H LEU A 123 24.239 19.274 -25.857 1.00 4.14 H new ATOM 0 HA LEU A 123 22.656 16.834 -25.740 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.532 17.638 -25.494 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.034 16.167 -24.682 1.00 74.02 H new ATOM 0 HG LEU A 123 24.674 15.022 -26.636 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.153 16.061 -28.809 1.00 42.44 H new ATOM 0 HD12 LEU A 123 22.993 16.547 -27.550 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.273 17.672 -28.063 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.491 15.539 -28.219 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.703 17.130 -27.450 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.038 15.644 -26.529 1.00 1.21 H new ATOM 897 N LEU A 124 23.527 18.544 -23.091 1.00 54.13 N ATOM 898 CA LEU A 124 23.310 18.687 -21.655 1.00 75.34 C ATOM 899 C LEU A 124 21.987 19.390 -21.372 1.00 14.20 C ATOM 900 O LEU A 124 21.345 19.136 -20.353 1.00 71.21 O ATOM 901 CB LEU A 124 24.463 19.468 -21.022 1.00 22.35 C ATOM 902 CG LEU A 124 25.659 18.639 -20.555 1.00 2.11 C ATOM 903 CD1 LEU A 124 25.233 17.639 -19.492 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.306 17.926 -21.733 1.00 45.33 C ATOM 0 H LEU A 124 24.003 19.334 -23.526 1.00 54.13 H new ATOM 0 HA LEU A 124 23.270 17.690 -21.216 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.816 20.204 -21.744 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.074 20.022 -20.167 1.00 22.35 H new ATOM 0 HG LEU A 124 26.395 19.313 -20.116 1.00 2.11 H new ATOM 0 HD11 LEU A 124 26.098 17.058 -19.172 1.00 33.13 H new ATOM 0 HD12 LEU A 124 24.817 18.172 -18.637 1.00 33.13 H new ATOM 0 HD13 LEU A 124 24.478 16.969 -19.904 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.156 17.341 -21.382 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.578 17.264 -22.202 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.648 18.662 -22.460 1.00 45.33 H new ATOM 916 N GLU A 125 21.586 20.274 -22.280 1.00 14.41 N ATOM 917 CA GLU A 125 20.338 21.013 -22.127 1.00 41.11 C ATOM 918 C GLU A 125 19.189 20.072 -21.773 1.00 63.43 C ATOM 919 O GLU A 125 18.553 20.196 -20.726 1.00 14.15 O ATOM 920 CB GLU A 125 20.009 21.775 -23.413 1.00 64.13 C ATOM 921 CG GLU A 125 18.520 21.961 -23.647 1.00 62.33 C ATOM 922 CD GLU A 125 17.820 22.603 -22.465 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.446 23.451 -21.794 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.646 22.259 -22.210 1.00 3.44 O1- ATOM 0 H GLU A 125 22.107 20.496 -23.129 1.00 14.41 H new ATOM 0 HA GLU A 125 20.466 21.727 -21.313 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.488 22.754 -23.378 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.437 21.241 -24.261 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.369 22.578 -24.533 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.064 20.992 -23.852 1.00 62.33 H new ATOM 931 N PRO A 126 18.916 19.110 -22.666 1.00 30.12 N ATOM 932 CA PRO A 126 17.843 18.130 -22.471 1.00 22.40 C ATOM 933 C PRO A 126 18.158 17.140 -21.354 1.00 25.33 C ATOM 934 O PRO A 126 19.323 16.882 -21.051 1.00 41.31 O ATOM 935 CB PRO A 126 17.770 17.409 -23.819 1.00 61.24 C ATOM 936 CG PRO A 126 19.131 17.567 -24.406 1.00 12.33 C ATOM 937 CD PRO A 126 19.633 18.904 -23.935 1.00 0.12 C ATOM 0 HA PRO A 126 16.907 18.605 -22.175 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.513 16.357 -23.692 1.00 61.24 H new ATOM 0 HB3 PRO A 126 17.008 17.848 -24.462 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.792 16.765 -24.079 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.094 17.526 -25.495 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.713 18.899 -23.790 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.411 19.692 -24.654 1.00 0.12 H new ATOM 945 N GLY A 127 17.114 16.588 -20.746 1.00 43.42 N ATOM 946 CA GLY A 127 17.301 15.633 -19.670 1.00 51.41 C ATOM 947 C GLY A 127 17.372 14.203 -20.169 1.00 23.25 C ATOM 948 O GLY A 127 17.854 13.317 -19.465 1.00 21.10 O ATOM 0 H GLY A 127 16.141 16.785 -20.979 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.218 15.872 -19.131 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.480 15.726 -18.959 1.00 51.41 H new ATOM 952 N SER A 128 16.890 13.980 -21.387 1.00 64.24 N ATOM 953 CA SER A 128 16.895 12.646 -21.978 1.00 14.15 C ATOM 954 C SER A 128 18.254 12.333 -22.599 1.00 43.42 C ATOM 955 O SER A 128 18.341 11.911 -23.752 1.00 75.43 O ATOM 956 CB SER A 128 15.799 12.531 -23.039 1.00 12.14 C ATOM 957 OG SER A 128 14.522 12.399 -22.440 1.00 41.51 O ATOM 0 H SER A 128 16.491 14.705 -21.984 1.00 64.24 H new ATOM 0 HA SER A 128 16.701 11.923 -21.185 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.814 13.413 -23.679 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.995 11.670 -23.678 1.00 12.14 H new ATOM 0 HG SER A 128 13.839 12.329 -23.139 1.00 41.51 H new ATOM 963 N LYS A 129 19.313 12.544 -21.825 1.00 13.44 N ATOM 964 CA LYS A 129 20.669 12.285 -22.295 1.00 70.44 C ATOM 965 C LYS A 129 20.805 10.850 -22.797 1.00 11.20 C ATOM 966 O LYS A 129 21.741 10.526 -23.526 1.00 23.24 O ATOM 967 CB LYS A 129 21.678 12.541 -21.173 1.00 55.21 C ATOM 968 CG LYS A 129 21.583 13.934 -20.575 1.00 13.43 C ATOM 969 CD LYS A 129 22.150 13.976 -19.166 1.00 2.32 C ATOM 970 CE LYS A 129 21.082 13.674 -18.126 1.00 34.02 C ATOM 971 NZ LYS A 129 21.031 12.225 -17.789 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.258 12.894 -20.868 1.00 13.44 H new ATOM 0 HA LYS A 129 20.876 12.963 -23.123 1.00 70.44 H new ATOM 0 HB2 LYS A 129 21.525 11.805 -20.384 1.00 55.21 H new ATOM 0 HB3 LYS A 129 22.685 12.389 -21.560 