USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 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= -0.944! K(o=-0.55!,f=-4.7) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= 0.394 F(o=-3.5,f=-0.55) USER MOD Set 2.1: A 130 ASN : amide:sc= 0.404 K(o=0.73,f=-2.5!) USER MOD Set 2.2: B 558 GLN : amide:sc= 0.331 K(o=0.73,f=-0.77) USER MOD Set 3.1: A 116 MET CE :methyl 165:sc= 0 (180deg=-0.279) USER MOD Set 3.2: 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 91 THR OG1 : rot 98:sc= -1.29 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD Single : A 97 THR OG1 : rot -86:sc= -1.52 USER MOD Single : A 100 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.29) USER MOD Single : A 102 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.0027) USER MOD Single : A 104 GLN : amide:sc= -3.13 K(o=-3.1,f=-8.7!) 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 33:sc= 0.281 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0566 X(o=-0.057,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN :FLIP amide:sc= -0.816 F(o=-1.6,f=-0.82) USER MOD Single : A 136 THR OG1 : rot 19:sc= -0.263 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 30:sc= -0.364 USER MOD ----------------------------------------------------------------- ATOM 224 N CYS A 85 27.264 0.220 -24.457 1.00 41.44 N ATOM 225 CA CYS A 85 28.642 0.451 -24.873 1.00 10.24 C ATOM 226 C CYS A 85 28.816 0.157 -26.360 1.00 23.33 C ATOM 227 O CYS A 85 29.486 0.903 -27.075 1.00 44.32 O ATOM 228 CB CYS A 85 29.598 -0.418 -24.055 1.00 12.32 C ATOM 229 SG CYS A 85 29.398 -0.252 -22.266 1.00 24.32 S ATOM 0 HA CYS A 85 28.877 1.501 -24.697 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.449 -1.462 -24.331 1.00 12.32 H new ATOM 0 HB3 CYS A 85 30.623 -0.161 -24.321 1.00 12.32 H new ATOM 0 HG CYS A 85 30.248 -1.027 -21.661 1.00 24.32 H new ATOM 235 N GLU A 86 28.211 -0.934 -26.818 1.00 41.31 N ATOM 236 CA GLU A 86 28.302 -1.326 -28.219 1.00 23.33 C ATOM 237 C GLU A 86 27.927 -0.164 -29.135 1.00 54.43 C ATOM 238 O GLU A 86 28.414 -0.063 -30.261 1.00 14.41 O ATOM 239 CB GLU A 86 27.389 -2.523 -28.497 1.00 70.34 C ATOM 240 CG GLU A 86 27.481 -3.040 -29.923 1.00 12.31 C ATOM 241 CD GLU A 86 26.232 -3.782 -30.355 1.00 71.01 C ATOM 242 OE1 GLU A 86 25.169 -3.136 -30.469 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.316 -5.006 -30.582 1.00 72.23 O1- ATOM 0 H GLU A 86 27.653 -1.562 -26.239 1.00 41.31 H new ATOM 0 HA GLU A 86 29.334 -1.609 -28.424 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.643 -3.330 -27.810 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.358 -2.239 -28.288 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.654 -2.202 -30.599 1.00 12.31 H new ATOM 0 HG3 GLU A 86 28.342 -3.703 -30.010 1.00 12.31 H new ATOM 250 N LYS A 87 27.057 0.712 -28.644 1.00 3.45 N ATOM 251 CA LYS A 87 26.615 1.868 -29.415 1.00 44.40 C ATOM 252 C LYS A 87 27.808 2.644 -29.962 1.00 54.55 C ATOM 253 O LYS A 87 27.704 3.322 -30.985 1.00 13.23 O ATOM 254 CB LYS A 87 25.750 2.785 -28.548 1.00 41.11 C ATOM 255 CG LYS A 87 24.276 2.756 -28.916 1.00 30.21 C ATOM 256 CD LYS A 87 23.494 1.816 -28.014 1.00 62.43 C ATOM 257 CE LYS A 87 23.075 0.555 -28.753 1.00 44.42 C ATOM 258 NZ LYS A 87 21.900 0.796 -29.637 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.643 0.643 -27.714 1.00 3.45 H new ATOM 0 HA LYS A 87 26.022 1.508 -30.255 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.861 2.495 -27.503 1.00 41.11 H new ATOM 0 HB3 LYS A 87 26.118 3.807 -28.635 1.00 41.11 H new ATOM 0 HG2 LYS A 87 23.862 3.761 -28.842 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.165 2.442 -29.954 1.00 30.21 H new ATOM 0 HD2 LYS A 87 24.103 1.548 -27.151 1.00 62.43 H new ATOM 0 HD3 LYS A 87 22.610 2.327 -27.634 1.00 62.43 H new ATOM 0 HE2 LYS A 87 23.910 0.189 -29.350 1.00 44.42 H new ATOM 0 HE3 LYS A 87 22.833 -0.226 -28.032 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 21.645 -0.087 -30.123 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.095 1.121 -29.064 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 22.139 1.523 -30.342 1.00 70.52 H new ATOM 272 N TYR A 88 28.940 2.541 -29.276 1.00 73.21 N ATOM 273 CA TYR A 88 30.153 3.236 -29.692 1.00 74.10 C ATOM 274 C TYR A 88 30.426 3.011 -31.176 1.00 50.10 C ATOM 275 O TYR A 88 30.977 3.877 -31.856 1.00 0.51 O ATOM 276 CB TYR A 88 31.348 2.760 -28.865 1.00 0.31 C ATOM 277 CG TYR A 88 32.030 1.536 -29.434 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.389 0.303 -29.449 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.316 1.613 -29.955 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.008 -0.817 -29.968 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.943 0.498 -30.477 1.00 45.43 C ATOM 282 CZ TYR A 88 33.285 -0.715 -30.481 1.00 51.51 C ATOM 283 OH TYR A 88 33.906 -1.828 -30.999 1.00 33.11 O ATOM 0 H TYR A 88 29.044 1.983 -28.429 1.00 73.21 H new ATOM 0 HA TYR A 88 30.006 4.303 -29.525 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.074 3.569 -28.793 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.013 2.541 -27.851 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.390 0.219 -29.048 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.834 2.561 -29.952 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.495 -1.768 -29.972 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.942 0.575 -30.880 1.00 45.43 H new ATOM 0 HH TYR A 88 34.800 -1.585 -31.319 1.00 33.11 H new ATOM 293 N LYS A 89 30.036 1.842 -31.673 1.00 34.53 N ATOM 294 CA LYS A 89 30.236 1.502 -33.076 1.00 32.43 C ATOM 295 C LYS A 89 29.347 2.355 -33.976 1.00 22.43 C ATOM 296 O LYS A 89 29.840 3.112 -34.811 1.00 3.10 O ATOM 297 CB LYS A 89 29.940 0.018 -33.309 1.00 53.34 C ATOM 298 CG LYS A 89 30.501 -0.516 -34.616 1.00 63.43 C ATOM 299 CD LYS A 89 29.480 -0.431 -35.738 1.00 14.45 C ATOM 300 CE LYS A 89 28.329 -1.400 -35.518 1.00 72.22 C ATOM 301 NZ LYS A 89 27.522 -1.593 -36.754 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.579 1.114 -31.124 1.00 34.53 H new ATOM 0 HA LYS A 89 31.277 1.704 -33.328 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.353 -0.560 -32.483 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.861 -0.135 -33.297 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.391 0.051 -34.889 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.811 -1.552 -34.483 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.093 0.586 -35.803 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.964 -0.650 -36.690 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.722 -2.361 -35.187 1.00 72.22 H new ATOM 0 HE3 LYS A 89 27.687 -1.026 -34.720 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 26.748 -2.260 -36.562 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 27.126 -0.680 -37.056 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 28.128 -1.974 -37.508 1.00 43.33 H new ATOM 315 N GLN A 90 28.036 2.229 -33.796 1.00 2.13 N ATOM 316 CA GLN A 90 27.079 2.989 -34.591 1.00 14.13 C ATOM 317 C GLN A 90 27.329 4.488 -34.454 1.00 2.13 C ATOM 318 O GLN A 90 27.185 5.243 -35.417 1.00 41.43 O ATOM 319 CB GLN A 90 25.649 2.657 -34.161 1.00 44.13 C ATOM 320 CG GLN A 90 24.613 2.919 -35.243 1.00 72.41 C ATOM 321 CD GLN A 90 23.348 2.107 -35.049 1.00 65.22 C ATOM 322 OE1 GLN A 90 22.275 2.657 -34.800 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.468 0.789 -35.162 1.00 61.02 N ATOM 0 H GLN A 90 27.613 1.608 -33.107 1.00 2.13 H new ATOM 0 HA GLN A 90 27.210 2.710 -35.637 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.600 1.608 -33.869 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.398 3.245 -33.279 1.00 44.13 H new ATOM 0 HG2 GLN A 90 24.362 3.980 -35.251 1.00 72.41 H new ATOM 0 HG3 GLN A 90 25.044 2.686 -36.217 1.00 72.41 H new ATOM 0 HE21 GLN A 90 24.377 0.376 -35.369 1.00 61.02 H new ATOM 0 HE22 GLN A 90 22.651 0.190 -35.041 1.00 61.02 H new ATOM 332 N THR A 91 27.703 4.913 -33.252 1.00 22.11 N ATOM 333 CA THR A 91 27.971 6.322 -32.989 1.00 23.40 C ATOM 334 C THR A 91 29.164 6.816 -33.799 1.00 53.31 C ATOM 335 O THR A 91 29.060 7.786 -34.550 1.00 13.14 O ATOM 336 CB THR A 91 28.241 6.573 -31.493 1.00 43.34 C ATOM 337 OG1 THR A 91 29.416 5.865 -31.082 1.00 21.23 O ATOM 338 CG2 THR A 91 27.056 6.132 -30.648 1.00 21.32 C ATOM 0 H THR A 91 27.827 4.302 -32.445 1.00 22.11 H new ATOM 0 HA THR A 91 27.080 6.874 -33.287 1.00 23.40 H new ATOM 0 HB THR A 91 28.392 7.643 -31.348 1.00 43.34 H new ATOM 0 HG1 THR A 91 30.183 6.475 -31.084 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.270 6.319 -29.596 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.170 6.693 -30.943 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.878 5.067 -30.798 1.00 21.32 H new ATOM 346 N LYS A 92 30.298 6.141 -33.643 1.00 31.12 N ATOM 347 CA LYS A 92 31.513 6.509 -34.361 1.00 63.03 C ATOM 348 C LYS A 92 31.263 6.554 -35.865 1.00 75.23 C ATOM 349 O LYS A 92 31.682 7.491 -36.545 1.00 51.33 O ATOM 350 CB LYS A 92 32.635 5.516 -34.050 1.00 4.45 C ATOM 351 CG LYS A 92 34.024 6.130 -34.107 1.00 1.42 C ATOM 352 CD LYS A 92 35.014 5.349 -33.260 1.00 63.25 C ATOM 353 CE LYS A 92 35.038 5.854 -31.825 1.00 65.32 C ATOM 354 NZ LYS A 92 36.180 5.286 -31.057 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.401 5.336 -33.025 1.00 31.12 H new ATOM 0 HA LYS A 92 31.814 7.503 -34.030 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.473 5.097 -33.057 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.583 4.689 -34.758 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.369 6.156 -35.141 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.981 7.162 -33.759 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.749 4.292 -33.271 1.00 63.25 H new ATOM 0 HD3 LYS A 92 36.011 5.432 -33.693 1.00 63.25 H new ATOM 0 HE2 LYS A 92 35.105 6.942 -31.824 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.102 5.591 -31.332 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.162 5.654 -30.084 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.103 4.249 -31.036 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 37.074 5.558 -31.513 1.00 44.20 H new ATOM 368 N GLU A 93 30.577 5.537 -36.377 1.00 42.21 N ATOM 369 CA GLU A 93 30.272 5.463 -37.801 1.00 71.42 C ATOM 370 C GLU A 93 29.422 6.653 -38.238 1.00 60.11 C ATOM 371 O GLU A 93 29.682 7.267 -39.272 1.00 73.42 O ATOM 372 CB GLU A 93 29.542 4.156 -38.121 1.00 74.41 C ATOM 373 CG GLU A 93 29.525 3.815 -39.602 1.00 73.24 C ATOM 374 CD GLU A 93 28.250 3.114 -40.025 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.288 3.813 -40.409 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.211 1.867 -39.970 1.00 60.10 O1- ATOM 0 H GLU A 93 30.222 4.754 -35.828 1.00 42.21 H new ATOM 0 HA GLU A 93 31.213 5.490 -38.350 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.017 3.341 -37.575 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.516 4.225 -37.761 