USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 ASN : amide:sc=-0.00588 K(o=-2.1,f=-5.7!) USER MOD Set 2.2: A 130 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-8.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 54 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-4.2!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.516 F(o=-3!,f=-0.52) USER MOD Single : A 72 THR OG1 : rot -69:sc= 0.878 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 86 THR OG1 : rot 63:sc= 1.35 USER MOD Single : A 89 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.056) USER MOD Single : A 93 TYR OH : rot 74:sc= 1.21 USER MOD Single : A 96 THR OG1 : rot 5:sc= 1.25 USER MOD Single : A 99 MET CE :methyl 165:sc= -1.06 (180deg=-1.4) USER MOD Single : A 104 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.8!) USER MOD Single : A 132 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -1.25 F(o=-1.9,f=-1.2) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 144 MET CE :methyl -146:sc= 0 (180deg=-0.923) USER MOD Single : A 146 TYR OH : rot 30:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.787 5.215 -3.686 1.00 14.44 N ATOM 240 CA ALA A 18 -6.792 4.521 -4.442 1.00 63.20 C ATOM 241 C ALA A 18 -6.374 5.451 -5.546 1.00 73.04 C ATOM 242 O ALA A 18 -7.227 5.909 -6.327 1.00 70.14 O ATOM 243 CB ALA A 18 -7.362 3.238 -5.020 1.00 70.30 C ATOM 0 HA ALA A 18 -5.944 4.244 -3.815 1.00 63.20 H new ATOM 0 HB1 ALA A 18 -6.591 2.723 -5.592 1.00 70.30 H new ATOM 0 HB2 ALA A 18 -7.704 2.594 -4.210 1.00 70.30 H new ATOM 0 HB3 ALA A 18 -8.202 3.475 -5.674 1.00 70.30 H new ATOM 249 N GLY A 19 -5.118 5.746 -5.621 1.00 71.03 N ATOM 250 CA GLY A 19 -4.653 6.670 -6.583 1.00 14.01 C ATOM 251 C GLY A 19 -3.774 6.052 -7.620 1.00 4.13 C ATOM 252 O GLY A 19 -4.223 5.225 -8.411 1.00 50.21 O ATOM 0 H GLY A 19 -4.395 5.353 -5.018 1.00 71.03 H new ATOM 0 HA2 GLY A 19 -5.508 7.136 -7.072 1.00 14.01 H new ATOM 0 HA3 GLY A 19 -4.104 7.464 -6.078 1.00 14.01 H new ATOM 256 N ASP A 20 -2.519 6.392 -7.583 1.00 75.13 N ATOM 257 CA ASP A 20 -1.595 6.020 -8.624 1.00 51.22 C ATOM 258 C ASP A 20 -0.839 4.759 -8.281 1.00 34.32 C ATOM 259 O ASP A 20 -0.193 4.667 -7.243 1.00 11.12 O ATOM 260 CB ASP A 20 -0.608 7.169 -8.923 1.00 54.31 C ATOM 261 CG ASP A 20 -1.280 8.420 -9.444 1.00 73.23 C ATOM 262 OD1 ASP A 20 -1.482 8.533 -10.674 1.00 23.14 O ATOM 263 OD2 ASP A 20 -1.638 9.326 -8.638 1.00 53.32 O ATOM 0 H ASP A 20 -2.102 6.937 -6.829 1.00 75.13 H new ATOM 0 HA ASP A 20 -2.185 5.822 -9.519 1.00 51.22 H new ATOM 0 HB2 ASP A 20 -0.060 7.413 -8.013 1.00 54.31 H new ATOM 0 HB3 ASP A 20 0.124 6.828 -9.655 1.00 54.31 H new ATOM 268 N ASP A 21 -0.949 3.783 -9.155 1.00 33.45 N ATOM 269 CA ASP A 21 -0.229 2.510 -9.029 1.00 13.44 C ATOM 270 C ASP A 21 1.281 2.711 -9.050 1.00 64.13 C ATOM 271 O ASP A 21 1.812 3.447 -9.895 1.00 10.22 O ATOM 272 CB ASP A 21 -0.659 1.553 -10.147 1.00 42.52 C ATOM 273 CG ASP A 21 0.259 0.354 -10.336 1.00 71.21 C ATOM 274 OD1 ASP A 21 0.059 -0.687 -9.699 1.00 32.45 O ATOM 275 OD2 ASP A 21 1.175 0.436 -11.174 1.00 31.33 O ATOM 0 H ASP A 21 -1.542 3.839 -9.983 1.00 33.45 H new ATOM 0 HA ASP A 21 -0.485 2.073 -8.064 1.00 13.44 H new ATOM 0 HB2 ASP A 21 -1.666 1.194 -9.934 1.00 42.52 H new ATOM 0 HB3 ASP A 21 -0.710 2.108 -11.084 1.00 42.52 H new ATOM 280 N VAL A 22 1.955 2.091 -8.101 1.00 12.31 N ATOM 281 CA VAL A 22 3.411 2.160 -7.992 1.00 0.30 C ATOM 282 C VAL A 22 4.011 0.765 -8.278 1.00 44.34 C ATOM 283 O VAL A 22 5.228 0.585 -8.391 1.00 34.21 O ATOM 284 CB VAL A 22 3.829 2.648 -6.560 1.00 43.33 C ATOM 285 CG1 VAL A 22 5.335 2.819 -6.435 1.00 72.11 C ATOM 286 CG2 VAL A 22 3.129 3.952 -6.207 1.00 54.21 C ATOM 0 H VAL A 22 1.513 1.522 -7.379 1.00 12.31 H new ATOM 0 HA VAL A 22 3.793 2.874 -8.722 1.00 0.30 H new ATOM 0 HB VAL A 22 3.519 1.874 -5.857 1.00 43.33 H new ATOM 0 HG11 VAL A 22 5.580 3.158 -5.428 1.00 72.11 H new ATOM 0 HG12 VAL A 22 5.827 1.865 -6.627 1.00 72.11 H new ATOM 0 HG13 VAL A 22 5.679 3.557 -7.160 1.00 72.11 H new ATOM 0 HG21 VAL A 22 3.434 4.271 -5.210 1.00 54.21 H new ATOM 0 HG22 VAL A 22 3.401 4.719 -6.932 1.00 54.21 H new ATOM 0 HG23 VAL A 22 2.050 3.802 -6.225 1.00 54.21 H new ATOM 296 N LEU A 23 3.138 -0.193 -8.455 1.00 72.32 N ATOM 297 CA LEU A 23 3.525 -1.577 -8.648 1.00 14.41 C ATOM 298 C LEU A 23 4.082 -1.871 -10.017 1.00 20.41 C ATOM 299 O LEU A 23 3.943 -1.101 -10.971 1.00 32.21 O ATOM 300 CB LEU A 23 2.345 -2.509 -8.419 1.00 72.22 C ATOM 301 CG LEU A 23 2.047 -2.944 -7.001 1.00 71.21 C ATOM 302 CD1 LEU A 23 0.723 -3.665 -6.992 1.00 15.13 C ATOM 303 CD2 LEU A 23 3.127 -3.895 -6.536 1.00 43.04 C ATOM 0 H LEU A 23 2.130 -0.039 -8.470 1.00 72.32 H new ATOM 0 HA LEU A 23 4.314 -1.749 -7.916 1.00 14.41 H new ATOM 0 HB2 LEU A 23 1.453 -2.021 -8.813 1.00 