1.00 55.21 H new ATOM 0 HG2 LYS A 129 22.123 14.640 -21.207 1.00 13.43 H new ATOM 0 HG3 LYS A 129 20.541 14.254 -20.559 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.961 13.253 -19.077 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.578 14.960 -18.974 1.00 2.32 H new ATOM 0 HE2 LYS A 129 21.282 14.250 -17.223 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.110 13.994 -18.500 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.605 12.102 -16.848 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 20.457 11.724 -18.497 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 21.995 11.835 -17.786 1.00 60.14 H new ATOM 985 N ASN A 130 19.864 9.998 -22.404 1.00 50.25 N ATOM 986 CA ASN A 130 19.880 8.600 -22.815 1.00 20.54 C ATOM 987 C ASN A 130 19.198 8.424 -24.168 1.00 24.34 C ATOM 988 O ASN A 130 18.711 7.341 -24.496 1.00 52.01 O ATOM 989 CB ASN A 130 19.185 7.730 -21.766 1.00 13.43 C ATOM 990 CG ASN A 130 19.665 8.028 -20.358 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.858 8.230 -20.127 1.00 43.45 O ATOM 992 ND2 ASN A 130 18.736 8.056 -19.410 1.00 30.42 N ATOM 0 H ASN A 130 19.081 10.252 -21.801 1.00 50.25 H new ATOM 0 HA ASN A 130 20.920 8.286 -22.907 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.108 7.889 -21.821 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.364 6.679 -21.993 1.00 13.43 H new ATOM 0 HD21 ASN A 130 18.999 8.251 -18.444 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.759 7.883 -19.648 1.00 30.42 H new ATOM 999 N LEU A 131 19.167 9.496 -24.953 1.00 22.31 N ATOM 1000 CA LEU A 131 18.546 9.460 -26.273 1.00 15.12 C ATOM 1001 C LEU A 131 19.538 8.984 -27.329 1.00 65.34 C ATOM 1002 O LEU A 131 20.747 8.970 -27.098 1.00 42.41 O ATOM 1003 CB LEU A 131 18.015 10.846 -26.645 1.00 11.43 C ATOM 1004 CG LEU A 131 19.040 11.980 -26.648 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.695 12.103 -28.015 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.383 13.293 -26.248 1.00 50.13 C ATOM 0 H LEU A 131 19.564 10.400 -24.698 1.00 22.31 H new ATOM 0 HA LEU A 131 17.715 8.755 -26.238 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.566 10.787 -27.636 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.218 11.106 -25.949 1.00 11.43 H new ATOM 0 HG LEU A 131 19.814 11.747 -25.917 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.422 12.915 -27.998 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.200 11.169 -28.262 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.933 12.313 -28.766 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.127 14.089 -26.255 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.588 13.532 -26.955 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.962 13.199 -25.247 1.00 50.13 H new ATOM 1018 N SER A 132 19.018 8.596 -28.489 1.00 12.44 N ATOM 1019 CA SER A 132 19.858 8.117 -29.580 1.00 34.35 C ATOM 1020 C SER A 132 20.812 9.211 -30.052 1.00 0.35 C ATOM 1021 O SER A 132 20.438 10.380 -30.138 1.00 24.34 O ATOM 1022 CB SER A 132 18.992 7.642 -30.748 1.00 71.11 C ATOM 1023 OG SER A 132 17.705 7.249 -30.302 1.00 74.41 O ATOM 0 H SER A 132 18.020 8.604 -28.697 1.00 12.44 H new ATOM 0 HA SER A 132 20.448 7.279 -29.210 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.897 8.441 -31.483 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.478 6.805 -31.248 1.00 71.11 H new ATOM 0 HG SER A 132 17.170 6.951 -31.067 1.00 74.41 H new ATOM 1029 N ILE A 133 22.045 8.820 -30.357 1.00 2.43 N ATOM 1030 CA ILE A 133 23.052 9.766 -30.821 1.00 72.04 C ATOM 1031 C ILE A 133 22.604 10.462 -32.102 1.00 24.01 C ATOM 1032 O ILE A 133 23.110 11.528 -32.451 1.00 53.43 O ATOM 1033 CB ILE A 133 24.403 9.071 -31.073 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.433 10.081 -31.584 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.235 7.930 -32.064 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.818 9.873 -31.011 1.00 63.31 C ATOM 0 H ILE A 133 22.370 7.855 -30.291 1.00 2.43 H new ATOM 0 HA ILE A 133 23.176 10.508 -30.032 1.00 72.04 H new ATOM 0 HB ILE A 133 24.764 8.657 -30.131 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.485 10.017 -32.671 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.095 11.088 -31.340 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.199 7.449 -32.232 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.530 7.201 -31.664 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.856 8.321 -33.008 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.496 10.624 -31.417 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.781 9.966 -29.926 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.176 8.879 -31.277 1.00 63.31 H new ATOM 1048 N TYR A 134 21.652 9.851 -32.798 1.00 51.34 N ATOM 1049 CA TYR A 134 21.135 10.411 -34.042 1.00 14.53 C ATOM 1050 C TYR A 134 20.377 11.708 -33.781 1.00 72.13 C ATOM 1051 O TYR A 134 20.440 12.647 -34.574 1.00 64.14 O ATOM 1052 CB TYR A 134 20.221 9.402 -34.738 1.00 10.23 C ATOM 1053 CG TYR A 134 20.229 9.517 -36.245 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.734 8.493 -37.038 1.00 75.12 C ATOM 1055 CD2 TYR A 134 19.731 10.650 -36.878 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.744 8.595 -38.415 1.00 43.31 C ATOM 1057 CE2 TYR A 134 19.736 10.759 -38.256 1.00 22.22 C ATOM 1058 CZ TYR A 134 20.244 9.729 -39.020 1.00 2.11 C ATOM 1059 OH TYR A 134 20.251 9.834 -40.391 1.00 3.43 O ATOM 0 H TYR A 134 21.222 8.968 -32.522 1.00 51.34 H new ATOM 0 HA TYR A 134 21.982 10.632 -34.692 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.526 8.394 -34.457 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.202 9.538 -34.377 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.125 7.602 -36.569 1.00 75.12 H new ATOM 0 HD2 TYR A 134 19.333 11.459 -36.283 1.00 14.43 H new ATOM 0 HE1 TYR A 134 21.142 7.790 -39.016 1.00 43.31 H new ATOM 0 HE2 TYR A 134 19.344 11.646 -38.732 1.00 22.22 H new ATOM 0 HH TYR A 134 19.863 10.694 -40.655 1.00 3.43 H new ATOM 1069 N GLN A 135 19.658 11.752 -32.664 1.00 15.24 N ATOM 1070 CA GLN A 135 18.886 12.933 -32.298 1.00 3.44 C ATOM 1071 C GLN A 135 19.803 14.060 -31.836 1.00 63.55 C ATOM 1072 O GLN A 135 19.613 15.220 -32.203 1.00 15.31 O ATOM 1073 CB GLN A 135 17.883 12.591 -31.194 1.00 23.05 C ATOM 1074 CG GLN A 135 17.232 11.228 -31.366 1.00 5.20 C ATOM 1075 CD GLN A 135 16.821 10.954 -32.800 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.302 11.832 -33.488 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.052 9.729 -33.257 1.00 23.23 N ATOM 0 H GLN A 135 19.594 10.983 -31.997 1.00 15.24 H new ATOM 0 HA GLN A 135 18.343 13.269 -33.181 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.391 12.623 -30.230 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.106 13.355 -31.170 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.925 10.454 -31.037 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.355 11.165 -30.722 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.485 9.032 -32.651 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.797 9.485 -34.214 1.00 23.23 H new ATOM 1086 N THR A 136 20.800 13.714 -31.028 1.00 4.35 N ATOM 1087 CA THR A 136 21.746 14.697 -30.514 1.00 41.33 C ATOM 1088 C THR A 136 22.372 15.500 -31.648 1.00 13.53 C ATOM 1089 O THR A 136 22.309 16.730 -31.659 1.00 52.25 O ATOM 1090 CB THR A 136 22.865 14.025 -29.696 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.244 12.787 -30.308 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.412 13.772 -28.266 1.00 12.34 C ATOM 0 H THR A 136 20.974 12.759 -30.715 1.00 4.35 H new ATOM 0 HA THR A 136 21.185 15.368 -29.864 1.00 41.33 H new ATOM 0 HB THR A 136 23.723 14.697 -29.675 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.838 12.724 -31.198 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.219 13.297 -27.708 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.152 14.719 -27.794 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.540 13.118 -28.271 1.00 12.34 H new ATOM 1100 N LEU A 137 22.977 14.798 -32.600 1.00 40.20 N ATOM 1101 CA LEU A 137 23.615 15.448 -33.739 1.00 24.30 C ATOM 1102 C LEU A 137 22.580 16.124 -34.632 1.00 25.13 C ATOM 1103 O LEU A 137 22.751 17.274 -35.040 1.00 73.04 O ATOM 1104 CB LEU A 137 24.415 14.427 -34.551 1.00 71.51 C ATOM 1105 CG LEU A 137 25.719 14.933 -35.168 1.00 14.44 C ATOM 1106 CD1 LEU A 137 25.480 16.221 -35.940 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.774 15.144 -34.091 1.00 41.53 C ATOM 0 H LEU A 137 23.039 13.780 -32.606 1.00 40.20 H new ATOM 0 HA LEU A 137 24.292 16.212 -33.357 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.647 13.580 -33.905 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.779 14.052 -35.353 1.00 71.51 H new ATOM 0 HG LEU A 137 26.085 14.178 -35.864 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.419 16.566 -36.372 1.00 42.21 H new ATOM 0 HD12 LEU A 137 24.759 16.039 -36.737 1.00 42.21 H new ATOM 0 HD13 LEU A 137 25.090 16.983 -35.265 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.695 15.504 -34.549 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.416 15.879 -33.370 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.967 14.200 -33.581 1.00 41.53 H new ATOM 1119 N LEU A 138 21.504 15.405 -34.930 1.00 10.14 N ATOM 1120 CA LEU A 138 20.438 15.936 -35.773 1.00 31.24 C ATOM 1121 C LEU A 138 19.957 17.288 -35.255 1.00 11.02 C ATOM 1122 O LEU A 138 19.917 18.269 -35.997 1.00 71.33 O ATOM 1123 CB LEU A 138 19.267 14.953 -35.828 1.00 41.12 C ATOM 1124 CG LEU A 138 17.951 15.506 -36.376 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.453 14.654 -37.532 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.904 15.579 -35.273 1.00 22.45 C ATOM 0 H LEU A 138 21.346 14.453 -34.601 1.00 10.14 H new ATOM 0 HA LEU A 138 20.837 16.073 -36.778 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.563 14.101 -36.440 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.088 14.576 -34.821 1.00 41.12 H new ATOM 0 HG LEU A 138 18.129 16.515 -36.748 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.516 15.064 -37.908 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.195 14.654 -38.330 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.290 13.633 -37.188 1.00 14.12 H new ATOM 0 HD21 LEU A 138 15.974 15.975 -35.680 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.729 14.581 -34.871 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.259 16.234 -34.477 1.00 22.45 H new ATOM 1138 N ALA A 139 19.597 17.332 -33.977 1.00 11.23 N ATOM 1139 CA ALA A 139 19.123 18.564 -33.359 1.00 25.20 C ATOM 1140 C ALA A 139 20.215 19.628 -33.349 1.00 1.41 C ATOM 1141 O ALA A 139 19.963 20.792 -33.657 1.00 21.21 O ATOM 1142 CB ALA A 139 18.636 18.292 -31.943 1.00 44.04 C ATOM 0 H ALA A 139 19.625 16.529 -33.349 1.00 11.23 H new ATOM 0 HA ALA A 139 18.289 18.941 -33.952 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.285 19.221 -31.494 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.819 17.571 -31.971 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.455 17.888 -31.348 1.00 44.04 H new ATOM 1148 N ALA A 140 21.429 19.221 -32.992 1.00 70.34 N ATOM 1149 CA ALA A 140 22.559 20.139 -32.944 1.00 73.32 C ATOM 1150 C ALA A 140 22.825 20.756 -34.313 1.00 31.53 C ATOM 1151 O ALA A 