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.642 4.730 -40.183 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.379 3.179 -39.834 1.00 73.24 H new ATOM 383 N GLN A 94 28.405 6.970 -37.443 1.00 40.54 N ATOM 384 CA GLN A 94 27.516 8.085 -37.748 1.00 30.21 C ATOM 385 C GLN A 94 28.282 9.404 -37.759 1.00 52.42 C ATOM 386 O GLN A 94 27.977 10.303 -38.543 1.00 15.43 O ATOM 387 CB GLN A 94 26.378 8.151 -36.729 1.00 23.31 C ATOM 388 CG GLN A 94 25.128 7.401 -37.163 1.00 1.33 C ATOM 389 CD GLN A 94 24.022 7.462 -36.128 1.00 51.31 C ATOM 390 OE1 GLN A 94 22.991 8.100 -36.342 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.231 6.796 -34.998 1.00 14.24 N ATOM 0 H GLN A 94 28.176 6.471 -36.583 1.00 40.54 H new ATOM 0 HA GLN A 94 27.096 7.921 -38.740 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.726 7.742 -35.781 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.121 9.195 -36.550 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.765 7.820 -38.102 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.383 6.359 -37.356 1.00 1.33 H new ATOM 0 HE21 GLN A 94 25.101 6.280 -34.863 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.522 6.800 -34.265 1.00 14.24 H new ATOM 400 N ALA A 95 29.276 9.513 -36.884 1.00 25.00 N ATOM 401 CA ALA A 95 30.086 10.722 -36.795 1.00 45.15 C ATOM 402 C ALA A 95 30.943 10.902 -38.043 1.00 70.10 C ATOM 403 O ALA A 95 30.813 11.895 -38.759 1.00 11.14 O ATOM 404 CB ALA A 95 30.962 10.678 -35.552 1.00 72.43 C ATOM 0 H ALA A 95 29.540 8.779 -36.227 1.00 25.00 H new ATOM 0 HA ALA A 95 29.413 11.577 -36.723 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.562 11.586 -35.497 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.332 10.605 -34.665 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.621 9.811 -35.602 1.00 72.43 H new ATOM 410 N LEU A 96 31.818 9.936 -38.298 1.00 21.34 N ATOM 411 CA LEU A 96 32.698 9.988 -39.460 1.00 71.41 C ATOM 412 C LEU A 96 31.895 10.173 -40.744 1.00 65.14 C ATOM 413 O LEU A 96 32.309 10.896 -41.650 1.00 60.24 O ATOM 414 CB LEU A 96 33.536 8.712 -39.548 1.00 41.41 C ATOM 415 CG LEU A 96 32.768 7.395 -39.434 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.319 6.918 -40.807 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.621 6.336 -38.753 1.00 62.41 C ATOM 0 H LEU A 96 31.937 9.107 -37.716 1.00 21.34 H new ATOM 0 HA LEU A 96 33.363 10.844 -39.343 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.070 8.717 -40.498 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.288 8.740 -38.760 1.00 41.41 H new ATOM 0 HG LEU A 96 31.882 7.566 -38.823 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.774 5.979 -40.706 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.669 7.668 -41.258 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.191 6.764 -41.442 1.00 0.51 H new ATOM 0 HD21 LEU A 96 33.057 5.406 -38.681 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.526 6.168 -39.336 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.892 6.675 -37.753 1.00 62.41 H new ATOM 429 N THR A 97 30.742 9.515 -40.813 1.00 53.12 N ATOM 430 CA THR A 97 29.880 9.607 -41.984 1.00 4.23 C ATOM 431 C THR A 97 29.371 11.030 -42.183 1.00 42.31 C ATOM 432 O THR A 97 29.414 11.566 -43.289 1.00 43.35 O ATOM 433 CB THR A 97 28.674 8.654 -41.870 1.00 75.23 C ATOM 434 OG1 THR A 97 28.078 8.771 -40.574 1.00 52.14 O ATOM 435 CG2 THR A 97 29.098 7.212 -42.111 1.00 3.45 C ATOM 0 H THR A 97 30.384 8.913 -40.072 1.00 53.12 H new ATOM 0 HA THR A 97 30.484 9.317 -42.844 1.00 4.23 H new ATOM 0 HB THR A 97 27.945 8.933 -42.631 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.538 8.174 -39.947 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.230 6.558 -42.025 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.524 7.120 -43.110 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.844 6.923 -41.370 1.00 3.45 H new ATOM 443 N PHE A 98 28.889 11.637 -41.103 1.00 64.32 N ATOM 444 CA PHE A 98 28.372 12.999 -41.159 1.00 20.12 C ATOM 445 C PHE A 98 29.506 14.004 -41.331 1.00 70.44 C ATOM 446 O PHE A 98 29.306 15.096 -41.864 1.00 24.53 O ATOM 447 CB PHE A 98 27.579 13.318 -39.889 1.00 4.32 C ATOM 448 CG PHE A 98 28.147 14.464 -39.101 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.826 15.772 -39.425 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.002 14.232 -38.035 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.347 16.828 -38.702 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.526 15.285 -37.308 1.00 2.32 C ATOM 453 CZ PHE A 98 29.199 16.584 -37.642 1.00 14.52 C ATOM 0 H PHE A 98 28.846 11.207 -40.179 1.00 64.32 H new ATOM 0 HA PHE A 98 27.710 13.075 -42.021 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.549 13.550 -40.161 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.550 12.431 -39.256 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.161 15.969 -40.253 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.262 13.218 -37.769 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.089 17.843 -38.965 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.191 15.091 -36.479 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.608 17.408 -37.076 1.00 14.52 H new ATOM 463 N PHE A 99 30.696 13.629 -40.876 1.00 61.53 N ATOM 464 CA PHE A 99 31.863 14.498 -40.978 1.00 61.41 C ATOM 465 C PHE A 99 32.468 14.434 -42.377 1.00 60.30 C ATOM 466 O PHE A 99 32.956 15.435 -42.899 1.00 64.11 O ATOM 467 CB PHE A 99 32.912 14.102 -39.937 1.00 43.00 C ATOM 468 CG PHE A 99 34.167 14.923 -40.009 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.319 14.404 -40.580 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.197 16.214 -39.507 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.476 15.158 -40.647 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.351 16.972 -39.573 1.00 44.24 C ATOM 473 CZ PHE A 99 36.491 16.444 -40.143 1.00 54.34 C ATOM 0 H PHE A 99 30.878 12.729 -40.433 1.00 61.53 H new ATOM 0 HA PHE A 99 31.541 15.522 -40.788 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.479 14.201 -38.941 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.167 13.051 -40.071 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.312 13.400 -40.977 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.308 16.633 -39.059 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.367 14.742 -41.093 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.360 17.977 -39.178 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.393 17.035 -40.195 1.00 54.34 H new ATOM 483 N GLN A 100 32.432 13.249 -42.976 1.00 31.14 N ATOM 484 CA GLN A 100 32.978 13.053 -44.314 1.00 2.22 C ATOM 485 C GLN A 100 31.963 13.453 -45.381 1.00 64.05 C ATOM 486 O GLN A 100 32.324 14.009 -46.416 1.00 14.00 O ATOM 487 CB GLN A 100 33.395 11.595 -44.511 1.00 53.03 C ATOM 488 CG GLN A 100 32.221 10.633 -44.597 1.00 64.35 C ATOM 489 CD GLN A 100 32.643 9.183 -44.463 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.310 8.348 -45.304 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.380 8.876 -43.402 1.00 14.41 N ATOM 0 H GLN A 100 32.031 12.410 -42.557 1.00 31.14 H new ATOM 0 HA GLN A 100 33.856 13.691 -44.416 1.00 2.22 H new ATOM 0 HB2 GLN A 100 33.987 11.515 -45.423 1.00 53.03 H new ATOM 0 HB3 GLN A 100 34.040 11.295 -43.685 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.502 10.872 -43.813 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.711 10.772 -45.550 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.633 9.600 -42.730 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.693 7.916 -43.259 1.00 14.41 H new ATOM 500 N GLU A 101 30.693 13.163 -45.118 1.00 35.51 N ATOM 501 CA GLU A 101 29.626 13.491 -46.057 1.00 4.42 C ATOM 502 C GLU A 101 29.272 14.974 -45.981 1.00 73.11 C ATOM 503 O GLU A 101 28.955 15.600 -46.994 1.00 13.41 O ATOM 504 CB GLU A 101 28.384 12.644 -45.769 1.00 74.32 C ATOM 505 CG GLU A 101 28.585 11.161 -46.030 1.00 62.12 C ATOM 506 CD GLU A 101 28.718 10.841 -47.507 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.316 11.687 -48.334 1.00 22.34 O ATOM 508 OE2 GLU A 101 29.224 9.748 -47.835 1.00 61.22 O1- ATOM 0 H GLU A 101 30.378 12.702 -44.264 1.00 35.51 H new ATOM 0 HA GLU A 101 29.982 13.270 -47.063 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.092 12.785 -44.728 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.559 13.004 -46.383 1.00 74.32 H new ATOM 0 HG2 GLU A 101 29.479 10.822 -45.507 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.743 10.606 -45.616 1.00 62.12 H new ATOM 515 N HIS A 102 29.328 15.529 -44.775 1.00 15.43 N ATOM 516 CA HIS A 102 29.013 16.938 -44.567 1.00 21.40 C ATOM 517 C HIS A 102 30.086 17.615 -43.718 1.00 72.54 C ATOM 518 O HIS A 102 29.851 18.009 -42.575 1.00 40.35 O ATOM 519 CB HIS A 102 27.648 17.083 -43.895 1.00 2.24 C ATOM 520 CG HIS A 102 26.512 17.198 -44.865 1.00 13.40 C ATOM 521 ND1 HIS A 102 25.403 16.381 -44.826 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.318 18.044 -45.904 1.00 34.24 C ATOM 523 CE1 HIS A 102 24.576 16.717 -45.800 1.00 44.23 C ATOM 524 NE2 HIS A 102 25.108 17.724 -46.468 1.00 62.12 N ATOM 0 H HIS A 102 29.588 15.025 -43.927 1.00 15.43 H new ATOM 0 HA HIS A 102 28.984 17.426 -45.541 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.477 16.222 -43.248 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.659 17.965 -43.255 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.990 18.825 -46.229 1.00 34.24 H new ATOM 0 HE1 HIS A 102 23.627 16.248 -46.013 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.688 18.189 -47.273 1.00 62.12 H new ATOM 533 N PRO A 103 31.292 17.752 -44.287 1.00 40.25 N ATOM 534 CA PRO A 103 32.425 18.380 -43.600 1.00 34.11 C ATOM 535 C PRO A 103 32.231 19.881 -43.417 1.00 22.13 C ATOM 536 O PRO A 103 32.682 20.678 -44.239 1.00 74.22 O ATOM 537 CB PRO A 103 33.605 18.102 -44.534 1.00 54.42 C ATOM 538 CG PRO A 103 32.991 17.932 -45.881 1.00 30.51 C ATOM 539 CD PRO A 103 31.645 17.305 -45.645 1.00 20.03 C ATOM 0 HA PRO A 103 32.560 17.986 -42.593 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.319 18.926 -44.526 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.148 17.207 -44.231 1.00 54.42 H new ATOM 0 HG2 PRO A 103 32.891 18.891 -46.389 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.611 17.299 -46.516 1.00 30.51 H new ATOM 0 HD2 PRO A 103 30.913 17.638 -46.380 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.691 16.218 -45.711 1.00 20.03 H new ATOM 547 N GLN A 104 31.559 20.260 -42.335 1.00 53.52 N ATOM 548 CA GLN A 104 31.307 21.666 -42.046 1.00 32.12 C ATOM 549 C GLN A 104 32.600 22.474 -42.099 1.00 3.31 C ATOM 550 O GLN A 104 32.605 23.630 -42.521 1.00 4.35 O ATOM 551 CB GLN A 104 30.652 21.817 -40.671 1.00 52.22 C ATOM 552 CG GLN A 104 31.460 21.196 -39.542 1.00 72.42 C ATOM 553 CD GLN A 104 30.601 20.811 -38.354 1.00 53.42 C ATOM 554 OE1 GLN A 104 29.864 21.635 -37.812 1.00 50.22 O ATOM 555 NE2 GLN A 