72.22 H new ATOM 0 HB3 LEU A 23 2.508 -3.406 -9.016 1.00 72.22 H new ATOM 0 HG LEU A 23 2.012 -2.077 -6.341 1.00 71.21 H new ATOM 0 HD11 LEU A 23 0.491 -3.987 -5.977 1.00 15.13 H new ATOM 0 HD12 LEU A 23 -0.059 -2.994 -7.348 1.00 15.13 H new ATOM 0 HD13 LEU A 23 0.779 -4.536 -7.645 1.00 15.13 H new ATOM 0 HD21 LEU A 23 2.918 -4.212 -5.514 1.00 43.04 H new ATOM 0 HD22 LEU A 23 3.150 -4.767 -7.189 1.00 43.04 H new ATOM 0 HD23 LEU A 23 4.093 -3.392 -6.569 1.00 43.04 H new ATOM 315 N ASP A 24 4.698 -3.003 -10.091 1.00 72.13 N ATOM 316 CA ASP A 24 5.160 -3.563 -11.316 1.00 63.54 C ATOM 317 C ASP A 24 4.046 -4.495 -11.778 1.00 64.33 C ATOM 318 O ASP A 24 3.496 -5.230 -10.948 1.00 43.12 O ATOM 319 CB ASP A 24 6.445 -4.351 -11.058 1.00 1.00 C ATOM 320 CG ASP A 24 7.008 -5.019 -12.287 1.00 45.34 C ATOM 321 OD1 ASP A 24 6.473 -6.055 -12.715 1.00 61.12 O ATOM 322 OD2 ASP A 24 8.033 -4.539 -12.817 1.00 42.41 O ATOM 0 H ASP A 24 4.900 -3.581 -9.275 1.00 72.13 H new ATOM 0 HA ASP A 24 5.382 -2.805 -12.067 1.00 63.54 H new ATOM 0 HB2 ASP A 24 7.196 -3.677 -10.646 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.248 -5.110 -10.301 1.00 1.00 H new ATOM 327 N PRO A 25 3.663 -4.459 -13.065 1.00 3.41 N ATOM 328 CA PRO A 25 2.536 -5.267 -13.608 1.00 0.51 C ATOM 329 C PRO A 25 2.651 -6.785 -13.349 1.00 52.24 C ATOM 330 O PRO A 25 1.641 -7.514 -13.379 1.00 52.22 O ATOM 331 CB PRO A 25 2.601 -4.991 -15.112 1.00 0.03 C ATOM 332 CG PRO A 25 3.269 -3.668 -15.221 1.00 51.01 C ATOM 333 CD PRO A 25 4.278 -3.623 -14.116 1.00 52.52 C ATOM 0 HA PRO A 25 1.599 -4.988 -13.125 1.00 0.51 H new ATOM 0 HB2 PRO A 25 3.165 -5.764 -15.633 1.00 0.03 H new ATOM 0 HB3 PRO A 25 1.605 -4.970 -15.555 1.00 0.03 H new ATOM 0 HG2 PRO A 25 3.749 -3.552 -16.193 1.00 51.01 H new ATOM 0 HG3 PRO A 25 2.547 -2.857 -15.123 1.00 51.01 H new ATOM 0 HD2 PRO A 25 5.242 -4.020 -14.434 1.00 52.52 H new ATOM 0 HD3 PRO A 25 4.452 -2.604 -13.770 1.00 52.52 H new ATOM 341 N ASP A 26 3.852 -7.263 -13.103 1.00 21.03 N ATOM 342 CA ASP A 26 4.058 -8.687 -12.896 1.00 11.51 C ATOM 343 C ASP A 26 3.872 -9.091 -11.434 1.00 54.43 C ATOM 344 O ASP A 26 3.518 -10.240 -11.140 1.00 20.23 O ATOM 345 CB ASP A 26 5.433 -9.103 -13.386 1.00 14.25 C ATOM 346 CG ASP A 26 5.696 -10.582 -13.239 1.00 32.31 C ATOM 347 OD1 ASP A 26 5.206 -11.374 -14.085 1.00 12.14 O ATOM 348 OD2 ASP A 26 6.432 -10.975 -12.307 1.00 42.42 O ATOM 0 H ASP A 26 4.697 -6.695 -13.041 1.00 21.03 H new ATOM 0 HA ASP A 26 3.298 -9.209 -13.477 1.00 11.51 H new ATOM 0 HB2 ASP A 26 5.537 -8.825 -14.435 1.00 14.25 H new ATOM 0 HB3 ASP A 26 6.191 -8.549 -12.833 1.00 14.25 H new ATOM 353 N GLU A 27 4.043 -8.149 -10.526 1.00 23.34 N ATOM 354 CA GLU A 27 3.967 -8.453 -9.105 1.00 1.25 C ATOM 355 C GLU A 27 2.569 -8.879 -8.697 1.00 65.53 C ATOM 356 O GLU A 27 1.586 -8.319 -9.180 1.00 44.31 O ATOM 357 CB GLU A 27 4.461 -7.291 -8.262 1.00 45.24 C ATOM 358 CG GLU A 27 5.932 -7.025 -8.447 1.00 54.54 C ATOM 359 CD GLU A 27 6.782 -8.222 -8.106 1.00 31.54 C ATOM 360 OE1 GLU A 27 7.086 -8.437 -6.929 1.00 3.45 O ATOM 361 OE2 GLU A 27 7.181 -8.960 -9.012 1.00 21.45 O ATOM 0 H GLU A 27 4.235 -7.171 -10.743 1.00 23.34 H new ATOM 0 HA GLU A 27 4.630 -9.298 -8.919 1.00 1.25 H new ATOM 0 HB2 GLU A 27 3.898 -6.394 -8.521 1.00 45.24 H new ATOM 0 HB3 GLU A 27 4.263 -7.500 -7.211 1.00 45.24 H new ATOM 0 HG2 GLU A 27 6.118 -6.734 -9.481 1.00 54.54 H new ATOM 0 HG3 GLU A 27 6.227 -6.183 -7.821 1.00 54.54 H new ATOM 368 N PRO A 28 2.469 -9.899 -7.826 1.00 42.24 N ATOM 369 CA PRO A 28 1.191 -10.470 -7.399 1.00 71.13 C ATOM 370 C PRO A 28 0.240 -9.431 -6.795 1.00 12.33 C ATOM 371 O PRO A 28 0.603 -8.663 -5.876 1.00 43.21 O ATOM 372 CB PRO A 28 1.590 -11.519 -6.351 1.00 61.41 C ATOM 373 CG PRO A 28 2.980 -11.165 -5.954 1.00 3.11 C ATOM 374 CD PRO A 28 3.607 -10.573 -7.170 1.00 12.34 C ATOM 0 HA PRO A 28 0.640 -10.884 -8.243 1.00 71.13 H new ATOM 0 HB2 PRO A 28 0.917 -11.495 -5.494 1.00 61.41 H new ATOM 0 HB3 PRO A 28 1.543 -12.526 -6.765 1.00 61.41 H new ATOM 0 HG2 PRO A 28 2.982 -10.455 -5.127 1.00 3.11 H new ATOM 0 HG3 PRO A 28 3.528 -12.046 -5.620 1.00 3.11 H new ATOM 0 HD2 PRO A 28 4.401 -9.871 -6.915 1.00 12.34 H new ATOM 0 HD3 PRO A 28 4.049 -11.336 -7.810 1.00 12.34 H new ATOM 382 N THR A 29 -0.961 -9.396 -7.301 1.00 22.21 N ATOM 383 CA THR A 29 -1.937 -8.471 -6.837 1.00 35.04 C ATOM 384 C THR A 29 -3.185 -9.178 -6.353 1.00 71.42 C ATOM 385 O THR A 29 -3.338 -10.396 -6.499 1.00 72.12 O ATOM 386 CB THR A 29 -2.318 -7.429 -7.923 1.00 50.34 C ATOM 387 OG1 THR A 29 -2.677 -8.086 -9.155 1.00 0.40 O ATOM 388 CG2 THR A 29 -1.187 -6.450 -8.167 1.00 73.32 C ATOM 0 H THR A 29 -1.284 -10.012 -8.047 1.00 22.21 H new ATOM 0 HA THR A 29 -1.482 -7.942 -6.000 1.00 35.04 H new ATOM 0 HB THR A 29 -3.180 -6.871 -7.556 