140 23.257 21.904 -34.414 1.00 61.43 O ATOM 1152 CB ALA A 140 23.801 19.420 -32.437 1.00 20.30 C ATOM 0 H ALA A 140 21.654 18.261 -32.732 1.00 70.34 H new ATOM 0 HA ALA A 140 22.311 20.945 -32.254 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.638 20.118 -32.406 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.614 19.033 -31.435 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.042 18.594 -33.106 1.00 20.30 H new ATOM 1158 N HIS A 141 22.565 19.985 -35.365 1.00 1.44 N ATOM 1159 CA HIS A 141 22.776 20.456 -36.729 1.00 35.23 C ATOM 1160 C HIS A 141 21.691 21.450 -37.135 1.00 23.11 C ATOM 1161 O HIS A 141 21.975 22.614 -37.414 1.00 71.12 O ATOM 1162 CB HIS A 141 22.794 19.277 -37.702 1.00 54.14 C ATOM 1163 CG HIS A 141 22.870 19.688 -39.140 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.046 19.697 -39.859 1.00 11.41 N ATOM 1165 CD2 HIS A 141 21.906 20.104 -39.994 1.00 55.51 C ATOM 1166 CE1 HIS A 141 23.802 20.102 -41.093 1.00 43.34 C ATOM 1167 NE2 HIS A 141 22.511 20.355 -41.200 1.00 1.53 N ATOM 0 H HIS A 141 22.208 19.032 -35.298 1.00 1.44 H new ATOM 0 HA HIS A 141 23.740 20.962 -36.767 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.646 18.638 -37.470 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.896 18.678 -37.551 1.00 54.14 H new ATOM 0 HD2 HIS A 141 20.856 20.217 -39.768 1.00 55.51 H new ATOM 0 HE1 HIS A 141 24.534 20.208 -41.880 1.00 43.34 H new ATOM 0 HE2 HIS A 141 22.039 20.684 -42.043 1.00 1.53 H new ATOM 1176 N GLU A 142 20.448 20.980 -37.166 1.00 21.22 N ATOM 1177 CA GLU A 142 19.321 21.827 -37.540 1.00 60.01 C ATOM 1178 C GLU A 142 19.307 23.109 -36.714 1.00 12.12 C ATOM 1179 O GLU A 142 18.934 24.173 -37.207 1.00 65.25 O ATOM 1180 CB GLU A 142 18.003 21.072 -37.354 1.00 0.33 C ATOM 1181 CG GLU A 142 17.830 20.486 -35.962 1.00 13.53 C ATOM 1182 CD GLU A 142 17.007 21.376 -35.053 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.963 22.600 -35.302 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.406 20.852 -34.092 1.00 0.23 O1- ATOM 0 H GLU A 142 20.196 20.019 -36.937 1.00 21.22 H new ATOM 0 HA GLU A 142 19.433 22.094 -38.591 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.174 21.749 -37.560 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.948 20.268 -38.087 1.00 0.33 H new ATOM 0 HG2 GLU A 142 17.351 19.510 -36.040 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.811 20.325 -35.515 1.00 13.53 H new ATOM 1191 N ARG A 143 19.716 22.999 -35.454 1.00 11.21 N ATOM 1192 CA ARG A 143 19.748 24.149 -34.558 1.00 60.32 C ATOM 1193 C ARG A 143 20.821 25.144 -34.990 1.00 61.53 C ATOM 1194 O ARG A 143 20.663 26.355 -34.828 1.00 4.22 O ATOM 1195 CB ARG A 143 20.009 23.695 -33.121 1.00 31.13 C ATOM 1196 CG ARG A 143 18.756 23.241 -32.390 1.00 61.33 C ATOM 1197 CD ARG A 143 18.975 23.193 -30.886 1.00 34.34 C ATOM 1198 NE ARG A 143 18.389 21.998 -30.285 1.00 43.43 N ATOM 1199 CZ ARG A 143 18.140 21.875 -28.986 1.00 42.24 C ATOM 1200 NH1 ARG A 143 18.423 22.870 -28.157 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.605 20.757 -28.515 1.00 72.21 N ATOM 0 H ARG A 143 20.030 22.126 -35.031 1.00 11.21 H new ATOM 0 HA ARG A 143 18.777 24.643 -34.606 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.730 22.877 -33.132 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.466 24.515 -32.567 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.934 23.920 -32.618 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.462 22.254 -32.748 1.00 61.33 H new ATOM 0 HD2 ARG A 143 20.044 23.218 -30.674 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.538 24.080 -30.428 1.00 34.34 H new ATOM 0 HE ARG A 143 18.158 21.215 -30.896 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.833 23.732 -28.516 1.00 31.10 H new ATOM 0 HH12 ARG A 143 18.231 22.773 -27.160 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.384 19.990 -29.150 1.00 72.21 H new ATOM 0 HH22 ARG A 143 17.414 20.664 -27.517 1.00 72.21 H new ATOM 1215 N LEU A 144 21.914 24.627 -35.541 1.00 51.52 N ATOM 1216 CA LEU A 144 23.015 25.470 -35.996 1.00 34.24 C ATOM 1217 C LEU A 144 22.563 26.392 -37.123 1.00 61.12 C ATOM 1218 O LEU A 144 23.010 27.535 -37.219 1.00 51.43 O ATOM 1219 CB LEU A 144 24.184 24.604 -36.468 1.00 61.43 C ATOM 1220 CG LEU A 144 25.406 25.357 -36.996 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.298 25.799 -35.846 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.185 24.490 -37.974 1.00 54.33 C ATOM 0 H LEU A 144 22.062 23.628 -35.684 1.00 51.52 H new ATOM 0 HA LEU A 144 23.342 26.084 -35.157 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.501 23.973 -35.638 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.824 23.940 -37.254 1.00 61.43 H new ATOM 0 HG LEU A 144 25.061 26.246 -37.524 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.162 26.333 -36.241 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.737 26.457 -35.182 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.635 24.924 -35.290 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.051 25.042 -38.340 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.519 23.583 -37.470 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.544 24.223 -38.814 1.00 54.33 H new ATOM 1234 N GLN A 145 21.672 25.890 -37.973 1.00 51.00 N ATOM 1235 CA GLN A 145 21.159 26.671 -39.092 1.00 12.25 C ATOM 1236 C GLN A 145 19.746 27.168 -38.806 1.00 12.51 C ATOM 1237 O GLN A 145 18.922 27.281 -39.713 1.00 14.40 O ATOM 1238 CB GLN A 145 21.168 25.833 -40.372 1.00 54.30 C ATOM 1239 CG GLN A 145 22.487 25.118 -40.621 1.00 44.02 C ATOM 1240 CD GLN A 145 22.508 23.715 -40.046 