104 30.690 19.551 -37.942 1.00 43.34 N ATOM 0 H GLN A 104 31.179 19.613 -41.644 1.00 53.52 H new ATOM 0 HA GLN A 104 30.629 22.051 -42.808 1.00 32.12 H new ATOM 0 HB2 GLN A 104 30.505 22.877 -40.462 1.00 52.22 H new ATOM 0 HB3 GLN A 104 29.664 21.357 -40.696 1.00 52.22 H new ATOM 0 HG2 GLN A 104 31.977 20.311 -39.914 1.00 72.42 H new ATOM 0 HG3 GLN A 104 32.226 21.900 -39.219 1.00 72.42 H new ATOM 0 HE21 GLN A 104 31.314 18.901 -38.420 1.00 43.34 H new ATOM 0 HE22 GLN A 104 30.135 19.234 -37.148 1.00 43.34 H new ATOM 564 N TYR A 105 33.694 21.856 -41.667 1.00 14.32 N ATOM 565 CA TYR A 105 34.993 22.519 -41.662 1.00 65.43 C ATOM 566 C TYR A 105 35.375 22.979 -43.065 1.00 72.42 C ATOM 567 O TYR A 105 36.006 24.022 -43.237 1.00 15.51 O ATOM 568 CB TYR A 105 36.066 21.577 -41.113 1.00 13.44 C ATOM 569 CG TYR A 105 37.457 22.170 -41.130 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.550 21.417 -41.540 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.678 23.484 -40.735 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.823 21.953 -41.556 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.948 24.030 -40.750 1.00 62.22 C ATOM 574 CZ TYR A 105 40.016 23.261 -41.160 1.00 63.32 C ATOM 575 OH TYR A 105 41.282 23.800 -41.176 1.00 2.35 O ATOM 0 H TYR A 105 33.707 20.898 -41.316 1.00 14.32 H new ATOM 0 HA TYR A 105 34.923 23.396 -41.018 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.809 21.304 -40.090 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.065 20.658 -41.698 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.402 20.394 -41.852 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.844 24.089 -40.411 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.662 21.353 -41.876 1.00 40.14 H new ATOM 0 HE2 TYR A 105 39.103 25.054 -40.442 1.00 62.22 H new ATOM 0 HH TYR A 105 41.245 24.730 -40.869 1.00 2.35 H new ATOM 585 N MET A 106 34.985 22.195 -44.065 1.00 2.13 N ATOM 586 CA MET A 106 35.285 22.523 -45.454 1.00 12.33 C ATOM 587 C MET A 106 34.394 23.657 -45.949 1.00 34.43 C ATOM 588 O MET A 106 34.742 24.366 -46.894 1.00 14.31 O ATOM 589 CB MET A 106 35.103 21.290 -46.342 1.00 2.20 C ATOM 590 CG MET A 106 35.470 21.531 -47.797 1.00 33.23 C ATOM 591 SD MET A 106 34.028 21.812 -48.841 1.00 45.54 S ATOM 592 CE MET A 106 34.183 20.460 -50.006 1.00 62.30 C ATOM 0 H MET A 106 34.461 21.329 -43.940 1.00 2.13 H new ATOM 0 HA MET A 106 36.323 22.851 -45.508 1.00 12.33 H new ATOM 0 HB2 MET A 106 35.715 20.477 -45.951 1.00 2.20 H new ATOM 0 HB3 MET A 106 34.065 20.962 -46.287 1.00 2.20 H new ATOM 0 HG2 MET A 106 36.134 22.393 -47.862 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.025 20.672 -48.175 1.00 33.23 H new ATOM 0 HE1 MET A 106 33.360 20.498 -50.720 1.00 62.30 H new ATOM 0 HE2 MET A 106 35.130 20.546 -50.539 1.00 62.30 H new ATOM 0 HE3 MET A 106 34.154 19.512 -49.469 1.00 62.30 H new ATOM 602 N ARG A 107 33.243 23.824 -45.305 1.00 64.32 N ATOM 603 CA ARG A 107 32.301 24.872 -45.681 1.00 35.05 C ATOM 604 C ARG A 107 32.649 26.187 -44.993 1.00 22.20 C ATOM 605 O ARG A 107 32.711 27.237 -45.633 1.00 15.10 O ATOM 606 CB ARG A 107 30.874 24.456 -45.322 1.00 40.51 C ATOM 607 CG ARG A 107 30.260 23.471 -46.302 1.00 44.25 C ATOM 608 CD ARG A 107 28.778 23.266 -46.031 1.00 14.22 C ATOM 609 NE ARG A 107 27.949 24.212 -46.774 1.00 62.33 N ATOM 610 CZ ARG A 107 27.714 24.118 -48.078 1.00 43.41 C ATOM 611 NH1 ARG A 107 28.243 23.125 -48.779 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 26.949 25.018 -48.682 1.00 71.14 N ATOM 0 H ARG A 107 32.940 23.247 -44.520 1.00 64.32 H new ATOM 0 HA ARG A 107 32.368 25.018 -46.759 1.00 35.05 H new ATOM 0 HB2 ARG A 107 30.874 24.012 -44.326 1.00 40.51 H new ATOM 0 HB3 ARG A 107 30.247 25.346 -45.274 1.00 40.51 H new ATOM 0 HG2 ARG A 107 30.398 23.835 -47.320 1.00 44.25 H new ATOM 0 HG3 ARG A 107 30.779 22.515 -46.232 1.00 44.25 H new ATOM 0 HD2 ARG A 107 28.498 22.248 -46.302 1.00 14.22 H new ATOM 0 HD3 ARG A 107 28.586 23.376 -44.964 1.00 14.22 H new ATOM 0 HE ARG A 107 27.527 24.988 -46.263 1.00 62.33 H new ATOM 0 HH11 ARG A 107 28.831 22.432 -48.317 1.00 11.24 H new ATOM 0 HH12 ARG A 107 28.062 23.054 -49.780 1.00 11.24 H new ATOM 0 HH21 ARG A 107 26.541 25.783 -48.145 1.00 71.14 H new ATOM 0 HH22 ARG A 107 26.769 24.945 -49.683 1.00 71.14 H new ATOM 626 N SER A 108 32.875 26.124 -43.684 1.00 32.45 N ATOM 627 CA SER A 108 33.212 27.311 -42.907 1.00 62.54 C ATOM 628 C SER A 108 33.967 26.934 -41.637 1.00 72.04 C ATOM 629 O SER A 108 33.615 25.972 -40.955 1.00 3.11 O ATOM 630 CB SER A 108 31.944 28.089 -42.548 1.00 72.53 C ATOM 631 OG SER A 108 31.662 29.082 -43.520 1.00 0.01 O ATOM 0 H SER A 108 32.831 25.263 -43.139 1.00 32.45 H new ATOM 0 HA SER A 108 33.857 27.943 -43.518 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.102 27.402 -42.471 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.065 28.556 -41.571 1.00 72.53 H new ATOM 0 HG SER A 108 31.948 28.766 -44.403 1.00 0.01 H new ATOM 637 N LYS A 109 35.008 27.698 -41.326 1.00 71.21 N ATOM 638 CA LYS A 109 35.815 27.447 -40.138 1.00 31.02 C ATOM 639 C LYS A 109 35.019 27.736 -38.869 1.00 3.25 C ATOM 640 O LYS A 109 35.168 27.044 -37.863 1.00 50.22 O ATOM 641 CB LYS A 109 37.082 28.305 -40.164 1.00 21.34 C ATOM 642 CG LYS A 109 36.804 29.797 -40.202 1.00 52.33 C ATOM 643 CD LYS A 109 38.038 30.585 -40.607 1.00 1.02 C ATOM 644 CE LYS A 109 38.333 30.435 -42.092 1.00 51.12 C ATOM 645 NZ LYS A 109 39.789 30.554 -42.384 1.00 73.22 N1+ ATOM 0 H LYS A 109 35.313 28.497 -41.881 1.00 71.21 H new ATOM 0 HA LYS A 109 36.097 26.394 -40.138 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.683 28.078 -39.283 1.00 21.34 H new ATOM 0 HB3 LYS A 109 37.678 28.032 -41.035 1.00 21.34 H new ATOM 0 HG2 LYS A 109 35.995 29.999 -40.904 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.465 30.130 -39.221 1.00 52.33 H new ATOM 0 HD2 LYS A 109 37.893 31.639 -40.369 1.00 1.02 H new ATOM 0 HD3 LYS A 109 38.896 30.243 -40.028 1.00 1.02 H new ATOM 0 HE2 LYS A 109 37.971 29.467 -42.438 1.00 51.12 H new ATOM 0 HE3 LYS A 109 37.788 31.197 -42.649 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 39.948 30.446 -43.406 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 40.129 31.488 -42.077 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 40.307 29.811 -41.873 1.00 73.22 H new ATOM 659 N GLU A 110 34.174 28.761 -38.926 1.00 44.12 N ATOM 660 CA GLU A 110 33.356 29.139 -37.781 1.00 65.03 C ATOM 661 C GLU A 110 32.195 28.166 -37.596 1.00 4.22 C ATOM 662 O GLU A 110 31.805 27.854 -36.472 1.00 42.42 O ATOM 663 CB GLU A 110 32.820 30.562 -37.957 1.00 51.22 C ATOM 664 CG GLU A 110 31.854 30.709 -39.120 1.00 52.11 C ATOM 665 CD GLU A 110 31.854 32.108 -39.705 1.00 73.11 C ATOM 666 OE1 GLU A 110 31.155 32.329 -40.716 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.553 32.983 -39.151 1.00 64.00 O1- ATOM 0 H GLU A 110 34.039 29.343 -39.752 1.00 44.12 H new ATOM 0 HA GLU A 110 33.984 29.102 -36.891 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.319 30.869 -37.039 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.659 31.242 -38.105 1.00 51.22 H new ATOM 0 HG2 GLU A 110 32.117 29.994 -39.899 1.00 52.11 H new ATOM 0 HG3 GLU A 110 30.847 30.459 -38.785 1.00 52.11 H new ATOM 674 N ASP A 111 31.647 27.691 -38.710 1.00 31.12 N ATOM 675 CA ASP A 111 30.531 26.753 -38.672 1.00 2.31 C ATOM 676 C ASP A 111 30.862 25.549 -37.796 1.00 54.23 C ATOM 677 O ASP A 111 30.106 25.205 -36.887 1.00 72.33 O ATOM 678 CB ASP A 111 30.180 26.288 -40.086 1.00 61.15 C ATOM 679 CG ASP A 111 28.855 25.554 -40.142 1.00 72.04 C ATOM 680 OD1 ASP A 111 27.869 26.147 -40.626 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.804 24.387 -39.701 1.00 75.41 O1- ATOM 0 H ASP A 111 31.957 27.940 -39.649 1.00 31.12 H new ATOM 0 HA ASP A 111 29.671 27.267 -38.242 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.142 27.151 -40.750 1.00 61.15 H new ATOM 0 HB3 ASP A 111 30.970 25.635 -40.457 1.00 61.15 H new ATOM 686 N GLU A 112 31.995 24.913 -38.075 1.00 32.13 N ATOM 687 CA GLU A 112 32.423 23.746 -37.313 1.00 62.34 C ATOM 688 C GLU A 112 32.417 24.043 -35.816 1.00 34.15 C ATOM 689 O GLU A 112 31.779 23.335 -35.037 1.00 35.11 O ATOM 690 CB GLU A 112 33.823 23.310 -37.751 1.00 32.10 C ATOM 691 CG GLU A 112 34.227 21.943 -37.224 1.00 0.21 C ATOM 692 CD GLU A 112 34.932 22.019 -35.884 1.00 23.14 C ATOM 693 OE1 GLU A 112 34.243 21.934 -34.845 1.00 62.45 O ATOM 694 OE2 GLU A 112 36.172 22.164 -35.873 1.00 14.24 O1- ATOM 0 H GLU A 112 32.633 25.186 -38.823 1.00 32.13 H new ATOM 0 HA GLU A 112 31.720 22.937 -37.509 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.867 23.298 -38.840 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.548 24.050 -37.411 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.339 21.318 -37.128 1.00 0.21 H new ATOM 0 HG3 GLU A 112 34.882 21.458 -37.948 1.00 0.21 H new ATOM 701 N GLU A 113 33.132 25.092 -35.423 1.00 34.35 N ATOM 702 CA GLU A 113 33.209 25.481 -34.020 1.00 1.04 C ATOM 703 C GLU A 113 31.818 25.740 -33.449 1.00 62.52 C ATOM 704 O GLU A 113 31.424 25.137 -32.450 1.00 62.44 O ATOM 705 CB GLU A 113 34.078 26.730 -33.860 1.00 30.23 C ATOM 706 CG GLU A 113 35.569 26.439 -33.869 1.00 33.05 C ATOM 707 CD GLU A 113 36.406 27.676 -33.601 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.869 28.795 -33.738 1.00 5.24 O ATOM 709 OE2 GLU A 113 37.596 27.524 -33.257 1.00 53.21 O1- ATOM 0 H GLU A 113 33.666 25.687 -36.056 1.00 34.35 H new ATOM 0 HA GLU A 113 33.662 24.658 -33.467 1.00 1.04 H new ATOM 0 HB2 GLU A 113 33.848 27.428 -34.665 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.819 27.225 -32.924 1.00 30.23 H new ATOM 0 HG2 GLU A 113 35.793 25.683 -33.116 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.848 26.018 -34.835 1.00 33.05 H new ATOM 716 N GLN A 114 31.079 26.638 -34.092 1.00 21.15 N ATOM 717 CA GLN A 114 29.732 26.977 -33.648 1.00 15.15 C ATOM 718 C GLN A 114 28.892 25.720 -33.448 1.00 12.24 C ATOM 719 O GLN A 114 28.214 25.569 -32.430 1.00 54.31 O ATOM 720 CB GLN A 114 29.055 27.900 -34.662 1.00 72.44 C ATOM 721 CG GLN A 114 29.518 29.346 -34.573 1.00 22.33 C ATOM 722 CD GLN A 114 28.832 30.242 -35.586 1.00 62.33 C ATOM 723 OE1 GLN A 114 28.213 31.244 -35.227 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.939 29.885 -36.861 1.00 40.41 N ATOM 0 H GLN A 114 31.390 27.144 -34.922 1.00 21.15 H new ATOM 0 HA GLN A 114 29.812 27.495 -32.692 1.00 15.15 H new ATOM 0 HB2 GLN A 114 29.249 27.526 -35.667 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.976 27.863 -34.511 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.325 29.724 -33.569 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.596 29.388 -34.727 1.00 22.33 H new ATOM 0 HE21 GLN A 114 29.462 29.046 -37.114 1.00 40.41 H new ATOM 0 HE22 GLN A 114 28.498 30.449 -37.587 1.00 40.41 H new ATOM 733 N LEU A 115 28.940 24.820 -34.423 1.00 