1.00 50.34 H new ATOM 0 HG1 THR A 29 -2.916 -7.414 -9.827 1.00 0.40 H new ATOM 0 HG21 THR A 29 -1.485 -5.733 -8.933 1.00 73.32 H new ATOM 0 HG22 THR A 29 -0.959 -5.920 -7.242 1.00 73.32 H new ATOM 0 HG23 THR A 29 -0.303 -6.992 -8.502 1.00 73.32 H new ATOM 396 N TYR A 30 -4.011 -8.413 -5.742 1.00 12.54 N ATOM 397 CA TYR A 30 -5.292 -8.773 -5.264 1.00 30.42 C ATOM 398 C TYR A 30 -6.264 -7.746 -5.742 1.00 65.30 C ATOM 399 O TYR A 30 -5.877 -6.639 -6.110 1.00 71.30 O ATOM 400 CB TYR A 30 -5.363 -8.841 -3.743 1.00 13.51 C ATOM 401 CG TYR A 30 -4.707 -10.037 -3.128 1.00 15.34 C ATOM 402 CD1 TYR A 30 -5.035 -11.318 -3.547 1.00 42.13 C ATOM 403 CD2 TYR A 30 -3.793 -9.895 -2.109 1.00 15.21 C ATOM 404 CE1 TYR A 30 -4.464 -12.418 -2.969 1.00 64.52 C ATOM 405 CE2 TYR A 30 -3.213 -10.993 -1.524 1.00 64.33 C ATOM 406 CZ TYR A 30 -3.551 -12.253 -1.956 1.00 10.03 C ATOM 407 OH TYR A 30 -2.967 -13.351 -1.367 1.00 20.53 O ATOM 0 H TYR A 30 -3.789 -7.437 -5.547 1.00 12.54 H new ATOM 0 HA TYR A 30 -5.523 -9.769 -5.641 1.00 30.42 H new ATOM 0 HB2 TYR A 30 -4.902 -7.942 -3.333 1.00 13.51 H new ATOM 0 HB3 TYR A 30 -6.411 -8.827 -3.443 1.00 13.51 H new ATOM 0 HD1 TYR A 30 -5.753 -11.449 -4.343 1.00 42.13 H new ATOM 0 HD2 TYR A 30 -3.528 -8.906 -1.765 1.00 15.21 H new ATOM 0 HE1 TYR A 30 -4.729 -13.409 -3.306 1.00 64.52 H new ATOM 0 HE2 TYR A 30 -2.494 -10.867 -0.728 1.00 64.33 H new ATOM 0 HH TYR A 30 -2.345 -13.056 -0.670 1.00 20.53 H new ATOM 417 N ASP A 31 -7.484 -8.101 -5.725 1.00 24.23 N ATOM 418 CA ASP A 31 -8.567 -7.251 -6.113 1.00 30.13 C ATOM 419 C ASP A 31 -9.590 -7.470 -5.023 1.00 32.13 C ATOM 420 O ASP A 31 -9.477 -8.470 -4.302 1.00 14.34 O ATOM 421 CB ASP A 31 -9.112 -7.715 -7.481 1.00 12.01 C ATOM 422 CG ASP A 31 -10.170 -6.805 -8.084 1.00 52.12 C ATOM 423 OD1 ASP A 31 -10.606 -5.862 -7.441 1.00 73.15 O ATOM 424 OD2 ASP A 31 -10.574 -7.026 -9.240 1.00 1.14 O ATOM 0 H ASP A 31 -7.785 -9.030 -5.430 1.00 24.23 H new ATOM 0 HA ASP A 31 -8.292 -6.202 -6.221 1.00 30.13 H new ATOM 0 HB2 ASP A 31 -8.280 -7.795 -8.180 1.00 12.01 H new ATOM 0 HB3 ASP A 31 -9.532 -8.714 -7.370 1.00 12.01 H new ATOM 429 N LEU A 32 -10.540 -6.583 -4.879 1.00 72.41 N ATOM 430 CA LEU A 32 -11.502 -6.623 -3.769 1.00 34.15 C ATOM 431 C LEU A 32 -12.215 -7.997 -3.644 1.00 23.22 C ATOM 432 O LEU A 32 -12.205 -8.590 -2.555 1.00 33.43 O ATOM 433 CB LEU A 32 -12.502 -5.450 -3.838 1.00 63.53 C ATOM 434 CG LEU A 32 -11.885 -4.039 -3.909 1.00 2.45 C ATOM 435 CD1 LEU A 32 -12.968 -2.978 -3.904 1.00 41.42 C ATOM 436 CD2 LEU A 32 -10.905 -3.801 -2.772 1.00 1.10 C ATOM 0 H LEU A 32 -10.683 -5.804 -5.521 1.00 72.41 H new ATOM 0 HA LEU A 32 -10.926 -6.499 -2.852 1.00 34.15 H new ATOM 0 HB2 LEU A 32 -13.138 -5.591 -4.712 1.00 63.53 H new ATOM 0 HB3 LEU A 32 -13.149 -5.498 -2.962 1.00 63.53 H new ATOM 0 HG LEU A 32 -11.333 -3.970 -4.846 1.00 2.45 H new ATOM 0 HD11 LEU A 32 -12.510 -1.990 -3.955 1.00 41.42 H new ATOM 0 HD12 LEU A 32 -13.620 -3.120 -4.766 1.00 41.42 H new ATOM 0 HD13 LEU A 32 -13.553 -3.060 -2.988 1.00 41.42 H new ATOM 0 HD21 LEU A 32 -10.490 -2.797 -2.854 1.00 1.10 H new ATOM 0 HD22 LEU A 32 -11.423 -3.903 -1.818 1.00 1.10 H new ATOM 0 HD23 LEU A 32 -10.099 -4.533 -2.827 1.00 1.10 H new ATOM 448 N PRO A 33 -12.816 -8.553 -4.750 1.00 50.14 N ATOM 449 CA PRO A 33 -13.407 -9.900 -4.726 1.00 42.24 C ATOM 450 C PRO A 33 -12.376 -10.983 -4.337 1.00 0.21 C ATOM 451 O PRO A 33 -12.702 -11.961 -3.651 1.00 12.25 O ATOM 452 CB PRO A 33 -13.876 -10.118 -6.183 1.00 54.12 C ATOM 453 CG PRO A 33 -13.195 -9.064 -6.983 1.00 55.51 C ATOM 454 CD PRO A 33 -13.039 -7.903 -6.065 1.00 41.30 C ATOM 0 HA PRO A 33 -14.206 -9.977 -3.988 1.00 42.24 H new ATOM 0 HB2 PRO A 33 -13.608 -11.114 -6.537 1.00 54.12 H new ATOM 0 HB3 PRO A 33 -14.960 -10.033 -6.263 1.00 54.12 H new ATOM 0 HG2 PRO A 33 -12.227 -9.411 -7.345 1.00 55.51 H new ATOM 0 HG3 PRO A 33 -13.785 -8.794 -7.859 1.00 55.51 H new ATOM 0 HD2 PRO A 33 -12.199 -7.271 -6.352 1.00 41.30 H new ATOM 0 HD3 PRO A 33 -13.926 -7.270 -6.058 1.00 41.30 H new ATOM 462 N ARG A 34 -11.133 -10.800 -4.769 1.00 62.33 N ATOM 463 CA ARG A 34 -10.076 -11.753 -4.499 1.00 53.24 C ATOM 464 C ARG A 34 -9.685 -11.723 -3.017 1.00 73.43 C ATOM 465 O ARG A 34 -9.413 -12.757 -2.427 1.00 40.04 O ATOM 466 CB ARG A 34 -8.859 -11.464 -5.367 1.00 23.11 C ATOM 467 CG ARG A 34 -7.908 -12.637 -5.518 1.00 23.31 C ATOM 468 CD ARG A 34 -8.616 -13.784 -6.216 1.00 41.41 C ATOM 469 NE ARG A 34 -7.721 -14.886 -6.567 1.00 21.10 N ATOM 470 CZ ARG A 34 -8.004 -15.831 -7.481 1.00 2.24 C ATOM 471 NH1 ARG A 34 -9.130 -15.765 -8.194 1.00 20.22 N ATOM 472 NH2 ARG A 34 -7.148 -16.823 -7.705 1.00 4.22 N ATOM 0 H ARG A 34 -10.836 -9.990 -5.313 1.00 62.33 H new ATOM 0 HA ARG A 34 -10.449 -12.748 -4.740 1.00 53.24 H new ATOM 0 