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.475 23.050 -39.964 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.688 23.258 -39.645 1.00 40.43 N ATOM 0 H GLN A 145 21.291 24.946 -37.908 1.00 51.00 H new ATOM 0 HA GLN A 145 21.808 27.536 -39.227 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.368 25.094 -40.319 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.949 26.480 -41.222 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.673 25.070 -41.694 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.299 25.698 -40.183 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.518 23.844 -39.732 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.764 22.321 -39.250 1.00 40.43 H new ATOM 1251 N ALA A 146 19.473 27.464 -37.540 1.00 25.41 N ATOM 1252 CA ALA A 146 18.159 27.950 -37.135 1.00 61.13 C ATOM 1253 C ALA A 146 18.118 29.474 -37.128 1.00 43.10 C ATOM 1254 O ALA A 146 19.093 30.131 -36.760 1.00 53.12 O ATOM 1255 CB ALA A 146 17.794 27.404 -35.762 1.00 73.03 C ATOM 0 H ALA A 146 20.144 27.376 -36.777 1.00 25.41 H new ATOM 0 HA ALA A 146 17.427 27.595 -37.861 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.811 27.775 -35.473 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.775 26.315 -35.797 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.534 27.731 -35.032 1.00 73.03 H new ATOM 1639 N ASP B 543 41.315 10.843 -35.763 1.00 11.14 N ATOM 1640 CA ASP B 543 40.095 10.336 -35.145 1.00 52.52 C ATOM 1641 C ASP B 543 39.487 11.376 -34.211 1.00 13.13 C ATOM 1642 O ASP B 543 38.269 11.438 -34.042 1.00 20.02 O ATOM 1643 CB ASP B 543 40.385 9.047 -34.376 1.00 25.25 C ATOM 1644 CG ASP B 543 40.978 7.966 -35.258 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.200 7.193 -35.855 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.221 7.893 -35.351 1.00 51.20 O1- ATOM 0 HA ASP B 543 39.377 10.122 -35.937 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.073 9.262 -33.558 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.462 8.680 -33.927 1.00 25.25 H new ATOM 1651 N ASP B 544 40.343 12.191 -33.604 1.00 15.42 N ATOM 1652 CA ASP B 544 39.890 13.229 -32.685 1.00 51.14 C ATOM 1653 C ASP B 544 38.756 14.042 -33.299 1.00 4.23 C ATOM 1654 O ASP B 544 37.871 14.526 -32.594 1.00 2.42 O ATOM 1655 CB ASP B 544 41.052 14.153 -32.312 1.00 73.54 C ATOM 1656 CG ASP B 544 40.587 15.413 -31.611 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.200 16.478 -31.834 1.00 50.03 O ATOM 1658 OD2 ASP B 544 39.609 15.335 -30.838 1.00 63.43 O1- ATOM 0 H ASP B 544 41.354 12.153 -33.732 1.00 15.42 H new ATOM 0 HA ASP B 544 39.518 12.743 -31.783 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.746 13.616 -31.666 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.601 14.424 -33.214 1.00 73.54 H new ATOM 1663 N LYS B 545 38.788 14.188 -34.620 1.00 75.25 N ATOM 1664 CA LYS B 545 37.761 14.941 -35.331 1.00 24.24 C ATOM 1665 C LYS B 545 36.366 14.488 -34.915 1.00 33.21 C ATOM 1666 O LYS B 545 35.530 15.302 -34.519 1.00 50.14 O ATOM 1667 CB LYS B 545 37.933 14.775 -36.843 1.00 64.44 C ATOM 1668 CG LYS B 545 38.852 15.811 -37.469 1.00 54.23 C ATOM 1669 CD LYS B 545 40.225 15.803 -36.819 1.00 42.41 C ATOM 1670 CE LYS B 545 41.201 16.698 -37.569 1.00 62.41 C ATOM 1671 NZ LYS B 545 42.344 17.113 -36.709 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.514 13.795 -35.219 1.00 75.25 H new ATOM 0 HA LYS B 545 37.873 15.994 -35.071 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.328 13.780 -37.048 1.00 64.44 H new ATOM 0 HB3 LYS B 545 36.955 14.834 -37.320 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.952 15.612 -38.536 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.407 16.801 -37.370 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.142 16.139 -35.785 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.611 14.784 -36.793 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.578 16.171 -38.445 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.678 17.583 -37.931 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.987 17.721 -37.255 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.986 17.638 -35.886 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 42.858 16.269 -36.384 1.00 40.23 H new ATOM 1685 N LEU B 546 36.120 13.186 -35.005 1.00 71.42 N ATOM 1686 CA LEU B 546 34.826 12.624 -34.635 1.00 33.24 C ATOM 1687 C LEU B 546 34.808 12.220 -33.165 1.00 5.43 C ATOM 1688 O LEU B 546 33.759 12.235 -32.521 1.00 43.24 O ATOM 1689 CB LEU B 546 34.505 11.413 -35.512 1.00 40.40 C ATOM 1690 CG LEU B 546 35.481 10.240 -35.422 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.065 9.284 -34.314 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.566 9.510 -36.754 1.00 60.44 C ATOM 0 H LEU B 546 36.800 12.499 -35.331 1.00 71.42 H new ATOM 0 HA LEU B 546 34.067 13.390 -34.791 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.510 11.053 -35.249 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.460 11.743 -36.550 1.00 40.40 H new ATOM 0 HG LEU B 546 36.469 10.633 -35.184 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.771 8.455 -34.264 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.058 9.813 -33.361 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.067 8.898 -34.522 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.266 8.679 -36.669 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.581 9.129 -37.024 1.00 60.44 H new ATOM 0 HD23 LEU B 546 35.912 10.199 -37.525 1.00 60.44 H new ATOM 1704 N GLN B 547 35.974 11.863 -32.640 1.00 42.22 N ATOM 1705 CA GLN B 547 36.091 11.456 -31.245 1.00 10.14 C ATOM 1706 C GLN B 547 35.435 12.480 -30.323 1.00 64.45 C ATOM 