24.11 N ATOM 734 CA LEU A 115 28.183 23.575 -34.354 1.00 72.35 C ATOM 735 C LEU A 115 28.664 22.709 -33.195 1.00 40.11 C ATOM 736 O LEU A 115 27.876 22.004 -32.565 1.00 41.13 O ATOM 737 CB LEU A 115 28.312 22.804 -35.670 1.00 4.21 C ATOM 738 CG LEU A 115 27.044 22.109 -36.167 1.00 72.30 C ATOM 739 CD1 LEU A 115 26.877 22.313 -37.665 1.00 43.40 C ATOM 740 CD2 LEU A 115 27.080 20.626 -35.828 1.00 4.03 C ATOM 0 H LEU A 115 29.495 24.929 -35.272 1.00 24.11 H new ATOM 0 HA LEU A 115 27.135 23.824 -34.186 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.650 23.496 -36.442 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.092 22.052 -35.553 1.00 4.21 H new ATOM 0 HG LEU A 115 26.186 22.554 -35.663 1.00 72.30 H new ATOM 0 HD11 LEU A 115 25.970 21.812 -38.002 1.00 43.40 H new ATOM 0 HD12 LEU A 115 26.804 23.379 -37.881 1.00 43.40 H new ATOM 0 HD13 LEU A 115 27.737 21.895 -38.187 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.170 20.148 -36.189 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.945 20.165 -36.304 1.00 4.03 H new ATOM 0 HD23 LEU A 115 27.151 20.501 -34.747 1.00 4.03 H new ATOM 752 N MET A 116 29.963 22.768 -32.917 1.00 70.42 N ATOM 753 CA MET A 116 30.547 21.991 -31.831 1.00 64.52 C ATOM 754 C MET A 116 30.033 22.475 -30.479 1.00 75.03 C ATOM 755 O MET A 116 29.423 21.714 -29.727 1.00 41.14 O ATOM 756 CB MET A 116 32.075 22.085 -31.872 1.00 43.44 C ATOM 757 CG MET A 116 32.773 20.943 -31.154 1.00 45.44 C ATOM 758 SD MET A 116 34.387 21.415 -30.502 1.00 64.42 S ATOM 759 CE MET A 116 34.388 20.546 -28.937 1.00 64.32 C ATOM 0 H MET A 116 30.630 23.346 -33.429 1.00 70.42 H new ATOM 0 HA MET A 116 30.250 20.950 -31.962 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.402 22.104 -32.912 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.385 23.029 -31.423 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.143 20.594 -30.336 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.894 20.106 -31.842 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.402 20.515 -28.539 1.00 64.32 H new ATOM 0 HE2 MET A 116 33.737 21.064 -28.233 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.025 19.529 -29.085 1.00 64.32 H new ATOM 769 N THR A 117 30.284 23.744 -30.175 1.00 23.24 N ATOM 770 CA THR A 117 29.847 24.329 -28.913 1.00 45.12 C ATOM 771 C THR A 117 28.359 24.093 -28.684 1.00 55.01 C ATOM 772 O THR A 117 27.945 23.700 -27.594 1.00 75.24 O ATOM 773 CB THR A 117 30.128 25.843 -28.868 1.00 45.34 C ATOM 774 OG1 THR A 117 29.539 26.415 -27.696 1.00 40.01 O ATOM 775 CG2 THR A 117 29.579 26.532 -30.108 1.00 22.51 C ATOM 0 H THR A 117 30.788 24.387 -30.786 1.00 23.24 H new ATOM 0 HA THR A 117 30.416 23.838 -28.123 1.00 45.12 H new ATOM 0 HB THR A 117 31.208 25.990 -28.839 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.723 27.377 -27.674 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.789 27.600 -30.054 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.052 26.114 -30.996 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.502 26.377 -30.164 1.00 22.51 H new ATOM 783 N GLU A 118 27.560 24.335 -29.717 1.00 13.24 N ATOM 784 CA GLU A 118 26.116 24.148 -29.626 1.00 64.41 C ATOM 785 C GLU A 118 25.767 22.670 -29.481 1.00 71.35 C ATOM 786 O GLU A 118 24.814 22.312 -28.789 1.00 2.31 O ATOM 787 CB GLU A 118 25.426 24.728 -30.864 1.00 42.20 C ATOM 788 CG GLU A 118 25.019 26.183 -30.708 1.00 62.40 C ATOM 789 CD GLU A 118 23.703 26.497 -31.393 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.773 25.670 -31.300 1.00 73.11 O ATOM 791 OE2 GLU A 118 23.603 27.572 -32.022 1.00 51.30 O1- ATOM 0 H GLU A 118 27.887 24.661 -30.627 1.00 13.24 H new ATOM 0 HA GLU A 118 25.762 24.675 -28.740 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.096 24.636 -31.719 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.540 24.134 -31.088 1.00 42.20 H new ATOM 0 HG2 GLU A 118 24.939 26.422 -29.648 1.00 62.40 H new ATOM 0 HG3 GLU A 118 25.800 26.821 -31.120 1.00 62.40 H new ATOM 798 N PHE A 119 26.544 21.817 -30.139 1.00 72.35 N ATOM 799 CA PHE A 119 26.317 20.377 -30.085 1.00 31.24 C ATOM 800 C PHE A 119 26.546 19.843 -28.673 1.00 51.21 C ATOM 801 O PHE A 119 25.942 18.851 -28.267 1.00 74.52 O ATOM 802 CB PHE A 119 27.240 19.656 -31.070 1.00 12.54 C ATOM 803 CG PHE A 119 27.431 18.200 -30.757 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.546 17.768 -30.057 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.495 17.263 -31.163 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.724 16.429 -29.766 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.668 15.921 -30.875 1.00 3.12 C ATOM 808 CZ PHE A 119 27.784 15.504 -30.177 1.00 63.33 C ATOM 0 H PHE A 119 27.337 22.097 -30.716 1.00 72.35 H new ATOM 0 HA PHE A 119 25.280 20.187 -30.363 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.831 19.752 -32.076 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.212 20.149 -31.072 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.285 18.487 -29.735 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.621 17.584 -31.710 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.597 16.106 -29.218 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.931 15.200 -31.196 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.922 14.457 -29.953 1.00 63.33 H new ATOM 818 N LYS A 120 27.422 20.511 -27.930 1.00 14.44 N ATOM 819 CA LYS A 120 27.731 20.106 -26.563 1.00 23.11 C ATOM 820 C LYS A 120 26.705 20.667 -25.584 1.00 34.44 C ATOM 821 O LYS A 120 26.353 20.020 -24.598 1.00 62.52 O ATOM 822 CB LYS A 120 29.134 20.577 -26.175 1.00 32.24 C ATOM 823 CG LYS A 120 30.198 19.501 -26.311 1.00 15.35 C ATOM 824 CD LYS A 120 31.575 20.104 -26.531 1.00 0.00 C ATOM 825 CE LYS A 120 31.983 20.999 -25.371 1.00 12.11 C ATOM 826 NZ LYS A 120 33.457 20.989 -25.154 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.930 21.335 -28.251 1.00 14.44 H new ATOM 0 HA LYS A 120 27.694 19.018 -26.516 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.408 21.428 -26.799 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.117 20.931 -25.144 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.209 18.884 -25.413 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.949 18.845 -27.145 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.308 19.306 -26.652 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.577 20.681 -27.456 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.651 22.019 -25.565 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.480 20.668 -24.462 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.695 21.611 -24.355 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.770 20.020 -24.943 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.937 21.329 -26.012 1.00 75.10 H new ATOM 840 N LYS A 121 26.229 21.876 -25.863 1.00 31.11 N ATOM 841 CA LYS A 121 25.240 22.524 -25.009 1.00 75.21 C ATOM 842 C LYS A 121 23.862 21.896 -25.197 1.00 2.10 C ATOM 843 O LYS A 121 23.072 21.817 -24.257 1.00 52.44 O ATOM 844 CB LYS A 121 25.176 24.022 -25.315 1.00 1.02 C ATOM 845 CG LYS A 121 24.086 24.395 -26.305 1.00 1.41 C ATOM 846 CD LYS A 121 24.251 25.820 -26.805 1.00 43.52 C ATOM 847 CE LYS A 121 24.003 26.832 -25.697 1.00 20.23 C ATOM 848 NZ LYS A 121 23.420 28.097 -26.221 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.512 22.427 -26.674 1.00 31.11 H new ATOM 0 HA LYS A 121 25.544 22.384 -23.972 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.013 24.567 -24.385 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.139 24.345 -25.709 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.110 23.707 -27.150 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.110 24.285 -25.832 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.257 25.953 -27.202 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.558 26.001 -27.626 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.329 26.401 -24.956 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.941 27.049 -25.187 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.266 28.760 -25.435 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 24.074 28.522 -26.909 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.512 27.894 -26.686 1.00 31.14 H new ATOM 862 N VAL A 122 23.582 21.452 -26.418 1.00 23.10 N ATOM 863 CA VAL A 122 22.301 20.828 -26.729 1.00 13.41 C ATOM 864 C VAL A 122 22.228 19.413 -26.169 1.00 52.23 C ATOM 865 O VAL A 122 21.150 18.824 -26.076 1.00 71.34 O ATOM 866 CB VAL A 122 22.054 20.782 -28.248 1.00 62.53 C ATOM 867 CG1 VAL A 122 21.992 22.188 -28.823 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.134 19.962 -28.939 1.00 1.45 C ATOM 0 H VAL A 122 24.225 21.513 -27.208 1.00 23.10 H new ATOM 0 HA VAL A 122 21.529 21.439 -26.262 1.00 13.41 H new ATOM 0 HB VAL A 122 21.093 20.300 -28.427 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.817 22.134 -29.897 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.179 22.739 -28.350 1.00 0.12 H new ATOM 0 HG13 VAL A 122 22.936 22.700 -28.634 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.944 19.940 -30.012 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.109 20.413 -28.752 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.124 18.945 -28.548 1.00 1.45 H new ATOM 878 N LEU A 123 23.382 18.870 -25.796 1.00 4.14 N ATOM 879 CA LEU A 123 23.450 17.521 -25.244 1.00 53.40 C ATOM 880 C LEU A 123 23.170 17.532 -23.744 1.00 25.13 C ATOM 881 O LEU A 123 22.540 16.617 -23.213 1.00 61.25 O ATOM 882 CB LEU A 123 24.825 16.907 -25.513 1.00 74.02 C ATOM 883 CG LEU A 123 24.977 16.156 -26.836 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.040 16.731 -27.887 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.419 16.209 -27.317 1.00 1.21 C ATOM 0 H LEU A 123 24.283 19.343 -25.866 1.00 4.14 H new ATOM 0 HA LEU A 123 22.687 16.916 -25.733 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.569 17.703 -25.483 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.060 16.221 -24.699 1.00 74.02 H new ATOM 0 HG LEU A 123 24.709 15.112 -26.672 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.162 16.184 -28.822 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.009 16.639 -27.545 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.276 17.783 -28.049 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.508 15.669 -28.260 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.716 17.248 -27.464 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.068 15.748 -26.572 1.00 1.21 H new ATOM 897 N LEU A 124 23.639 18.575 -23.068 1.00 54.13 N ATOM 898 CA LEU A 124 23.438 18.707 -21.630 1.00 75.34 C ATOM 899 C LEU A 124 22.179 19.513 -21.327 1.00 14.20 C ATOM 900 O LEU A 124 21.754 19.611 -20.176 1.00 71.21 O ATOM 901 CB LEU A 124 24.653 19.375 -20.984 1.00 22.35 C ATOM 902 CG LEU A 124 25.815 18.450 -20.621 1.00 2.11 C ATOM 903 CD1 LEU A 124 25.383 17.438 -19.570 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.340 