HB2 ARG A 34 -9.198 -11.156 -6.356 1.00 23.11 H new ATOM 0 HB3 ARG A 34 -8.314 -10.622 -4.940 1.00 23.11 H new ATOM 0 HG2 ARG A 34 -7.031 -12.335 -6.091 1.00 23.31 H new ATOM 0 HG3 ARG A 34 -7.553 -12.958 -4.539 1.00 23.31 H new ATOM 0 HD2 ARG A 34 -9.409 -14.160 -5.569 1.00 41.41 H new ATOM 0 HD3 ARG A 34 -9.094 -13.410 -7.122 1.00 41.41 H new ATOM 0 HE ARG A 34 -6.823 -14.942 -6.087 1.00 21.10 H new ATOM 0 HH11 ARG A 34 -9.782 -14.994 -8.047 1.00 20.22 H new ATOM 0 HH12 ARG A 34 -9.339 -16.485 -8.886 1.00 20.22 H new ATOM 0 HH21 ARG A 34 -6.273 -16.869 -7.183 1.00 4.22 H new ATOM 0 HH22 ARG A 34 -7.366 -17.538 -8.399 1.00 4.22 H new ATOM 486 N VAL A 35 -9.661 -10.535 -2.428 1.00 13.13 N ATOM 487 CA VAL A 35 -9.330 -10.400 -1.006 1.00 53.21 C ATOM 488 C VAL A 35 -10.438 -11.009 -0.165 1.00 10.20 C ATOM 489 O VAL A 35 -10.179 -11.651 0.867 1.00 13.10 O ATOM 490 CB VAL A 35 -9.073 -8.926 -0.576 1.00 3.40 C ATOM 491 CG1 VAL A 35 -8.709 -8.831 0.904 1.00 22.25 C ATOM 492 CG2 VAL A 35 -7.978 -8.305 -1.409 1.00 34.30 C ATOM 0 H VAL A 35 -9.864 -9.655 -2.903 1.00 13.13 H new ATOM 0 HA VAL A 35 -8.396 -10.936 -0.841 1.00 53.21 H new ATOM 0 HB VAL A 35 -10.000 -8.377 -0.740 1.00 3.40 H new ATOM 0 HG11 VAL A 35 -8.536 -7.788 1.170 1.00 22.25 H new ATOM 0 HG12 VAL A 35 -9.526 -9.228 1.506 1.00 22.25 H new ATOM 0 HG13 VAL A 35 -7.804 -9.408 1.094 1.00 22.25 H new ATOM 0 HG21 VAL A 35 -7.817 -7.275 -1.089 1.00 34.30 H new ATOM 0 HG22 VAL A 35 -7.057 -8.873 -1.280 1.00 34.30 H new ATOM 0 HG23 VAL A 35 -8.268 -8.318 -2.460 1.00 34.30 H new ATOM 502 N ALA A 36 -11.664 -10.821 -0.624 1.00 64.44 N ATOM 503 CA ALA A 36 -12.827 -11.403 0.008 1.00 42.44 C ATOM 504 C ALA A 36 -12.675 -12.928 0.065 1.00 41.24 C ATOM 505 O ALA A 36 -12.947 -13.562 1.092 1.00 2.13 O ATOM 506 CB ALA A 36 -14.082 -11.016 -0.765 1.00 53.31 C ATOM 0 H ALA A 36 -11.877 -10.258 -1.448 1.00 64.44 H new ATOM 0 HA ALA A 36 -12.917 -11.024 1.026 1.00 42.44 H new ATOM 0 HB1 ALA A 36 -14.956 -11.457 -0.285 1.00 53.31 H new ATOM 0 HB2 ALA A 36 -14.183 -9.931 -0.775 1.00 53.31 H new ATOM 0 HB3 ALA A 36 -14.007 -11.383 -1.789 1.00 53.31 H new ATOM 512 N GLU A 37 -12.183 -13.486 -1.028 1.00 34.11 N ATOM 513 CA GLU A 37 -11.946 -14.916 -1.161 1.00 34.04 C ATOM 514 C GLU A 37 -10.839 -15.350 -0.187 1.00 2.32 C ATOM 515 O GLU A 37 -10.980 -16.320 0.556 1.00 45.24 O ATOM 516 CB GLU A 37 -11.444 -15.179 -2.579 1.00 42.25 C ATOM 517 CG GLU A 37 -11.462 -16.639 -3.005 1.00 23.31 C ATOM 518 CD GLU A 37 -12.855 -17.163 -3.220 1.00 30.34 C ATOM 519 OE1 GLU A 37 -13.562 -17.472 -2.240 1.00 30.13 O ATOM 520 OE2 GLU A 37 -13.283 -17.246 -4.382 1.00 25.21 O ATOM 0 H GLU A 37 -11.933 -12.952 -1.860 1.00 34.11 H new ATOM 0 HA GLU A 37 -12.865 -15.463 -0.950 1.00 34.04 H new ATOM 0 HB2 GLU A 37 -12.053 -14.605 -3.277 1.00 42.25 H new ATOM 0 HB3 GLU A 37 -10.424 -14.804 -2.663 1.00 42.25 H new ATOM 0 HG2 GLU A 37 -10.890 -16.752 -3.926 1.00 23.31 H new ATOM 0 HG3 GLU A 37 -10.965 -17.241 -2.245 1.00 23.31 H new ATOM 527 N LEU A 38 -9.774 -14.567 -0.170 1.00 22.31 N ATOM 528 CA LEU A 38 -8.582 -14.837 0.622 1.00 62.53 C ATOM 529 C LEU A 38 -8.872 -14.850 2.116 1.00 1.24 C ATOM 530 O LEU A 38 -8.534 -15.799 2.816 1.00 2.52 O ATOM 531 CB LEU A 38 -7.529 -13.760 0.327 1.00 71.34 C ATOM 532 CG LEU A 38 -6.225 -13.842 1.119 1.00 20.12 C ATOM 533 CD1 LEU A 38 -5.403 -15.057 0.713 1.00 54.12 C ATOM 534 CD2 LEU A 38 -5.433 -12.560 0.971 1.00 24.42 C ATOM 0 H LEU A 38 -9.711 -13.708 -0.717 1.00 22.31 H new ATOM 0 HA LEU A 38 -8.218 -15.827 0.345 1.00 62.53 H new ATOM 0 HB2 LEU A 38 -7.286 -13.803 -0.735 1.00 71.34 H new ATOM 0 HB3 LEU A 38 -7.979 -12.784 0.512 1.00 71.34 H new ATOM 0 HG LEU A 38 -6.475 -13.964 2.173 1.00 20.12 H new ATOM 0 HD11 LEU A 38 -4.482 -15.085 1.296 1.00 54.12 H new ATOM 0 HD12 LEU A 38 -5.978 -15.964 0.900 1.00 54.12 H new ATOM 0 HD13 LEU A 38 -5.159 -14.994 -0.348 1.00 54.12 H new ATOM 0 HD21 LEU A 38 -4.507 -12.636 1.542 1.00 24.42 H new ATOM 0 HD22 LEU A 38 -5.198 -12.397 -0.081 1.00 24.42 H new ATOM 0 HD23 LEU A 38 -6.022 -11.723 1.346 1.00 24.42 H new ATOM 546 N LEU A 39 -9.526 -13.817 2.591 1.00 64.10 N ATOM 547 CA LEU A 39 -9.758 -13.681 4.014 1.00 20.45 C ATOM 548 C LEU A 39 -11.020 -14.381 4.463 1.00 3.54 C ATOM 549 O LEU A 39 -11.223 -14.591 5.660 1.00 44.13 O ATOM 550 CB LEU A 39 -9.761 -12.211 4.440 1.00 73.12 C ATOM 551 CG LEU A 39 -8.459 -11.430 4.199 1.00 22.44 C ATOM 552 CD1 LEU A 39 -8.613 -9.991 4.653 1.00 23.12 C ATOM 553 CD2 LEU A 39 -7.282 -12.089 4.915 1.00 11.23 C ATOM 0 H LEU A 39 -9.906 -13.062 2.020 1.00 64.10 H new ATOM 0 HA LEU A 39 -8.926 -14.177 4.514 1.00 20.45 H new ATOM 0 HB2 LEU A 39 -10.568 -11.703 3.911 1.00 73.12 H new ATOM 0 HB3 LEU A 39 -9.997 -12.163 5.503 1.00 73.12 H new ATOM 