1707 O GLN B 547 34.663 12.124 -29.432 1.00 15.25 O ATOM 1708 CB GLN B 547 37.563 11.281 -30.864 1.00 1.31 C ATOM 1709 CG GLN B 547 37.832 10.035 -30.034 1.00 14.25 C ATOM 1710 CD GLN B 547 39.189 10.064 -29.360 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.137 9.428 -29.821 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.290 10.807 -28.264 1.00 30.11 N ATOM 0 H GLN B 547 36.852 11.847 -33.159 1.00 42.22 H new ATOM 0 HA GLN B 547 35.576 10.503 -31.127 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.163 11.238 -31.773 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.892 12.158 -30.306 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.056 9.934 -29.275 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.768 9.156 -30.675 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.478 11.318 -27.917 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.180 10.867 -27.769 1.00 30.11 H new ATOM 1721 N LYS B 548 35.748 13.753 -30.542 1.00 13.42 N ATOM 1722 CA LYS B 548 35.188 14.829 -29.733 1.00 2.43 C ATOM 1723 C LYS B 548 33.673 14.698 -29.625 1.00 11.31 C ATOM 1724 O LYS B 548 33.114 14.735 -28.530 1.00 25.34 O ATOM 1725 CB LYS B 548 35.552 16.189 -30.334 1.00 44.51 C ATOM 1726 CG LYS B 548 35.229 16.305 -31.814 1.00 74.23 C ATOM 1727 CD LYS B 548 36.144 17.300 -32.507 1.00 50.13 C ATOM 1728 CE LYS B 548 36.006 18.693 -31.911 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.847 19.690 -32.631 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.387 14.065 -31.274 1.00 13.42 H new ATOM 0 HA LYS B 548 35.613 14.755 -28.732 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.020 16.971 -29.792 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.617 16.368 -30.188 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.328 15.328 -32.287 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.192 16.616 -31.938 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.178 16.967 -32.420 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.908 17.333 -33.571 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.962 19.003 -31.950 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.292 18.668 -30.860 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.725 20.626 -32.195 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.846 19.408 -32.572 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.557 19.733 -33.629 1.00 32.25 H new ATOM 1743 N TRP B 549 33.015 14.541 -30.768 1.00 35.00 N ATOM 1744 CA TRP B 549 31.563 14.401 -30.801 1.00 23.03 C ATOM 1745 C TRP B 549 31.113 13.189 -29.994 1.00 60.44 C ATOM 1746 O TRP B 549 30.373 13.320 -29.019 1.00 13.42 O ATOM 1747 CB TRP B 549 31.076 14.277 -32.246 1.00 1.00 C ATOM 1748 CG TRP B 549 31.467 15.440 -33.107 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.661 15.623 -33.744 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.662 16.580 -33.425 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.647 16.809 -34.437 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.432 17.414 -34.259 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.364 16.976 -33.089 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.946 18.620 -34.759 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.884 18.173 -33.585 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.674 18.984 -34.413 1.00 4.25 C ATOM 0 H TRP B 549 33.463 14.507 -31.684 1.00 35.00 H new ATOM 0 HA TRP B 549 31.127 15.293 -30.352 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.478 13.362 -32.680 1.00 1.00 H new ATOM 0 HB3 TRP B 549 29.990 14.181 -32.249 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.494 14.936 -33.708 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.417 17.179 -34.994 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.748 16.358 -32.453 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.552 19.245 -35.397 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.883 18.490 -33.331 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.270 19.914 -34.785 1.00 4.25 H new ATOM 1767 N VAL B 550 31.566 12.009 -30.405 1.00 65.43 N ATOM 1768 CA VAL B 550 31.211 10.773 -29.718 1.00 41.32 C ATOM 1769 C VAL B 550 31.498 10.873 -28.224 1.00 70.33 C ATOM 1770 O VAL B 550 30.607 10.681 -27.396 1.00 22.45 O ATOM 1771 CB VAL B 550 31.976 9.569 -30.298 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.570 8.285 -29.589 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.739 9.458 -31.796 1.00 22.45 C ATOM 0 H VAL B 550 32.179 11.883 -31.210 1.00 65.43 H new ATOM 0 HA VAL B 550 30.142 10.622 -29.870 1.00 41.32 H new ATOM 0 HB VAL B 550 33.042 9.725 -30.133 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.121 7.445 -30.013 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.797 8.369 -28.526 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.501 8.120 -29.720 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.287 8.602 -32.189 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.674 9.326 -31.987 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.085 10.367 -32.288 1.00 22.45 H new ATOM 1783 N ARG B 551 32.747 11.172 -27.886 1.00 22.31 N ATOM 1784 CA ARG B 551 33.152 11.297 -26.491 1.00 13.54 C ATOM 1785 C ARG B 551 32.136 12.116 -25.700 1.00 30.45 C ATOM 1786 O ARG B 551 31.783 11.768 -24.574 1.00 43.25 O ATOM 1787 CB ARG B 551 34.534 11.949 -26.395 1.00 20.34 C ATOM 1788 CG ARG B 551 35.316 11.538 -25.158 1.00 75.53 C ATOM 1789 CD ARG B 551 35.013 12.451 -23.980 1.00 51.12 C ATOM 1790 NE ARG B 551 35.839 12.134 -22.817 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.095 12.544 -22.674 