17.741 -21.862 1.00 45.33 C ATOM 0 H LEU A 124 24.161 19.341 -23.493 1.00 54.13 H new ATOM 0 HA LEU A 124 23.316 17.708 -21.213 1.00 75.34 H new ATOM 0 HB2 LEU A 124 25.024 20.142 -21.663 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.324 19.884 -20.078 1.00 22.35 H new ATOM 0 HG LEU A 124 26.620 19.055 -20.204 1.00 2.11 H new ATOM 0 HD11 LEU A 124 26.223 16.788 -19.324 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.055 17.963 -18.673 1.00 33.13 H new ATOM 0 HD13 LEU A 124 24.561 16.837 -19.960 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.167 17.087 -21.585 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.541 17.148 -22.307 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.688 18.480 -22.583 1.00 45.33 H new ATOM 916 N GLU A 125 21.586 20.088 -22.369 1.00 14.41 N ATOM 917 CA GLU A 125 20.375 20.885 -22.215 1.00 41.11 C ATOM 918 C GLU A 125 19.191 20.004 -21.825 1.00 63.43 C ATOM 919 O GLU A 125 18.579 20.175 -20.770 1.00 14.15 O ATOM 920 CB GLU A 125 20.063 21.635 -23.511 1.00 64.13 C ATOM 921 CG GLU A 125 18.578 21.874 -23.733 1.00 62.33 C ATOM 922 CD GLU A 125 18.308 22.900 -24.817 1.00 4.53 C ATOM 923 OE1 GLU A 125 19.254 23.617 -25.204 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.151 22.983 -25.279 1.00 3.44 O1- ATOM 0 H GLU A 125 21.925 20.017 -23.328 1.00 14.41 H new ATOM 0 HA GLU A 125 20.545 21.609 -21.418 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.579 22.595 -23.499 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.461 21.069 -24.353 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.098 20.933 -24.001 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.124 22.208 -22.800 1.00 62.33 H new ATOM 931 N PRO A 126 18.859 19.040 -22.696 1.00 30.12 N ATOM 932 CA PRO A 126 17.746 18.114 -22.465 1.00 22.40 C ATOM 933 C PRO A 126 18.035 17.131 -21.336 1.00 25.33 C ATOM 934 O PRO A 126 19.191 16.883 -20.996 1.00 41.31 O ATOM 935 CB PRO A 126 17.619 17.375 -23.799 1.00 61.24 C ATOM 936 CG PRO A 126 18.974 17.459 -24.411 1.00 12.33 C ATOM 937 CD PRO A 126 19.544 18.780 -23.972 1.00 0.12 C ATOM 0 HA PRO A 126 16.838 18.635 -22.162 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.316 16.339 -23.650 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.867 17.838 -24.438 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.604 16.633 -24.081 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.916 17.401 -25.498 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.625 18.729 -23.844 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.346 19.565 -24.702 1.00 0.12 H new ATOM 945 N GLY A 127 16.976 16.572 -20.758 1.00 43.42 N ATOM 946 CA GLY A 127 17.137 15.621 -19.674 1.00 51.41 C ATOM 947 C GLY A 127 17.239 14.192 -20.166 1.00 23.25 C ATOM 948 O GLY A 127 17.713 13.311 -19.447 1.00 21.10 O ATOM 0 H GLY A 127 16.009 16.761 -21.022 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.033 15.871 -19.106 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.292 15.707 -18.991 1.00 51.41 H new ATOM 952 N SER A 128 16.792 13.958 -21.396 1.00 64.24 N ATOM 953 CA SER A 128 16.829 12.623 -21.982 1.00 14.15 C ATOM 954 C SER A 128 18.203 12.330 -22.577 1.00 43.42 C ATOM 955 O SER A 128 18.317 11.901 -23.726 1.00 75.43 O ATOM 956 CB SER A 128 15.754 12.487 -23.062 1.00 12.14 C ATOM 957 OG SER A 128 14.624 13.286 -22.760 1.00 41.51 O ATOM 0 H SER A 128 16.400 14.676 -22.006 1.00 64.24 H new ATOM 0 HA SER A 128 16.632 11.900 -21.191 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.165 12.782 -24.027 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.452 11.443 -23.150 1.00 12.14 H new ATOM 0 HG SER A 128 13.952 13.183 -23.466 1.00 41.51 H new ATOM 963 N LYS A 129 19.245 12.563 -21.787 1.00 13.44 N ATOM 964 CA LYS A 129 20.613 12.323 -22.232 1.00 70.44 C ATOM 965 C LYS A 129 20.777 10.894 -22.740 1.00 11.20 C ATOM 966 O LYS A 129 21.724 10.588 -23.463 1.00 23.24 O ATOM 967 CB LYS A 129 21.596 12.586 -21.089 1.00 55.21 C ATOM 968 CG LYS A 129 21.958 14.051 -20.923 1.00 13.43 C ATOM 969 CD LYS A 129 20.972 14.769 -20.015 1.00 2.32 C ATOM 970 CE LYS A 129 21.096 14.299 -18.575 1.00 34.02 C ATOM 971 NZ LYS A 129 21.019 15.432 -17.612 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.168 12.918 -20.834 1.00 13.44 H new ATOM 0 HA LYS A 129 20.828 13.008 -23.052 1.00 70.44 H new ATOM 0 HB2 LYS A 129 21.164 12.220 -20.158 1.00 55.21 H new ATOM 0 HB3 LYS A 129 22.506 12.013 -21.265 1.00 55.21 H new ATOM 0 HG2 LYS A 129 22.963 14.134 -20.509 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.975 14.536 -21.899 1.00 13.43 H new ATOM 0 HD2 LYS A 129 21.147 15.844 -20.064 1.00 2.32 H new ATOM 0 HD3 LYS A 129 19.956 14.595 -20.369 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.303 13.583 -18.357 1.00 34.02 H new ATOM 0 HE3 LYS A 129 22.043 13.775 -18.444 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 21.108 15.069 -16.641 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.791 16.103 -17.803 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 20.105 15.916 -17.718 1.00 60.14 H new ATOM 985 N ASN A 130 19.848 10.024 -22.357 1.00 50.25 N ATOM 986 CA ASN A 130 19.890 8.628 -22.775 1.00 20.54 C ATOM 987 C ASN A 130 19.221 8.447 -24.134 1.00 24.34 C ATOM 988 O ASN A 130 18.759 7.356 -24.471 1.00 52.01 O ATOM 989 CB ASN A 130 19.203 7.742 -21.734 1.00 13.43 C ATOM 990 CG ASN A 130 19.574 6.278 -21.885 1.00 62.11 C ATOM 991 OD1 ASN A 130 20.494 5.934 -22.626 1.00 43.45 O ATOM 992 ND2 ASN A 130 18.857 5.411 -21.180 1.00 30.42 N ATOM 0 H ASN A 130 19.057 10.261 -21.758 1.00 50.25 H new ATOM 0 HA ASN A 130 20.935 8.332 -22.862 1.00 20.54 H new ATOM 0 HB2 ASN A 130 19.476 8.082 -20.735 1.00 13.43 H new ATOM 0 HB3 ASN A 130 18.122 7.851 -21.824 1.00 13.43 H new ATOM 0 HD21 ASN A 130 19.060 4.413 -21.240 1.00 30.42 H new ATOM 0 HD22 ASN A 130 18.103 5.743 -20.578 1.00 30.42 H new ATOM 999 N LEU A 131 19.174 9.522 -24.913 1.00 22.31 N ATOM 1000 CA LEU A 131 18.563 9.482 -26.237 1.00 15.12 C ATOM 1001 C LEU A 131 19.564 9.008 -27.284 1.00 65.34 C ATOM 1002 O LEU A 131 20.771 8.995 -27.044 1.00 42.41 O ATOM 1003 CB LEU A 131 18.029 10.865 -26.615 1.00 11.43 C ATOM 1004 CG LEU A 131 19.049 12.004 -26.607 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.715 12.133 -27.969 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.383 13.314 -26.211 1.00 50.13 C ATOM 0 H LEU A 131 19.552 10.432 -24.651 1.00 22.31 H new ATOM 0 HA LEU A 131 17.734 8.775 -26.207 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.591 10.803 -27.611 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.223 11.121 -25.928 1.00 11.43 H new ATOM 0 HG LEU A 131 19.818 11.773 -25.869 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.438 12.949 -27.945 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.226 11.202 -28.214 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.959 12.341 -28.726 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.124 14.113 -26.211 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.594 13.551 -26.924 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.954 13.217 -25.214 1.00 50.13 H new ATOM 1018 N SER A 132 19.055 8.620 -28.449 1.00 12.44 N ATOM 1019 CA SER A 132 19.904 8.143 -29.534 1.00 34.35 C ATOM 1020 C SER A 132 20.868 9.234 -29.990 1.00 0.35 C ATOM 1021 O SER A 132 20.499 10.407 -30.076 1.00 24.34 O ATOM 1022 CB SER A 132 19.048 7.677 -30.714 1.00 71.11 C ATOM 1023 OG SER A 132 18.455 6.418 -30.448 1.00 74.41 O ATOM 0 H SER A 132 18.058 8.627 -28.666 1.00 12.44 H new ATOM 0 HA SER A 132 20.486 7.300 -29.162 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.270 8.413 -30.916 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.664 7.610 -31.610 1.00 71.11 H new ATOM 0 HG SER A 132 17.912 6.143 -31.216 1.00 74.41 H new ATOM 1029 N ILE A 133 22.103 8.840 -30.281 1.00 2.43 N ATOM 1030 CA ILE A 133 23.120 9.785 -30.729 1.00 72.04 C ATOM 1031 C ILE A 133 22.696 10.477 -32.021 1.00 24.01 C ATOM 1032 O ILE A 133 23.207 11.544 -32.361 1.00 53.43 O ATOM 1033 CB ILE A 133 24.475 9.088 -30.953 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.516 10.097 -31.444 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.325 7.947 -31.948 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.931 9.753 -31.033 1.00 63.31 C ATOM 0 H ILE A 133 22.424 7.874 -30.215 1.00 2.43 H new ATOM 0 HA ILE A 133 23.230 10.529 -29.940 1.00 72.04 H new ATOM 0 HB ILE A 133 24.816 8.674 -30.004 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.467 10.158 -32.531 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.264 11.084 -31.058 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.291 7.464 -32.096 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.611 7.219 -31.562 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.966 8.339 -32.900 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.615 10.511 -31.415 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.996 9.720 -29.945 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.202 8.780 -31.442 1.00 63.31 H new ATOM 1048 N TYR A 134 21.759 9.862 -32.733 1.00 51.34 N ATOM 1049 CA TYR A 134 21.268 10.419 -33.988 1.00 14.53 C ATOM 1050 C TYR A 134 20.477 11.701 -33.743 1.00 72.13 C ATOM 1051 O TYR A 134 20.528 12.635 -34.542 1.00 64.14 O ATOM 1052 CB TYR A 134 20.391 9.397 -34.715 1.00 10.23 C ATOM 1053 CG TYR A 134 19.960 9.841 -36.094 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.853 10.465 -36.955 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.659 9.634 -36.537 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.463 10.874 -38.216 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.260 10.037 -37.797 1.00 22.22 C ATOM 1058 CZ TYR A 134 19.166 10.657 -38.633 1.00 2.11 C ATOM 1059 OH TYR A 134 18.774 11.060 -39.888 1.00 3.43 O ATOM 0 H TYR A 134 21.325 8.979 -32.464 1.00 51.34 H new ATOM 0 HA TYR A 134 22.129 10.658 -34.611 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.937 8.457 -34.799 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.504 9.198 -34.113 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.870 10.634 -36.633 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.947 9.150 -35.885 1.00 14.43 H new ATOM 0 HE1 TYR A 134 21.170 11.361 -38.872 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.245 9.868 -38.126 1.00 22.22 H new ATOM 0 HH TYR A 134 17.831 10.832 -40.025 1.00 3.43 H new ATOM 1069 N GLN A 135 19.748 11.735 -32.633 1.00 15.24 N ATOM 1070 CA GLN A 135 18.946 12.900 -32.282 1.00 3.44 C ATOM 1071 C GLN A 135 19.832 14.048 -31.808 1.00 63.55 C ATOM 1072 O GLN A 135 19.596 15.210 -32.144 1.00 15.31 O ATOM 1073 CB GLN A 135 17.934 12.541 -31.192 1.00 23.05 C ATOM 1074 CG GLN A 135 17.317 11.163 -31.367 1.00 5.20 C ATOM 1075 CD GLN A 135 16.944 10.868 -32.807 1.00 34.34 C ATOM 1076 OE1 GLN A 135 17.256 9.662 -33.265 1.00 23.14 O flip ATOM 1077 NE2 