0 HG LEU A 39 -8.253 -11.441 3.129 1.00 22.44 H new ATOM 0 HD11 LEU A 39 -7.682 -9.452 4.475 1.00 23.12 H new ATOM 0 HD12 LEU A 39 -9.419 -9.517 4.093 1.00 23.12 H new ATOM 0 HD13 LEU A 39 -8.848 -9.968 5.717 1.00 23.12 H new ATOM 0 HD21 LEU A 39 -6.374 -11.515 4.727 1.00 11.23 H new ATOM 0 HD22 LEU A 39 -7.478 -12.117 5.987 1.00 11.23 H new ATOM 0 HD23 LEU A 39 -7.153 -13.105 4.543 1.00 11.23 H new ATOM 565 N GLY A 40 -11.854 -14.751 3.522 1.00 72.21 N ATOM 566 CA GLY A 40 -13.099 -15.404 3.856 1.00 53.53 C ATOM 567 C GLY A 40 -14.102 -14.411 4.396 1.00 73.32 C ATOM 568 O GLY A 40 -14.923 -14.730 5.268 1.00 13.34 O ATOM 0 H GLY A 40 -11.696 -14.613 2.524 1.00 72.21 H new ATOM 0 HA2 GLY A 40 -13.506 -15.893 2.971 1.00 53.53 H new ATOM 0 HA3 GLY A 40 -12.918 -16.183 4.596 1.00 53.53 H new ATOM 572 N VAL A 41 -14.003 -13.205 3.910 1.00 12.21 N ATOM 573 CA VAL A 41 -14.878 -12.118 4.315 1.00 33.11 C ATOM 574 C VAL A 41 -15.585 -11.580 3.079 1.00 73.13 C ATOM 575 O VAL A 41 -15.161 -11.869 1.980 1.00 54.00 O ATOM 576 CB VAL A 41 -14.073 -10.963 5.004 1.00 23.44 C ATOM 577 CG1 VAL A 41 -13.322 -11.472 6.216 1.00 70.24 C ATOM 578 CG2 VAL A 41 -13.116 -10.275 4.027 1.00 75.24 C ATOM 0 H VAL A 41 -13.308 -12.937 3.213 1.00 12.21 H new ATOM 0 HA VAL A 41 -15.601 -12.498 5.037 1.00 33.11 H new ATOM 0 HB VAL A 41 -14.798 -10.219 5.335 1.00 23.44 H new ATOM 0 HG11 VAL A 41 -12.772 -10.650 6.675 1.00 70.24 H new ATOM 0 HG12 VAL A 41 -14.029 -11.882 6.937 1.00 70.24 H new ATOM 0 HG13 VAL A 41 -12.623 -12.250 5.910 1.00 70.24 H new ATOM 0 HG21 VAL A 41 -12.577 -9.481 4.544 1.00 75.24 H new ATOM 0 HG22 VAL A 41 -12.404 -11.004 3.641 1.00 75.24 H new ATOM 0 HG23 VAL A 41 -13.684 -9.849 3.200 1.00 75.24 H new ATOM 588 N PRO A 42 -16.695 -10.854 3.225 1.00 24.25 N ATOM 589 CA PRO A 42 -17.347 -10.226 2.083 1.00 2.13 C ATOM 590 C PRO A 42 -16.574 -8.981 1.599 1.00 53.21 C ATOM 591 O PRO A 42 -15.738 -8.405 2.348 1.00 22.42 O ATOM 592 CB PRO A 42 -18.721 -9.833 2.632 1.00 24.13 C ATOM 593 CG PRO A 42 -18.504 -9.651 4.089 1.00 63.12 C ATOM 594 CD PRO A 42 -17.442 -10.641 4.478 1.00 13.41 C ATOM 0 HA PRO A 42 -17.400 -10.887 1.218 1.00 2.13 H new ATOM 0 HB2 PRO A 42 -19.086 -8.917 2.168 1.00 24.13 H new ATOM 0 HB3 PRO A 42 -19.463 -10.607 2.435 1.00 24.13 H new ATOM 0 HG2 PRO A 42 -18.188 -8.632 4.312 1.00 63.12 H new ATOM 0 HG3 PRO A 42 -19.424 -9.828 4.645 1.00 63.12 H new ATOM 0 HD2 PRO A 42 -16.799 -10.251 5.267 1.00 13.41 H new ATOM 0 HD3 PRO A 42 -17.875 -11.569 4.850 1.00 13.41 H new ATOM 602 N VAL A 43 -16.883 -8.545 0.381 1.00 70.42 N ATOM 603 CA VAL A 43 -16.245 -7.382 -0.260 1.00 3.43 C ATOM 604 C VAL A 43 -16.467 -6.142 0.598 1.00 52.53 C ATOM 605 O VAL A 43 -15.602 -5.267 0.698 1.00 34.04 O ATOM 606 CB VAL A 43 -16.823 -7.133 -1.683 1.00 11.44 C ATOM 607 CG1 VAL A 43 -16.110 -5.981 -2.380 1.00 14.03 C ATOM 608 CG2 VAL A 43 -16.745 -8.395 -2.517 1.00 1.33 C ATOM 0 H VAL A 43 -17.592 -8.990 -0.202 1.00 70.42 H new ATOM 0 HA VAL A 43 -15.179 -7.589 -0.354 1.00 3.43 H new ATOM 0 HB VAL A 43 -17.871 -6.854 -1.573 1.00 11.44 H new ATOM 0 HG11 VAL A 43 -16.539 -5.834 -3.371 1.00 14.03 H new ATOM 0 HG12 VAL A 43 -16.231 -5.070 -1.794 1.00 14.03 H new ATOM 0 HG13 VAL A 43 -15.049 -6.213 -2.474 1.00 14.03 H new ATOM 0 HG21 VAL A 43 -17.154 -8.202 -3.509 1.00 1.33 H new ATOM 0 HG22 VAL A 43 -15.705 -8.707 -2.608 1.00 1.33 H new ATOM 0 HG23 VAL A 43 -17.320 -9.186 -2.035 1.00 1.33 H new ATOM 618 N SER A 44 -17.610 -6.118 1.243 1.00 55.42 N ATOM 619 CA SER A 44 -18.004 -5.064 2.127 1.00 63.40 C ATOM 620 C SER A 44 -16.961 -4.880 3.254 1.00 23.42 C ATOM 621 O SER A 44 -16.552 -3.761 3.549 1.00 33.52 O ATOM 622 CB SER A 44 -19.341 -5.454 2.714 1.00 13.21 C ATOM 623 OG SER A 44 -20.243 -5.844 1.681 1.00 45.25 O ATOM 0 H SER A 44 -18.307 -6.858 1.159 1.00 55.42 H new ATOM 0 HA SER A 44 -18.074 -4.119 1.588 1.00 63.40 H new ATOM 0 HB2 SER A 44 -19.210 -6.274 3.420 1.00 13.21 H new ATOM 0 HB3 SER A 44 -19.758 -4.616 3.273 1.00 13.21 H new ATOM 0 HG SER A 44 -21.104 -6.095 2.076 1.00 45.25 H new ATOM 629 N LYS A 45 -16.493 -5.987 3.844 1.00 55.11 N ATOM 630 CA LYS A 45 -15.480 -5.906 4.890 1.00 12.13 C ATOM 631 C LYS A 45 -14.145 -5.467 4.333 1.00 71.42 C ATOM 632 O LYS A 45 -13.375 -4.805 5.017 1.00 31.42 O ATOM 633 CB LYS A 45 -15.352 -7.177 5.742 1.00 22.40 C ATOM 634 CG LYS A 45 -16.575 -7.454 6.612 1.00 41.20 C ATOM 635 CD LYS A 45 -16.341 -8.587 7.614 1.00 31.12 C ATOM 636 CE LYS A 45 -15.309 -8.209 8.680 1.00 13.42 C ATOM 637 NZ LYS A 45 -15.141 -9.268 9.701 1.00 2.25 N ATOM 0 H LYS A 45 -16.797 -6.933 3.616 1.00 55.11 H new ATOM 0 HA LYS A 45 -15.832 -5.138 5.578 1.00 12.13 H new ATOM 0 HB2 LYS A 45 -15.183 -8.030 5.084 1.00 22.40 H new ATOM 0 HB3 LYS A 45 -14.474 -7.089 6.382 1.00 