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.666 13.282 -23.615 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.780 12.215 -21.587 1.00 20.42 N ATOM 0 H ARG B 551 33.497 11.332 -28.559 1.00 22.31 H new ATOM 0 HA ARG B 551 33.199 10.296 -26.062 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.111 11.690 -27.282 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.416 13.033 -26.397 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.070 10.509 -24.895 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.384 11.565 -25.375 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.180 13.488 -24.272 1.00 51.12 H new ATOM 0 HD3 ARG B 551 33.960 12.361 -23.713 1.00 51.12 H new ATOM 0 HE ARG B 551 35.429 11.567 -22.075 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.141 13.537 -24.452 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.630 13.595 -23.502 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.343 11.647 -20.861 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.744 12.530 -21.477 1.00 20.42 H new ATOM 1807 N VAL B 552 31.669 13.207 -26.300 1.00 73.21 N ATOM 1808 CA VAL B 552 30.693 14.076 -25.652 1.00 53.54 C ATOM 1809 C VAL B 552 29.346 13.376 -25.506 1.00 31.11 C ATOM 1810 O VAL B 552 28.676 13.506 -24.482 1.00 31.43 O ATOM 1811 CB VAL B 552 30.495 15.384 -26.440 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.362 16.202 -25.843 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.786 16.188 -26.469 1.00 14.55 C ATOM 0 H VAL B 552 31.950 13.510 -27.233 1.00 73.21 H new ATOM 0 HA VAL B 552 31.087 14.312 -24.663 1.00 53.54 H new ATOM 0 HB VAL B 552 30.227 15.132 -27.466 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.238 17.122 -26.414 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.438 15.625 -25.880 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.596 16.446 -24.807 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.628 17.109 -27.030 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.087 16.431 -25.450 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.570 15.601 -26.948 1.00 14.55 H new ATOM 1823 N TYR B 553 28.957 12.633 -26.536 1.00 3.04 N ATOM 1824 CA TYR B 553 27.689 11.913 -26.523 1.00 51.43 C ATOM 1825 C TYR B 553 27.655 10.890 -25.392 1.00 23.41 C ATOM 1826 O TYR B 553 26.668 10.788 -24.661 1.00 65.22 O ATOM 1827 CB TYR B 553 27.462 11.215 -27.865 1.00 50.50 C ATOM 1828 CG TYR B 553 27.042 9.769 -27.732 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.716 9.430 -27.488 1.00 41.54 C ATOM 1830 CD2 TYR B 553 27.970 8.741 -27.847 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.327 8.110 -27.363 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.590 7.418 -27.727 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.267 7.108 -27.484 1.00 52.22 C ATOM 1834 OH TYR B 553 25.886 5.792 -27.362 1.00 2.33 O ATOM 0 H TYR B 553 29.501 12.513 -27.390 1.00 3.04 H new ATOM 0 HA TYR B 553 26.891 12.636 -26.358 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.698 11.757 -28.422 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.380 11.266 -28.451 1.00 50.50 H new ATOM 0 HD1 TYR B 553 24.977 10.212 -27.395 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.006 8.980 -28.033 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.293 7.864 -27.172 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.324 6.631 -27.823 1.00 34.42 H new ATOM 0 HH TYR B 553 26.669 5.213 -27.475 1.00 2.33 H new ATOM 1844 N LEU B 554 28.739 10.135 -25.253 1.00 55.44 N ATOM 1845 CA LEU B 554 28.835 9.119 -24.212 1.00 42.23 C ATOM 1846 C LEU B 554 29.128 9.755 -22.856 1.00 53.42 C ATOM 1847 O LEU B 554 28.771 9.209 -21.812 1.00 74.44 O ATOM 1848 CB LEU B 554 29.927 8.106 -24.559 1.00 44.44 C ATOM 1849 CG LEU B 554 31.281 8.691 -24.961 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.268 8.594 -23.807 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.825 7.978 -26.191 1.00 32.42 C ATOM 0 H LEU B 554 29.564 10.208 -25.849 1.00 55.44 H new ATOM 0 HA LEU B 554 27.876 8.604 -24.152 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.076 7.454 -23.699 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.567 7.479 -25.375 1.00 44.44 H new ATOM 0 HG LEU B 554 31.142 9.744 -25.207 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.226 9.015 -24.111 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.883 9.149 -22.951 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.403 7.548 -23.530 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.789 8.407 -26.463 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.949 6.917 -25.972 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.127 8.098 -27.020 1.00 32.42 H new ATOM 1863 N ASP B 555 29.777 10.914 -22.880 1.00 73.25 N ATOM 1864 CA ASP B 555 30.115 11.627 -21.654 1.00 31.31 C ATOM 1865 C ASP B 555 28.888 12.327 -21.077 1.00 23.23 C ATOM 1866 O ASP B 555 28.753 12.459 -19.860 1.00 34.14 O ATOM 1867 CB ASP B 555 31.221 12.648 -21.921 1.00 72.13 C ATOM 1868 CG ASP B 555 31.644 13.386 -20.666 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.743 12.739 -19.602 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.876 14.610 -20.747 1.00 21.01 O1- ATOM 0 H ASP B 555 30.080 11.380 -23.736 1.00 73.25 H new ATOM 0 HA ASP B 555 30.472 10.899 -20.926 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.085 12.140 -22.348 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.875 13.368 -22.663 1.00 72.13 H new ATOM 1875 N ARG B 556 27.999 12.774 -21.957 1.00 10.54 N ATOM 1876 CA ARG B 556 26.785 13.462 -21.535 1.00 54.44 C ATOM 1877 C ARG B 556 25.643 12.471 -21.327 1.00 72.41 C ATOM 1878 O ARG B 556 