GLN A 135 16.381 11.716 -33.501 1.00 23.23 N flip ATOM 0 H GLN A 135 19.696 10.969 -31.961 1.00 15.24 H new ATOM 0 HA GLN A 135 18.410 13.221 -33.175 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.426 12.589 -30.221 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.140 13.288 -31.185 1.00 23.05 H new ATOM 0 HG2 GLN A 135 18.020 10.407 -31.016 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.427 11.086 -30.742 1.00 5.20 H new ATOM 0 HE21 GLN A 135 16.159 12.631 -33.109 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.136 11.503 -34.468 1.00 23.23 H new ATOM 1086 N THR A 136 20.854 13.716 -31.026 1.00 4.35 N ATOM 1087 CA THR A 136 21.775 14.718 -30.506 1.00 41.33 C ATOM 1088 C THR A 136 22.430 15.504 -31.637 1.00 13.53 C ATOM 1089 O THR A 136 22.388 16.735 -31.658 1.00 52.25 O ATOM 1090 CB THR A 136 22.875 14.075 -29.639 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.263 12.815 -30.196 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.391 13.877 -28.210 1.00 12.34 C ATOM 0 H THR A 136 21.065 12.760 -30.739 1.00 4.35 H new ATOM 0 HA THR A 136 21.186 15.397 -29.889 1.00 41.33 H new ATOM 0 HB THR A 136 23.734 14.745 -29.625 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.982 12.771 -31.134 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.184 13.422 -27.617 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.124 14.842 -27.779 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.517 13.225 -28.209 1.00 12.34 H new ATOM 1100 N LEU A 137 23.035 14.785 -32.576 1.00 40.20 N ATOM 1101 CA LEU A 137 23.699 15.415 -33.712 1.00 24.30 C ATOM 1102 C LEU A 137 22.685 16.092 -34.628 1.00 25.13 C ATOM 1103 O LEU A 137 22.822 17.269 -34.962 1.00 73.04 O ATOM 1104 CB LEU A 137 24.501 14.377 -34.499 1.00 71.51 C ATOM 1105 CG LEU A 137 25.666 14.918 -35.329 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.672 15.630 -34.439 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.338 13.792 -36.102 1.00 41.53 C ATOM 0 H LEU A 137 23.080 13.766 -32.573 1.00 40.20 H new ATOM 0 HA LEU A 137 24.379 16.176 -33.328 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.892 13.641 -33.797 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.819 13.850 -35.167 1.00 71.51 H new ATOM 0 HG LEU A 137 25.272 15.639 -36.045 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.493 16.008 -35.048 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.184 16.462 -33.932 1.00 42.21 H new ATOM 0 HD13 LEU A 137 27.061 14.931 -33.698 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.165 14.195 -36.687 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.718 13.047 -35.403 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.614 13.327 -36.770 1.00 41.53 H new ATOM 1119 N LEU A 138 21.666 15.341 -35.031 1.00 10.14 N ATOM 1120 CA LEU A 138 20.626 15.868 -35.908 1.00 31.24 C ATOM 1121 C LEU A 138 20.052 17.167 -35.352 1.00 11.02 C ATOM 1122 O LEU A 138 20.018 18.188 -36.039 1.00 71.33 O ATOM 1123 CB LEU A 138 19.509 14.839 -36.085 1.00 41.12 C ATOM 1124 CG LEU A 138 18.330 15.269 -36.959 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.730 14.070 -37.675 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.274 15.975 -36.120 1.00 22.45 C ATOM 0 H LEU A 138 21.538 14.365 -34.764 1.00 10.14 H new ATOM 0 HA LEU A 138 21.076 16.076 -36.879 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.941 13.934 -36.513 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.127 14.575 -35.099 1.00 41.12 H new ATOM 0 HG LEU A 138 18.696 15.968 -37.711 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.893 14.396 -38.292 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.488 13.607 -38.307 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.379 13.346 -36.940 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.442 16.274 -36.758 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.912 15.298 -35.346 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.710 16.859 -35.655 1.00 22.45 H new ATOM 1138 N ALA A 139 19.603 17.122 -34.102 1.00 11.23 N ATOM 1139 CA ALA A 139 19.034 18.297 -33.451 1.00 25.20 C ATOM 1140 C ALA A 139 20.038 19.444 -33.416 1.00 1.41 C ATOM 1141 O ALA A 139 19.732 20.560 -33.834 1.00 21.21 O ATOM 1142 CB ALA A 139 18.578 17.949 -32.042 1.00 44.04 C ATOM 0 H ALA A 139 19.622 16.285 -33.520 1.00 11.23 H new ATOM 0 HA ALA A 139 18.170 18.622 -34.031 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.155 18.834 -31.567 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.821 17.166 -32.087 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.430 17.597 -31.460 1.00 44.04 H new ATOM 1148 N ALA A 140 21.236 19.163 -32.916 1.00 70.34 N ATOM 1149 CA ALA A 140 22.284 20.171 -32.828 1.00 73.32 C ATOM 1150 C ALA A 140 22.481 20.876 -34.166 1.00 31.53 C ATOM 1151 O ALA A 140 22.577 22.103 -34.225 1.00 61.43 O ATOM 1152 CB ALA A 140 23.588 19.539 -32.365 1.00 20.30 C ATOM 0 H ALA A 140 21.505 18.244 -32.565 1.00 70.34 H new ATOM 0 HA ALA A 140 21.975 20.917 -32.096 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.362 20.304 -32.304 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.445 19.088 -31.383 1.00 20.30 H new ATOM 0 HB3 ALA A 140 23.893 18.771 -33.076 1.00 20.30 H new ATOM 1158 N HIS A 141 22.542 20.092 -35.238 1.00 1.44 N ATOM 1159 CA HIS A 141 22.729 20.642 -36.577 1.00 35.23 C ATOM 1160 C HIS A 141 21.574 21.569 -36.949 1.00 23.11 C ATOM 1161 O HIS A 141 21.770 22.765 -37.158 1.00 71.12 O ATOM 1162 CB HIS A 141 22.844 19.514 -37.603 1.00 54.14 C ATOM 1163 CG HIS A 141 23.759 19.834 -38.744 1.00 62.40 C ATOM 1164 ND1 HIS A 141 23.317 20.362 -39.938 1.00 11.41 N ATOM 1165 CD2 HIS A 141 25.100 19.700 -38.867 1.00 55.51 C ATOM 1166 CE1 HIS A 141 24.346 20.537 -40.747 1.00 43.34 C ATOM 1167 NE2 HIS A 141 25.440 20.143 -40.122 1.00 1.53 N ATOM 0 H HIS A 141 22.465 19.075 -35.206 1.00 1.44 H new ATOM 0 HA HIS A 141 23.652 21.221 -36.580 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.201 18.614 -37.103 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.852 19.288 -37.995 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.777 19.316 -38.118 1.00 55.51 H new ATOM 0 HE1 HIS A 141 24.300 20.935 -41.750 1.00 43.34 H new ATOM 0 HE2 HIS A 141 26.384 20.164 -40.508 1.00 1.53 H new ATOM 1176 N GLU A 142 20.373 21.005 -37.032 1.00 21.22 N ATOM 1177 CA GLU A 142 19.189 21.782 -37.381 1.00 60.01 C ATOM 1178 C GLU A 142 19.066 23.016 -36.491 1.00 12.12 C ATOM 1179 O GLU A 142 18.646 24.081 -36.945 1.00 65.25 O ATOM 1180 CB GLU A 142 17.931 20.920 -37.254 1.00 0.33 C ATOM 1181 CG GLU A 142 17.965 19.663 -38.106 1.00 13.53 C ATOM 1182 CD GLU A 142 16.600 19.287 -38.647 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.653 19.175 -37.840 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.477 19.105 -39.876 1.00 0.23 O1- ATOM 0 H GLU A 142 20.194 20.015 -36.863 1.00 21.22 H new ATOM 0 HA GLU A 142 19.293 22.111 -38.415 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.799 20.637 -36.210 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.063 21.516 -37.535 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.653 19.811 -38.938 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.356 18.837 -37.512 1.00 13.53 H new ATOM 1191 N ARG A 143 19.433 22.864 -35.224 1.00 11.21 N ATOM 1192 CA ARG A 143 19.363 23.964 -34.271 1.00 60.32 C ATOM 1193 C ARG A 143 20.464 24.986 -34.537 1.00 61.53 C ATOM 1194 O ARG A 143 20.292 26.180 -34.285 1.00 4.22 O ATOM 1195 CB ARG A 143 19.478 23.437 -32.839 1.00 31.13 C ATOM 1196 CG ARG A 143 18.209 22.769 -32.333 1.00 61.33 C ATOM 1197 CD ARG A 143 18.209 22.652 -30.817 1.00 34.34 C ATOM 1198 NE ARG A 143 17.915 21.293 -30.372 1.00 43.43 N ATOM 1199 CZ ARG A 143 17.973 20.907 -29.102 1.00 42.24 C ATOM 1200 NH1 ARG A 143 18.312 21.771 -28.157 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.692 19.651 -28.776 1.00 72.21 N ATOM 0 H ARG A 143 19.782 21.989 -34.833 1.00 11.21 H new ATOM 0 HA ARG A 143 18.397 24.455 -34.394 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.300 22.723 -32.788 1.00 31.13 H new ATOM 0 HB3 ARG A 143 19.733 24.264 -32.176 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.341 23.344 -32.655 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.117 21.777 -32.776 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.181 22.958 -30.430 1.00 34.34 H new ATOM 0 HD3 ARG A 143 17.471 23.337 -30.401 1.00 34.34 H new ATOM 0 HE ARG A 143 17.651 20.602 -31.074 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.530 22.737 -28.403 1.00 31.10 H new ATOM 0 HH12 ARG A 143 18.355 21.471 -27.183 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.432 18.982 -29.501 1.00 72.21 H new ATOM 0 HH22 ARG A 143 17.737 19.355 -27.801 1.00 72.21 H new ATOM 1215 N LEU A 144 21.594 24.511 -35.047 1.00 51.52 N ATOM 1216 CA LEU A 144 22.725 25.382 -35.347 1.00 34.24 C ATOM 1217 C LEU A 144 22.384 26.345 -36.482 1.00 61.12 C ATOM 1218 O LEU A 144 22.623 27.547 -36.379 1.00 51.43 O ATOM 1219 CB LEU A 144 23.951 24.549 -35.723 1.00 61.43 C ATOM 1220 CG LEU A 144 25.307 25.234 -35.551 1.00 62.04 C ATOM 1221 CD1 LEU A 144 25.472 26.352 -36.570 1.00 42.11 C ATOM 1222 CD2 LEU A 144 25.457 25.774 -34.137 1.00 54.33 C ATOM 0 H LEU A 144 21.752 23.526 -35.262 1.00 51.52 H new ATOM 0 HA LEU A 144 22.950 25.965 -34.454 1.00 34.24 H new ATOM 0 HB2 LEU A 144 23.947 23.640 -35.121 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.851 24.242 -36.764 1.00 61.43 H new ATOM 0 HG LEU A 144 26.090 24.495 -35.721 1.00 62.04 H new ATOM 0 HD11 LEU A 144 26.443 26.829 -36.433 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.409 25.939 -37.577 1.00 42.11 H new ATOM 0 HD13 LEU A 144 24.682 27.090 -36.431 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.428 26.258 -34.033 1.00 54.33 H new ATOM 0 HD22 LEU A 144 24.667 26.499 -33.939 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.383 24.953 -33.424 1.00 54.33 H new ATOM 1234 N GLN A 145 21.822 25.806 -37.558 1.00 51.00 N ATOM 1235 CA GLN A 145 21.447 26.619 -38.710 1.00 12.25 C ATOM 1236 C GLN A 145 19.958 26.943 -38.685 1.00 12.51 C ATOM 1237 O GLN A 145 19.315 27.039 -39.731 1.00 14.40 O ATOM 1238 CB GLN A 145 21.801 25.892 -40.009 1.00 54.30 C ATOM 1239 CG GLN A 145 23.210 25.322 -40.023 1.00 44.02 C ATOM 1240 CD GLN A 145 23.232 23.815 -39.858 1.00 45.43 C ATOM 1241 OE1 GLN A 145 24.104 23.327 -38.984 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 22.473 23.097 -40.509 1.00 40.43 N flip ATOM 0 H GLN A 145 21.616 24.812 -37.657 1.00 51.00 H new ATOM 0 HA GLN A 145 22.005 27.554 -38.661 1.00 12.25 H new ATOM 0 HB2 GLN A 145 21.089 25.082 -40.168 1.00 54.30 H new ATOM 0 HB3 GLN A 145 21.689 26.583 -40.844 1.00 54.30 H new ATOM 0 HG2 GLN A 145 23.696 25.588 -40.962 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.791 25.780 -39.222 1.00 44.02 H new ATOM 0 HE21 GLN A 145 21.818 23.514 -41.170 1.00 40.43 