22.40 H new ATOM 0 HG2 LYS A 45 -16.845 -6.547 7.152 1.00 41.20 H new ATOM 0 HG3 LYS A 45 -17.421 -7.708 5.973 1.00 41.20 H new ATOM 0 HD2 LYS A 45 -17.284 -8.843 8.097 1.00 31.12 H new ATOM 0 HD3 LYS A 45 -16.003 -9.477 7.082 1.00 31.12 H new ATOM 0 HE2 LYS A 45 -14.350 -8.014 8.201 1.00 13.42 H new ATOM 0 HE3 LYS A 45 -15.616 -7.283 9.167 1.00 13.42 H new ATOM 0 HZ1 LYS A 45 -14.433 -8.967 10.401 1.00 2.25 H new ATOM 0 HZ2 LYS A 45 -16.049 -9.437 10.178 1.00 2.25 H new ATOM 0 HZ3 LYS A 45 -14.823 -10.145 9.242 1.00 2.25 H new ATOM 651 N VAL A 46 -13.868 -5.840 3.094 1.00 25.45 N ATOM 652 CA VAL A 46 -12.643 -5.398 2.423 1.00 72.20 C ATOM 653 C VAL A 46 -12.654 -3.880 2.287 1.00 52.51 C ATOM 654 O VAL A 46 -11.655 -3.213 2.595 1.00 30.35 O ATOM 655 CB VAL A 46 -12.452 -6.067 1.037 1.00 32.34 C ATOM 656 CG1 VAL A 46 -11.135 -5.640 0.413 1.00 41.24 C ATOM 657 CG2 VAL A 46 -12.517 -7.584 1.153 1.00 74.22 C ATOM 0 H VAL A 46 -14.467 -6.444 2.530 1.00 25.45 H new ATOM 0 HA VAL A 46 -11.798 -5.706 3.039 1.00 72.20 H new ATOM 0 HB VAL A 46 -13.265 -5.738 0.389 1.00 32.34 H new ATOM 0 HG11 VAL A 46 -11.020 -6.120 -0.559 1.00 41.24 H new ATOM 0 HG12 VAL A 46 -11.127 -4.557 0.286 1.00 41.24 H new ATOM 0 HG13 VAL A 46 -10.312 -5.935 1.063 1.00 41.24 H new ATOM 0 HG21 VAL A 46 -12.380 -8.030 0.168 1.00 74.22 H new ATOM 0 HG22 VAL A 46 -11.729 -7.932 1.821 1.00 74.22 H new ATOM 0 HG23 VAL A 46 -13.488 -7.877 1.553 1.00 74.22 H new ATOM 667 N ALA A 47 -13.796 -3.347 1.884 1.00 44.23 N ATOM 668 CA ALA A 47 -13.980 -1.915 1.781 1.00 13.14 C ATOM 669 C ALA A 47 -13.807 -1.267 3.151 1.00 12.03 C ATOM 670 O ALA A 47 -13.231 -0.196 3.266 1.00 64.52 O ATOM 671 CB ALA A 47 -15.350 -1.589 1.201 1.00 12.23 C ATOM 0 H ALA A 47 -14.615 -3.894 1.621 1.00 44.23 H new ATOM 0 HA ALA A 47 -13.224 -1.513 1.106 1.00 13.14 H new ATOM 0 HB1 ALA A 47 -15.468 -0.508 1.132 1.00 12.23 H new ATOM 0 HB2 ALA A 47 -15.438 -2.028 0.207 1.00 12.23 H new ATOM 0 HB3 ALA A 47 -16.126 -1.998 1.848 1.00 12.23 H new ATOM 677 N GLN A 48 -14.270 -1.954 4.189 1.00 24.41 N ATOM 678 CA GLN A 48 -14.147 -1.460 5.559 1.00 71.22 C ATOM 679 C GLN A 48 -12.698 -1.363 5.987 1.00 71.44 C ATOM 680 O GLN A 48 -12.326 -0.400 6.615 1.00 11.32 O ATOM 681 CB GLN A 48 -14.907 -2.312 6.566 1.00 74.30 C ATOM 682 CG GLN A 48 -16.404 -2.354 6.367 1.00 74.32 C ATOM 683 CD GLN A 48 -17.120 -3.093 7.483 1.00 35.30 C ATOM 684 OE1 GLN A 48 -16.445 -4.022 8.126 1.00 63.13 O flip ATOM 685 NE2 GLN A 48 -18.271 -2.799 7.788 1.00 33.13 N flip ATOM 0 H GLN A 48 -14.736 -2.858 4.109 1.00 24.41 H new ATOM 0 HA GLN A 48 -14.593 -0.465 5.551 1.00 71.22 H new ATOM 0 HB2 GLN A 48 -14.521 -3.330 6.522 1.00 74.30 H new ATOM 0 HB3 GLN A 48 -14.699 -1.936 7.568 1.00 74.30 H new ATOM 0 HG2 GLN A 48 -16.788 -1.336 6.306 1.00 74.32 H new ATOM 0 HG3 GLN A 48 -16.627 -2.836 5.415 1.00 74.32 H new ATOM 0 HE21 GLN A 48 -18.767 -2.074 7.269 1.00 33.13 H new ATOM 0 HE22 GLN A 48 -18.733 -3.280 8.560 1.00 33.13 H new ATOM 694 N GLN A 49 -11.885 -2.361 5.632 1.00 53.14 N ATOM 695 CA GLN A 49 -10.446 -2.361 5.977 1.00 22.03 C ATOM 696 C GLN A 49 -9.767 -1.172 5.350 1.00 64.04 C ATOM 697 O GLN A 49 -8.947 -0.483 5.975 1.00 72.02 O ATOM 698 CB GLN A 49 -9.762 -3.629 5.486 1.00 20.25 C ATOM 699 CG GLN A 49 -10.344 -4.891 6.043 1.00 30.42 C ATOM 700 CD GLN A 49 -9.524 -6.106 5.679 1.00 1.45 C ATOM 701 OE1 GLN A 49 -9.852 -6.740 4.593 1.00 12.12 O flip ATOM 702 NE2 GLN A 49 -8.613 -6.485 6.388 1.00 74.32 N flip ATOM 0 H GLN A 49 -12.190 -3.181 5.107 1.00 53.14 H new ATOM 0 HA GLN A 49 -10.365 -2.312 7.063 1.00 22.03 H new ATOM 0 HB2 GLN A 49 -9.821 -3.663 4.398 1.00 20.25 H new ATOM 0 HB3 GLN A 49 -8.705 -3.583 5.746 1.00 20.25 H new ATOM 0 HG2 GLN A 49 -10.410 -4.811 7.128 1.00 30.42 H new ATOM 0 HG3 GLN A 49 -11.361 -5.016 5.670 1.00 30.42 H new ATOM 0 HE21 GLN A 49 -8.377 -5.968 7.235 1.00 74.32 H new ATOM 0 HE22 GLN A 49 -8.084 -7.320 6.136 1.00 74.32 H new ATOM 711 N LEU A 50 -10.140 -0.932 4.122 1.00 71.10 N ATOM 712 CA LEU A 50 -9.656 0.201 3.357 1.00 72.53 C ATOM 713 C LEU A 50 -10.080 1.505 4.041 1.00 12.50 C ATOM 714 O LEU A 50 -9.310 2.441 4.144 1.00 23.22 O ATOM 715 CB LEU A 50 -10.214 0.135 1.928 1.00 3.34 C ATOM 716 CG LEU A 50 -9.670 -0.969 1.017 1.00 42.44 C ATOM 717 CD1 LEU A 50 -10.399 -0.951 -0.314 1.00 72.20 C ATOM 718 CD2 LEU A 50 -8.179 -0.793 0.786 1.00 32.21 C ATOM 0 H LEU A 50 -10.797 -1.522 3.612 1.00 71.10 H new ATOM 0 HA LEU A 50 -8.567 0.171 3.309 1.00 72.53 H new ATOM 0 HB2 LEU A 50 -11.296 0.018 1.992 1.00 3.34 H new ATOM 0 HB3 LEU A 50 -10.025 1.094 1.447 1.00 3.34 H new ATOM 0 HG LEU A 50 -9.835 -1.928 1.508 1.00 42.44 H new ATOM 0 HD11 LEU A 50 -10.005 -1.740 -0.955 1.00 72.20 H new ATOM 0 HD12 LEU A 50 -11.464 -1.116 -0.148 1.00 