24.784 12.668 -20.468 1.00 3.24 O ATOM 1879 CB ARG B 556 26.381 14.511 -22.572 1.00 35.13 C ATOM 1880 CG ARG B 556 25.975 13.920 -23.912 1.00 22.30 C ATOM 1881 CD ARG B 556 24.476 13.678 -23.982 1.00 71.10 C ATOM 1882 NE ARG B 556 24.148 12.502 -24.783 1.00 44.32 N ATOM 1883 CZ ARG B 556 22.978 12.327 -25.388 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.029 13.247 -25.283 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.754 11.229 -26.098 1.00 21.52 N ATOM 0 H ARG B 556 28.096 12.672 -22.967 1.00 10.54 H new ATOM 0 HA ARG B 556 26.990 13.959 -20.587 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.552 15.098 -22.178 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.214 15.198 -22.725 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.274 14.595 -24.714 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.504 12.981 -24.072 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.082 13.551 -22.974 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.987 14.554 -24.407 1.00 71.10 H new ATOM 0 HE ARG B 556 24.856 11.775 -24.884 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.196 14.092 -24.737 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.132 13.110 -25.749 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.480 10.518 -26.180 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.855 11.096 -26.562 1.00 21.52 H new ATOM 1899 N GLY B 557 25.638 11.405 -22.123 1.00 54.40 N ATOM 1900 CA GLY B 557 24.597 10.400 -22.011 1.00 51.20 C ATOM 1901 C GLY B 557 24.473 9.848 -20.605 1.00 73.35 C ATOM 1902 O GLY B 557 23.482 10.100 -19.919 1.00 64.24 O ATOM 0 H GLY B 557 26.336 11.220 -22.843 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.644 10.834 -22.313 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.809 9.583 -22.701 1.00 51.20 H new ATOM 1906 N GLN B 558 25.478 9.092 -20.176 1.00 30.44 N ATOM 1907 CA GLN B 558 25.474 8.502 -18.842 1.00 71.33 C ATOM 1908 C GLN B 558 26.861 8.573 -18.213 1.00 54.22 C ATOM 1909 O GLN B 558 27.013 9.013 -17.073 1.00 65.12 O ATOM 1910 CB GLN B 558 25.005 7.048 -18.907 1.00 32.20 C ATOM 1911 CG GLN B 558 25.685 6.237 -19.999 1.00 10.50 C ATOM 1912 CD GLN B 558 25.061 4.867 -20.183 1.00 44.43 C ATOM 1913 OE1 GLN B 558 24.590 4.528 -21.268 1.00 32.15 O ATOM 1914 NE2 GLN B 558 25.056 4.072 -19.120 1.00 2.10 N ATOM 0 H GLN B 558 26.305 8.873 -20.732 1.00 30.44 H new ATOM 0 HA GLN B 558 24.783 9.072 -18.221 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.190 6.572 -17.944 1.00 32.20 H new ATOM 0 HB3 GLN B 558 23.927 7.030 -19.070 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.632 6.785 -20.940 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.741 6.121 -19.756 1.00 10.50 H new ATOM 0 HE21 GLN B 558 25.458 4.395 -18.240 1.00 2.10 H new ATOM 0 HE22 GLN B 558 24.650 3.138 -19.183 1.00 2.10 H new ATOM 1923 N GLU B 559 27.870 8.138 -18.961 1.00 54.14 N ATOM 1924 CA GLU B 559 29.244 8.151 -18.473 1.00 64.14 C ATOM 1925 C GLU B 559 30.216 7.732 -19.573 1.00 45.44 C ATOM 1926 O GLU B 559 29.812 7.171 -20.591 1.00 54.24 O ATOM 1927 CB GLU B 559 29.389 7.222 -17.266 1.00 42.30 C ATOM 1928 CG GLU B 559 29.262 5.749 -17.614 1.00 15.30 C ATOM 1929 CD GLU B 559 29.446 4.847 -16.409 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.552 4.851 -15.830 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.484 4.138 -16.046 1.00 61.43 O1- ATOM 0 H GLU B 559 27.762 7.772 -19.907 1.00 54.14 H new ATOM 0 HA GLU B 559 29.485 9.169 -18.168 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.359 7.394 -16.800 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.630 7.479 -16.527 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.281 5.567 -18.053 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.003 5.493 -18.371 1.00 15.30 H new ATOM 1938 N ALA B 560 31.498 8.009 -19.358 1.00 3.04 N ATOM 1939 CA ALA B 560 32.528 7.659 -20.329 1.00 50.04 C ATOM 1940 C ALA B 560 32.527 6.161 -20.613 1.00 31.25 C ATOM 1941 O ALA B 560 31.979 5.373 -19.841 1.00 10.24 O ATOM 1942 CB ALA B 560 33.895 8.104 -19.831 1.00 41.05 C ATOM 0 H ALA B 560 31.848 8.474 -18.521 1.00 3.04 H new ATOM 0 HA ALA B 560 32.307 8.179 -21.261 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.655 7.836 -20.566 1.00 41.05 H new ATOM 0 HB2 ALA B 560 33.895 9.184 -19.686 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.116 7.610 -18.885 1.00 41.05 H new ATOM 1948 N ILE B 561 33.146 5.774 -21.724 1.00 73.03 N ATOM 1949 CA ILE B 561 33.218 4.370 -22.109 1.00 2.23 C ATOM 1950 C ILE B 561 34.465 4.091 -22.941 1.00 30.44 C ATOM 1951 O ILE B 561 34.783 4.834 -23.870 1.00 42.35 O ATOM 1952 CB ILE B 561 31.973 3.942 -22.909 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.691 4.945 -24.031 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.768 3.816 -21.989 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.665 4.460 -25.030 1.00 63.22 C ATOM 0 H ILE B 561 33.605 6.413 -22.373 1.00 73.03 H new ATOM 0 HA ILE B 561 33.264 3.791 -21.186 1.00 2.23 H new ATOM 0 HB ILE B 561 32.166 2.967 -23.358 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.345 5.881 -23.592 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.622 5.163 -24.555 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.897 3.513 -22.570 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.972 3.068 -21.223 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.571 4.777 -21.514 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.515 5.221 -25.796 1.00 63.22 H new ATOM 0 HD12 ILE B 561 31.018 3.540 -25.496 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.721 4.269 -24.519 1.00 63.22 H new