H new ATOM 0 HE22 GLN A 145 22.499 22.085 -40.387 1.00 40.43 H new ATOM 1251 N ALA A 146 19.413 27.112 -37.484 1.00 25.41 N ATOM 1252 CA ALA A 146 18.000 27.428 -37.324 1.00 61.13 C ATOM 1253 C ALA A 146 17.761 28.932 -37.405 1.00 43.10 C ATOM 1254 O ALA A 146 18.503 29.721 -36.818 1.00 53.12 O ATOM 1255 CB ALA A 146 17.484 26.880 -36.001 1.00 73.03 C ATOM 0 H ALA A 146 19.930 27.035 -36.608 1.00 25.41 H new ATOM 0 HA ALA A 146 17.452 26.955 -38.139 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.427 27.123 -35.894 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.611 25.798 -35.981 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.044 27.326 -35.179 1.00 73.03 H new ATOM 1639 N ASP B 543 41.449 10.964 -35.715 1.00 11.14 N ATOM 1640 CA ASP B 543 40.226 10.442 -35.116 1.00 52.52 C ATOM 1641 C ASP B 543 39.587 11.477 -34.195 1.00 13.13 C ATOM 1642 O ASP B 543 38.365 11.525 -34.051 1.00 20.02 O ATOM 1643 CB ASP B 543 40.519 9.160 -34.337 1.00 25.25 C ATOM 1644 CG ASP B 543 41.169 8.095 -35.200 1.00 14.33 C ATOM 1645 OD1 ASP B 543 41.186 8.262 -36.437 1.00 4.03 O ATOM 1646 OD2 ASP B 543 41.662 7.096 -34.636 1.00 51.20 O1- ATOM 0 HA ASP B 543 39.526 10.216 -35.920 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.172 9.391 -33.496 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.590 8.770 -33.922 1.00 25.25 H new ATOM 1651 N ASP B 544 40.422 12.303 -33.573 1.00 15.42 N ATOM 1652 CA ASP B 544 39.939 13.336 -32.665 1.00 51.14 C ATOM 1653 C ASP B 544 38.803 14.132 -33.301 1.00 4.23 C ATOM 1654 O ASP B 544 37.900 14.607 -32.612 1.00 2.42 O ATOM 1655 CB ASP B 544 41.081 14.277 -32.277 1.00 73.54 C ATOM 1656 CG ASP B 544 40.637 15.358 -31.310 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.360 16.367 -31.176 1.00 50.03 O ATOM 1658 OD2 ASP B 544 39.567 15.194 -30.686 1.00 63.43 O1- ATOM 0 H ASP B 544 41.436 12.277 -33.681 1.00 15.42 H new ATOM 0 HA ASP B 544 39.559 12.847 -31.768 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.887 13.699 -31.826 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.486 14.742 -33.176 1.00 73.54 H new ATOM 1663 N LYS B 545 38.854 14.273 -34.621 1.00 75.25 N ATOM 1664 CA LYS B 545 37.830 15.011 -35.353 1.00 24.24 C ATOM 1665 C LYS B 545 36.434 14.544 -34.953 1.00 33.21 C ATOM 1666 O LYS B 545 35.583 15.351 -34.575 1.00 50.14 O ATOM 1667 CB LYS B 545 38.025 14.835 -36.860 1.00 64.44 C ATOM 1668 CG LYS B 545 38.988 15.840 -37.469 1.00 54.23 C ATOM 1669 CD LYS B 545 40.398 15.657 -36.932 1.00 42.41 C ATOM 1670 CE LYS B 545 41.398 16.519 -37.686 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.315 17.949 -37.281 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.594 13.886 -35.207 1.00 75.25 H new ATOM 0 HA LYS B 545 37.928 16.067 -35.101 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.392 13.828 -37.055 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.058 14.924 -37.356 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.993 15.729 -38.553 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.644 16.852 -37.254 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.421 15.913 -35.873 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.686 14.609 -37.013 1.00 42.41 H new ATOM 0 HE2 LYS B 545 42.407 16.148 -37.504 1.00 62.41 H new ATOM 0 HE3 LYS B 545 41.216 16.434 -38.757 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.013 18.503 -37.818 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 40.360 18.311 -37.478 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 41.514 18.034 -36.264 1.00 40.23 H new ATOM 1685 N LEU B 546 36.205 13.239 -35.036 1.00 71.42 N ATOM 1686 CA LEU B 546 34.912 12.664 -34.681 1.00 33.24 C ATOM 1687 C LEU B 546 34.878 12.265 -33.209 1.00 5.43 C ATOM 1688 O LEU B 546 33.825 12.285 -32.575 1.00 43.24 O ATOM 1689 CB LEU B 546 34.614 11.446 -35.557 1.00 40.40 C ATOM 1690 CG LEU B 546 35.604 10.286 -35.453 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.201 9.339 -34.333 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.696 9.541 -36.776 1.00 60.44 C ATOM 0 H LEU B 546 36.898 12.558 -35.346 1.00 71.42 H new ATOM 0 HA LEU B 546 34.148 13.422 -34.851 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.622 11.074 -35.302 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.575 11.772 -36.596 1.00 40.40 H new ATOM 0 HG LEU B 546 36.588 10.694 -35.220 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.917 8.520 -34.274 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.189 9.879 -33.386 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.208 8.939 -34.535 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.406 8.719 -36.682 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.715 9.145 -37.040 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.033 10.224 -37.556 1.00 60.44 H new ATOM 1704 N GLN B 547 36.041 11.906 -32.672 1.00 42.22 N ATOM 1705 CA GLN B 547 36.144 11.504 -31.274 1.00 10.14 C ATOM 1706 C GLN B 547 35.482 12.532 -30.362 1.00 64.45 C ATOM 1707 O GLN B 547 34.702 12.180 -29.477 1.00 15.25 O ATOM 1708 CB GLN B 547 37.611 11.325 -30.880 1.00 1.31 C ATOM 1709 CG GLN B 547 37.874 10.068 -30.068 1.00 14.25 C ATOM 1710 CD GLN B 547 39.235 10.080 -29.399 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.268 10.102 -30.068 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.241 10.063 -28.071 1.00 30.11 N ATOM 0 H GLN B 547 36.923 11.886 -33.183 1.00 42.22 H new ATOM 0 HA GLN B 547 35.625 10.553 -31.156 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.220 11.298 -31.783 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.932 12.193 -30.304 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.100 9.963 -29.307 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.801 9.197 -30.719 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.360 10.045 -27.557 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.127 10.068 -27.565 1.00 30.11 H new ATOM 1721 N LYS B 548 35.798 13.804 -30.584 1.00 13.42 N ATOM 1722 CA LYS B 548 35.233 14.883 -29.784 1.00 2.43 C ATOM 1723 C LYS B 548 33.716 14.751 -29.684 1.00 11.31 C ATOM 1724 O LYS B 548 33.152 14.786 -28.591 1.00 25.34 O ATOM 1725 CB LYS B 548 35.599 16.240 -30.390 1.00 44.51 C ATOM 1726 CG LYS B 548 35.296 16.344 -31.875 1.00 74.23 C ATOM 1727 CD LYS B 548 36.205 17.351 -32.560 1.00 50.13 C ATOM 1728 CE LYS B 548 36.049 18.740 -31.961 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.890 19.746 -32.666 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.443 14.112 -31.312 1.00 13.42 H new ATOM 0 HA LYS B 548 35.652 14.815 -28.780 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.056 17.023 -29.861 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.661 16.425 -30.230 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.418 15.366 -32.341 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.256 16.637 -32.015 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.242 17.028 -32.468 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.975 17.385 -33.625 1.00 50.13 H new ATOM 0 HE2 LYS B 548 35.003 19.042 -32.012 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.322 18.713 -30.906 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.755 20.679 -32.228 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.891 19.472 -32.596 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.612 19.790 -33.667 1.00 32.25 H new ATOM 1743 N TRP B 549 33.064 14.599 -30.830 1.00 35.00 N ATOM 1744 CA TRP B 549 31.613 14.461 -30.872 1.00 23.03 C ATOM 1745 C TRP B 549 31.159 13.248 -30.067 1.00 60.44 C ATOM 1746 O TRP B 549 30.420 13.380 -29.091 1.00 13.42 O ATOM 1747 CB TRP B 549 31.132 14.336 -32.319 1.00 1.00 C ATOM 1748 CG TRP B 549 31.523 15.502 -33.176 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.708 15.676 -33.832 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.726 16.655 -33.469 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.696 16.869 -34.515 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.492 17.487 -34.309 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.441 17.064 -33.105 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.012 18.704 -34.788 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.967 18.272 -33.581 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.751 19.079 -34.417 1.00 4.25 C ATOM 0 H TRP B 549 33.517 14.568 -31.743 1.00 35.00 H new ATOM 0 HA TRP B 549 31.175 15.355 -30.428 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.539 13.423 -32.752 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.047 14.236 -32.327 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.533 14.979 -33.817 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.460 17.234 -35.083 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.829 16.448 -32.463 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.615 19.329 -35.430 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.976 18.600 -33.304 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.351 20.016 -34.775 1.00 4.25 H new ATOM 1767 N VAL B 550 31.606 12.066 -30.481 1.00 65.43 N ATOM 1768 CA VAL B 550 31.247 10.831 -29.797 1.00 41.32 C ATOM 1769 C VAL B 550 31.526 10.928 -28.301 1.00 70.33 C ATOM 1770 O VAL B 550 30.630 10.743 -27.478 1.00 22.45 O ATOM 1771 CB VAL B 550 32.014 9.626 -30.374 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.603 8.343 -29.666 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.781 9.516 -31.873 1.00 22.45 C ATOM 0 H VAL B 550 32.218 11.939 -31.287 1.00 65.43 H new ATOM 0 HA VAL B 550 30.179 10.682 -29.955 1.00 41.32 H new ATOM 0 HB VAL B 550 33.080 9.780 -30.205 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.155 7.502 -30.087 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.825 8.427 -28.602 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.534 8.179 -29.801 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.330 8.660 -32.265 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.717 9.384 -32.067 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.129 10.425 -32.363 1.00 22.45 H new ATOM 1783 N ARG B 551 32.777 11.221 -27.957 1.00 22.31 N ATOM 1784 CA ARG B 551 33.175 11.343 -26.560 1.00 13.54 C ATOM 1785 C ARG B 551 32.155 12.161 -25.773 1.00 30.45 C ATOM 1786 O ARG B 551 31.791 11.805 -24.651 1.00 43.25 O ATOM 1787 CB ARG B 551 34.555 11.995 -26.457 1.00 20.34 C ATOM 1788 CG ARG B 551 35.321 11.604 -25.203 1.00 75.53 C ATOM 1789 CD ARG B 551 35.093 12.601 -24.078 1.00 51.12 C ATOM 1790 NE ARG B 551 35.894 12.287 -22.898 1.00 55.05 N ATOM 1791 CZ ARG B 551 35.591 11.319 -22.040 1.00 23.44 C ATOM 1792 NH1 ARG B 551 34.510 10.575 -22.230 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 36.371 11.095 -20.990 1.00 20.42 N ATOM 0 H ARG B 551 33.531 11.378 -28.626 1.00 22.31 H new ATOM 0 HA ARG B 551 33.220 10.341 -26.132 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.143 11.721 -27.332 