72.20 H new ATOM 0 HD13 LEU A 50 -10.252 0.016 -0.796 1.00 72.20 H new ATOM 0 HD21 LEU A 50 -7.815 -1.589 0.136 1.00 32.21 H new ATOM 0 HD22 LEU A 50 -7.995 0.173 0.315 1.00 32.21 H new ATOM 0 HD23 LEU A 50 -7.655 -0.836 1.741 1.00 32.21 H new ATOM 730 N ARG A 51 -11.304 1.526 4.524 1.00 3.21 N ATOM 731 CA ARG A 51 -11.847 2.666 5.260 1.00 23.32 C ATOM 732 C ARG A 51 -11.229 2.805 6.654 1.00 21.45 C ATOM 733 O ARG A 51 -11.254 3.863 7.233 1.00 4.45 O ATOM 734 CB ARG A 51 -13.366 2.580 5.345 1.00 64.23 C ATOM 735 CG ARG A 51 -14.043 2.691 4.000 1.00 54.21 C ATOM 736 CD ARG A 51 -15.517 2.412 4.083 1.00 43.02 C ATOM 737 NE ARG A 51 -16.145 2.477 2.766 1.00 53.00 N ATOM 738 CZ ARG A 51 -17.311 1.911 2.437 1.00 0.23 C ATOM 739 NH1 ARG A 51 -17.992 1.185 3.332 1.00 41.35 N ATOM 740 NH2 ARG A 51 -17.791 2.075 1.215 1.00 74.02 N ATOM 0 H ARG A 51 -11.960 0.752 4.421 1.00 3.21 H new ATOM 0 HA ARG A 51 -11.580 3.564 4.703 1.00 23.32 H new ATOM 0 HB2 ARG A 51 -13.645 1.633 5.808 1.00 64.23 H new ATOM 0 HB3 ARG A 51 -13.733 3.374 5.996 1.00 64.23 H new ATOM 0 HG2 ARG A 51 -13.886 3.692 3.598 1.00 54.21 H new ATOM 0 HG3 ARG A 51 -13.581 1.991 3.303 1.00 54.21 H new ATOM 0 HD2 ARG A 51 -15.679 1.425 4.517 1.00 43.02 H new ATOM 0 HD3 ARG A 51 -15.989 3.134 4.749 1.00 43.02 H new ATOM 0 HE ARG A 51 -15.654 2.996 2.038 1.00 53.00 H new ATOM 0 HH11 ARG A 51 -17.622 1.060 4.274 1.00 41.35 H new ATOM 0 HH12 ARG A 51 -18.881 0.757 3.072 1.00 41.35 H new ATOM 0 HH21 ARG A 51 -17.272 2.629 0.534 1.00 74.02 H new ATOM 0 HH22 ARG A 51 -18.680 1.647 0.954 1.00 74.02 H new ATOM 754 N GLU A 52 -10.683 1.728 7.185 1.00 3.40 N ATOM 755 CA GLU A 52 -10.063 1.770 8.505 1.00 23.15 C ATOM 756 C GLU A 52 -8.659 2.315 8.416 1.00 61.11 C ATOM 757 O GLU A 52 -8.049 2.659 9.431 1.00 41.43 O ATOM 758 CB GLU A 52 -9.973 0.378 9.117 1.00 20.43 C ATOM 759 CG GLU A 52 -11.275 -0.261 9.531 1.00 2.51 C ATOM 760 CD GLU A 52 -11.045 -1.637 10.102 1.00 21.03 C ATOM 761 OE1 GLU A 52 -10.322 -1.756 11.129 1.00 54.54 O ATOM 762 OE2 GLU A 52 -11.545 -2.630 9.539 1.00 43.23 O ATOM 0 H GLU A 52 -10.653 0.816 6.730 1.00 3.40 H new ATOM 0 HA GLU A 52 -10.687 2.413 9.126 1.00 23.15 H new ATOM 0 HB2 GLU A 52 -9.484 -0.280 8.398 1.00 20.43 H new ATOM 0 HB3 GLU A 52 -9.326 0.431 9.992 1.00 20.43 H new ATOM 0 HG2 GLU A 52 -11.772 0.365 10.272 1.00 2.51 H new ATOM 0 HG3 GLU A 52 -11.941 -0.327 8.671 1.00 2.51 H new ATOM 769 N GLY A 53 -8.153 2.403 7.202 1.00 74.31 N ATOM 770 CA GLY A 53 -6.790 2.802 7.006 1.00 62.42 C ATOM 771 C GLY A 53 -5.851 1.691 7.406 1.00 54.21 C ATOM 772 O GLY A 53 -4.689 1.928 7.734 1.00 53.13 O ATOM 0 H GLY A 53 -8.669 2.203 6.345 1.00 74.31 H new ATOM 0 HA2 GLY A 53 -6.628 3.064 5.960 1.00 62.42 H new ATOM 0 HA3 GLY A 53 -6.578 3.695 7.594 1.00 62.42 H new ATOM 776 N HIS A 54 -6.367 0.471 7.385 1.00 74.13 N ATOM 777 CA HIS A 54 -5.595 -0.694 7.768 1.00 21.33 C ATOM 778 C HIS A 54 -5.278 -1.543 6.555 1.00 34.30 C ATOM 779 O HIS A 54 -4.691 -2.615 6.661 1.00 74.45 O ATOM 780 CB HIS A 54 -6.308 -1.506 8.876 1.00 11.13 C ATOM 781 CG HIS A 54 -6.397 -0.777 10.196 1.00 4.24 C ATOM 782 ND1 HIS A 54 -7.540 -0.689 10.980 1.00 34.50 N ATOM 783 CD2 HIS A 54 -5.433 -0.112 10.881 1.00 13.24 C ATOM 784 CE1 HIS A 54 -7.235 0.010 12.077 1.00 72.31 C ATOM 785 NE2 HIS A 54 -5.964 0.381 12.069 1.00 51.41 N ATOM 0 H HIS A 54 -7.326 0.265 7.104 1.00 74.13 H new ATOM 0 HA HIS A 54 -4.649 -0.354 8.190 1.00 21.33 H new ATOM 0 HB2 HIS A 54 -7.314 -1.757 8.540 1.00 11.13 H new ATOM 0 HB3 HIS A 54 -5.777 -2.446 9.025 1.00 11.13 H new ATOM 0 HD1 HIS A 54 -8.452 -1.088 10.757 1.00 34.50 H new ATOM 0 HD2 HIS A 54 -4.411 0.015 10.555 1.00 13.24 H new ATOM 0 HE1 HIS A 54 -7.934 0.242 12.867 1.00 72.31 H new ATOM 793 N LEU A 55 -5.643 -1.032 5.404 1.00 4.55 N ATOM 794 CA LEU A 55 -5.360 -1.656 4.142 1.00 30.43 C ATOM 795 C LEU A 55 -5.318 -0.538 3.114 1.00 34.12 C ATOM 796 O LEU A 55 -5.978 0.486 3.309 1.00 71.22 O ATOM 797 CB LEU A 55 -6.465 -2.683 3.810 1.00 75.51 C ATOM 798 CG LEU A 55 -6.266 -3.552 2.559 1.00 74.41 C ATOM 799 CD1 LEU A 55 -4.991 -4.379 2.667 1.00 2.32 C ATOM 800 CD2 LEU A 55 -7.472 -4.459 2.362 1.00 72.41 C ATOM 0 H LEU A 55 -6.155 -0.154 5.321 1.00 4.55 H new ATOM 0 HA LEU A 55 -4.414 -2.197 4.156 1.00 30.43 H new ATOM 0 HB2 LEU A 55 -6.577 -3.347 4.667 1.00 75.51 H new ATOM 0 HB3 LEU A 55 -7.405 -2.143 3.700 1.00 75.51 H new ATOM 0 HG LEU A 55 -6.169 -2.896 1.694 1.00 74.41 H new ATOM 0 HD11 LEU A 55 -4.873 -4.985 1.769 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -4.134 -3.714 2.771 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -5.053 -5.030 3.539 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -7.325 -5.073 1.473 1.00 72.41 H new ATOM 0 HD22 LEU A 55 -7.588 -5.104 3.233 1.00 72.41 H