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.438 13.079 -26.478 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.009 10.611 -24.879 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.386 11.546 -25.429 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.339 13.604 -24.427 1.00 51.12 H new ATOM 0 HD3 ARG B 551 34.037 12.608 -23.808 1.00 51.12 H new ATOM 0 HE ARG B 551 36.732 12.841 -22.723 1.00 55.05 H new ATOM 0 HH11 ARG B 551 33.909 10.745 -23.036 1.00 74.33 H new ATOM 0 HH12 ARG B 551 34.280 9.832 -21.570 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.203 11.666 -20.842 1.00 20.42 H new ATOM 0 HH22 ARG B 551 36.138 10.352 -20.331 1.00 20.42 H new ATOM 1807 N VAL B 552 31.698 13.258 -26.368 1.00 73.21 N ATOM 1808 CA VAL B 552 30.720 14.127 -25.723 1.00 53.54 C ATOM 1809 C VAL B 552 29.375 13.424 -25.575 1.00 31.11 C ATOM 1810 O VAL B 552 28.708 13.546 -24.547 1.00 31.43 O ATOM 1811 CB VAL B 552 30.520 15.432 -26.515 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.389 16.253 -25.914 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.812 16.235 -26.552 1.00 14.55 C ATOM 0 H VAL B 552 31.989 13.566 -27.296 1.00 73.21 H new ATOM 0 HA VAL B 552 31.113 14.367 -24.735 1.00 53.54 H new ATOM 0 HB VAL B 552 30.247 15.178 -27.539 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.262 17.172 -26.487 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.465 15.676 -25.944 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.629 16.500 -24.880 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.653 17.154 -27.116 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.117 16.481 -25.535 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.593 15.646 -27.032 1.00 14.55 H new ATOM 1823 N TYR B 553 28.982 12.687 -26.608 1.00 3.04 N ATOM 1824 CA TYR B 553 27.715 11.966 -26.594 1.00 51.43 C ATOM 1825 C TYR B 553 27.689 10.931 -25.474 1.00 23.41 C ATOM 1826 O TYR B 553 26.706 10.816 -24.740 1.00 65.22 O ATOM 1827 CB TYR B 553 27.479 11.281 -27.942 1.00 50.50 C ATOM 1828 CG TYR B 553 27.051 9.835 -27.820 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.723 9.502 -27.584 1.00 41.54 C ATOM 1830 CD2 TYR B 553 27.975 8.805 -27.939 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.327 8.183 -27.472 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.588 7.484 -27.829 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.264 7.177 -27.596 1.00 52.22 C ATOM 1834 OH TYR B 553 25.875 5.862 -27.484 1.00 2.33 O ATOM 0 H TYR B 553 29.523 12.573 -27.465 1.00 3.04 H new ATOM 0 HA TYR B 553 26.918 12.688 -26.416 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.716 11.832 -28.491 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.395 11.332 -28.531 1.00 50.50 H new ATOM 0 HD1 TYR B 553 24.988 10.287 -27.486 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.013 9.041 -28.121 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.291 7.941 -27.289 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.319 6.695 -27.925 1.00 34.42 H new ATOM 0 HH TYR B 553 24.949 5.767 -27.791 1.00 2.33 H new ATOM 1844 N LEU B 554 28.777 10.179 -25.347 1.00 55.44 N ATOM 1845 CA LEU B 554 28.882 9.152 -24.316 1.00 42.23 C ATOM 1846 C LEU B 554 29.176 9.776 -22.955 1.00 53.42 C ATOM 1847 O LEU B 554 28.815 9.222 -21.917 1.00 74.44 O ATOM 1848 CB LEU B 554 29.979 8.149 -24.677 1.00 44.44 C ATOM 1849 CG LEU B 554 31.344 8.743 -25.027 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.261 8.723 -23.815 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.974 7.986 -26.187 1.00 32.42 C ATOM 0 H LEU B 554 29.599 10.261 -25.945 1.00 55.44 H new ATOM 0 HA LEU B 554 27.926 8.631 -24.258 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.107 7.464 -23.839 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.636 7.555 -25.524 1.00 44.44 H new ATOM 0 HG LEU B 554 31.200 9.780 -25.331 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.228 9.149 -24.083 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.815 9.310 -23.012 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.398 7.695 -23.480 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.945 8.423 -26.422 1.00 32.42 H new ATOM 0 HD22 LEU B 554 32.104 6.940 -25.911 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.325 8.053 -27.060 1.00 32.42 H new ATOM 1863 N ASP B 555 29.831 10.931 -22.969 1.00 73.25 N ATOM 1864 CA ASP B 555 30.170 11.632 -21.736 1.00 31.31 C ATOM 1865 C ASP B 555 28.943 12.323 -21.148 1.00 23.23 C ATOM 1866 O ASP B 555 28.810 12.442 -19.930 1.00 34.14 O ATOM 1867 CB ASP B 555 31.273 12.660 -21.995 1.00 72.13 C ATOM 1868 CG ASP B 555 31.700 13.382 -20.733 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.136 12.703 -19.780 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.596 14.626 -20.696 1.00 21.01 O1- ATOM 0 H ASP B 555 30.138 11.402 -23.820 1.00 73.25 H new ATOM 0 HA ASP B 555 30.530 10.896 -21.017 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.136 12.159 -22.433 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.922 13.389 -22.726 1.00 72.13 H new ATOM 1875 N ARG B 556 28.050 12.776 -22.021 1.00 10.54 N ATOM 1876 CA ARG B 556 26.835 13.456 -21.589 1.00 54.44 C ATOM 1877 C ARG B 556 25.693 12.463 -21.402 1.00 72.41 C ATOM 1878 O ARG B 556 24.830 12.646 -20.545 1.00 3.24 O ATOM 1879 CB ARG B 556 26.434 14.525 -22.607 1.00 35.13 C ATOM 1880 CG ARG B 556 26.005 13.957 -23.950 1.00 22.30 C ATOM 1881 CD ARG B 556 24.502 13.732 -24.005 1.00 71.10 C ATOM 1882 NE ARG B 556 24.154 12.545 -24.781 1.00 44.32 N ATOM 1883 CZ ARG B 556 22.966 12.359 -25.347 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.019 13.278 -25.225 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.727 11.252 -26.038 1.00 21.52 N ATOM 0 H ARG B 556 28.145 12.684 -23.032 1.00 10.54 H new ATOM 0 HA ARG B 556 27.038 13.934 -20.631 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.617 15.118 -22.196 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.274 15.202 -22.760 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.301 14.640 -24.746 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.522 13.014 -24.130 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.114 13.629 -22.992 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.021 14.606 -24.444 1.00 71.10 H new ATOM 0 HE ARG B 556 24.861 11.819 -24.895 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.201 14.131 -24.696 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.108 13.133 -25.660 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.455 10.544 -26.135 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.815 11.109 -26.473 1.00 21.52 H new ATOM 1899 N GLY B 557 25.694 11.408 -22.211 1.00 54.40 N ATOM 1900 CA GLY B 557 24.653 10.401 -22.120 1.00 51.20 C ATOM 1901 C GLY B 557 24.592 9.752 -20.751 1.00 73.35 C ATOM 1902 O GLY B 557 23.700 10.050 -19.956 1.00 64.24 O ATOM 0 H GLY B 557 26.398 11.233 -22.928 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.689 10.858 -22.345 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.827 9.634 -22.875 1.00 51.20 H new ATOM 1906 N GLN B 558 25.541 8.864 -20.476 1.00 30.44 N ATOM 1907 CA GLN B 558 25.590 8.171 -19.194 1.00 71.33 C ATOM 1908 C GLN B 558 26.978 8.275 -18.571 1.00 54.22 C ATOM 1909 O GLN B 558 27.188 9.032 -17.624 1.00 65.12 O ATOM 1910 CB GLN B 558 25.206 6.700 -19.371 1.00 32.20 C ATOM 1911 CG GLN B 558 25.454 6.171 -20.774 1.00 10.50 C ATOM 1912 CD GLN B 558 24.273 6.395 -21.698 1.00 44.43 C ATOM 1913 OE1 GLN B 558 24.379 7.103 -22.700 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.139 5.790 -21.366 1.00 2.10 N ATOM 0 H GLN B 558 26.286 8.607 -21.123 1.00 30.44 H new ATOM 0 HA GLN B 558 24.875 8.648 -18.524 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.771 6.098 -18.659 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.151 6.577 -19.126 1.00 32.20 H new ATOM 0 HG2 GLN B 558 26.335 6.658 -21.192 1.00 10.50 H new ATOM 0 HG3 GLN B 558 25.674 5.105 -20.723 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.096 5.212 -20.527 1.00 2.10 H new ATOM 0 HE22 GLN B 558 22.311 5.903 -21.950 1.00 2.10 H new ATOM 1923 N GLU B 559 27.922 7.510 -19.109 1.00 54.14 N ATOM 1924 CA GLU B 559 29.290 7.516 -18.604 1.00 64.14 C ATOM 1925 C GLU B 559 30.274 7.095 -19.692 1.00 45.44 C ATOM 1926 O GLU B 559 29.893 6.898 -20.845 1.00 54.24 O ATOM 1927 CB GLU B 559 29.416 6.582 -17.398 1.00 42.30 C ATOM 1928 CG GLU B 559 28.972 5.158 -17.683 1.00 15.30 C ATOM 1929 CD GLU B 559 30.118 4.166 -17.628 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.122 3.218 -18.441 1.00 24.20 O ATOM 1931 OE2 GLU B 559 31.012 4.339 -16.773 1.00 61.43 O1- ATOM 0 H GLU B 559 27.765 6.878 -19.894 1.00 54.14 H new ATOM 0 HA GLU B 559 29.531 8.533 -18.294 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.454 6.570 -17.065 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.822 6.981 -16.576 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.210 4.868 -16.959 1.00 15.30 H new ATOM 0 HG3 GLU B 559 28.508 5.117 -18.668 1.00 15.30 H new ATOM 1938 N ALA B 560 31.541 6.961 -19.315 1.00 3.04 N ATOM 1939 CA ALA B 560 32.580 6.564 -20.257 1.00 50.04 C ATOM 1940 C ALA B 560 32.280 5.196 -20.860 1.00 31.25 C ATOM 1941 O ALA B 560 31.531 4.405 -20.286 1.00 10.24 O ATOM 1942 CB ALA B 560 33.938 6.555 -19.573 1.00 41.05 C ATOM 0 H ALA B 560 31.873 7.122 -18.364 1.00 3.04 H new ATOM 0 HA ALA B 560 32.599 7.293 -21.067 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.704 6.257 -20.289 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.162 7.553 -19.196 1.00 41.05 H new ATOM 0 HB3 ALA B 560 33.923 5.849 -18.743 1.00 41.05 H new ATOM 1948 N ILE B 561 32.868 4.923 -22.021 1.00 73.03 N ATOM 1949 CA ILE B 561 32.662 3.650 -22.700 1.00 2.23 C ATOM 1950 C ILE B 561 33.858 3.296 -23.578 1.00 30.44 C ATOM 1951 O ILE B 561 34.404 4.151 -24.277 1.00 42.35 O ATOM 1952 CB ILE B 561 31.391 3.674 -23.569 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.352 4.947 -24.416 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.150 3.574 -22.695 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.247 4.950 -25.451 1.00 63.22 C ATOM 0 H ILE B 561 33.490 5.566 -22.510 1.00 73.03 H new ATOM 0 HA ILE B 561 32.547 2.893 -21.924 1.00 2.23 H new ATOM 0 HB ILE B 561 31.409 2.814 -24.239 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.226 5.807 -23.759 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.311 5.068 -24.920 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.260 3.592 -23.324 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.177 2.642 -22.131 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.123 4.416 -22.004 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.279 5.882 -26.015 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.384 4.110 -26.132 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.282 4.860 -24.953 1.00 63.22 H new