new ATOM 0 HD23 LEU A 55 -8.368 -3.851 2.238 1.00 72.41 H new ATOM 812 N VAL A 56 -4.552 -0.709 2.050 1.00 5.22 N ATOM 813 CA VAL A 56 -4.381 0.320 1.026 1.00 52.43 C ATOM 814 C VAL A 56 -4.418 -0.332 -0.358 1.00 3.00 C ATOM 815 O VAL A 56 -4.007 -1.486 -0.512 1.00 42.21 O ATOM 816 CB VAL A 56 -3.025 1.092 1.236 1.00 11.41 C ATOM 817 CG1 VAL A 56 -2.719 2.037 0.098 1.00 73.11 C ATOM 818 CG2 VAL A 56 -3.045 1.878 2.532 1.00 4.33 C ATOM 0 H VAL A 56 -4.028 -1.565 1.867 1.00 5.22 H new ATOM 0 HA VAL A 56 -5.194 1.042 1.106 1.00 52.43 H new ATOM 0 HB VAL A 56 -2.244 0.332 1.273 1.00 11.41 H new ATOM 0 HG11 VAL A 56 -1.774 2.545 0.291 1.00 73.11 H new ATOM 0 HG12 VAL A 56 -2.645 1.474 -0.833 1.00 73.11 H new ATOM 0 HG13 VAL A 56 -3.517 2.775 0.013 1.00 73.11 H new ATOM 0 HG21 VAL A 56 -2.097 2.402 2.654 1.00 4.33 H new ATOM 0 HG22 VAL A 56 -3.860 2.602 2.506 1.00 4.33 H new ATOM 0 HG23 VAL A 56 -3.193 1.196 3.369 1.00 4.33 H new ATOM 828 N ALA A 57 -4.904 0.400 -1.336 1.00 22.23 N ATOM 829 CA ALA A 57 -5.053 -0.078 -2.689 1.00 31.32 C ATOM 830 C ALA A 57 -4.705 1.043 -3.649 1.00 23.43 C ATOM 831 O ALA A 57 -4.694 2.199 -3.246 1.00 5.24 O ATOM 832 CB ALA A 57 -6.486 -0.514 -2.914 1.00 44.42 C ATOM 0 H ALA A 57 -5.212 1.364 -1.208 1.00 22.23 H new ATOM 0 HA ALA A 57 -4.389 -0.926 -2.858 1.00 31.32 H new ATOM 0 HB1 ALA A 57 -6.600 -0.875 -3.936 1.00 44.42 H new ATOM 0 HB2 ALA A 57 -6.737 -1.313 -2.216 1.00 44.42 H new ATOM 0 HB3 ALA A 57 -7.154 0.332 -2.752 1.00 44.42 H new ATOM 838 N VAL A 58 -4.426 0.706 -4.895 1.00 60.42 N ATOM 839 CA VAL A 58 -4.116 1.697 -5.928 1.00 5.51 C ATOM 840 C VAL A 58 -4.941 1.442 -7.169 1.00 45.04 C ATOM 841 O VAL A 58 -5.455 0.337 -7.360 1.00 15.12 O ATOM 842 CB VAL A 58 -2.612 1.752 -6.301 1.00 15.41 C ATOM 843 CG1 VAL A 58 -1.822 2.417 -5.195 1.00 42.32 C ATOM 844 CG2 VAL A 58 -2.065 0.352 -6.583 1.00 13.11 C ATOM 0 H VAL A 58 -4.406 -0.259 -5.226 1.00 60.42 H new ATOM 0 HA VAL A 58 -4.371 2.667 -5.501 1.00 5.51 H new ATOM 0 HB VAL A 58 -2.508 2.343 -7.211 1.00 15.41 H new ATOM 0 HG11 VAL A 58 -0.768 2.449 -5.470 1.00 42.32 H new ATOM 0 HG12 VAL A 58 -2.189 3.432 -5.045 1.00 42.32 H new ATOM 0 HG13 VAL A 58 -1.939 1.849 -4.272 1.00 42.32 H new ATOM 0 HG21 VAL A 58 -1.008 0.420 -6.842 1.00 13.11 H new ATOM 0 HG22 VAL A 58 -2.182 -0.270 -5.696 1.00 13.11 H new ATOM 0 HG23 VAL A 58 -2.614 -0.093 -7.413 1.00 13.11 H new ATOM 854 N ARG A 59 -5.075 2.440 -8.006 1.00 51.22 N ATOM 855 CA ARG A 59 -5.887 2.325 -9.182 1.00 63.42 C ATOM 856 C ARG A 59 -5.053 2.434 -10.457 1.00 70.34 C ATOM 857 O ARG A 59 -4.425 3.458 -10.727 1.00 62.12 O ATOM 858 CB ARG A 59 -7.014 3.373 -9.151 1.00 33.11 C ATOM 859 CG ARG A 59 -7.893 3.381 -10.392 1.00 4.13 C ATOM 860 CD ARG A 59 -9.064 4.346 -10.265 1.00 62.51 C ATOM 861 NE ARG A 59 -10.116 3.861 -9.348 1.00 73.14 N ATOM 862 CZ ARG A 59 -10.777 4.618 -8.454 1.00 75.04 C ATOM 863 NH1 ARG A 59 -10.393 5.857 -8.205 1.00 44.41 N ATOM 864 NH2 ARG A 59 -11.801 4.105 -7.788 1.00 51.43 N ATOM 0 H ARG A 59 -4.626 3.348 -7.889 1.00 51.22 H new ATOM 0 HA ARG A 59 -6.340 1.334 -9.189 1.00 63.42 H new ATOM 0 HB2 ARG A 59 -7.640 3.191 -8.277 1.00 33.11 H new ATOM 0 HB3 ARG A 59 -6.572 4.362 -9.026 1.00 33.11 H new ATOM 0 HG2 ARG A 59 -7.292 3.655 -11.259 1.00 4.13 H new ATOM 0 HG3 ARG A 59 -8.272 2.375 -10.572 1.00 4.13 H new ATOM 0 HD2 ARG A 59 -8.697 5.309 -9.911 1.00 62.51 H new ATOM 0 HD3 ARG A 59 -9.498 4.513 -11.251 1.00 62.51 H new ATOM 0 HE ARG A 59 -10.361 2.872 -9.397 1.00 73.14 H new ATOM 0 HH11 ARG A 59 -9.588 6.249 -8.693 1.00 44.41 H new ATOM 0 HH12 ARG A 59 -10.902 6.422 -7.525 1.00 44.41 H new ATOM 0 HH21 ARG A 59 -12.085 3.140 -7.954 1.00 51.43 H new ATOM 0 HH22 ARG A 59 -12.305 4.675 -7.109 1.00 51.43 H new ATOM 878 N ARG A 60 -5.055 1.379 -11.234 1.00 34.24 N ATOM 879 CA ARG A 60 -4.359 1.354 -12.501 1.00 3.43 C ATOM 880 C ARG A 60 -5.314 0.901 -13.580 1.00 75.00 C ATOM 881 O ARG A 60 -6.055 -0.083 -13.388 1.00 13.43 O ATOM 882 CB ARG A 60 -3.100 0.479 -12.461 1.00 13.41 C ATOM 883 CG ARG A 60 -3.314 -0.994 -12.171 1.00 40.33 C ATOM 884 CD ARG A 60 -1.981 -1.702 -12.084 1.00 50.15 C ATOM 885 NE ARG A 60 -2.114 -3.142 -11.910 1.00 25.22 N ATOM 886 CZ ARG A 60 -1.228 -3.921 -11.293 1.00 73.40 C ATOM 887 NH1 ARG A 60 -0.268 -3.378 -10.519 1.00 32.50 N ATOM 888 NH2 ARG A 60 -1.343 -5.250 -11.395 1.00 53.31 N ATOM 0 H ARG A 60 -5.540 0.511 -11.007 1.00 34.24 H new ATOM 0 HA ARG A 60 -4.013 2.363 -12.723 1.00 3.43 H new ATOM 0 HB2 ARG A 60 -2.591 0.568 -13.421 1.00 13.41 H new ATOM 0 HB3 ARG A 60 -2.427 0.882 -11.704 1.00 13.41 H new ATOM 0 HG2 ARG A 60 -3.860 -1.113 -11.235 1.00 40.33 H new ATOM 0 HG3 ARG A 60 -3.923 -1.443 -12.955 1.00 40.33 H new ATOM 0 HD2 ARG A 60 -1.409 -1.502 -12.990 1.00 50.15 H new ATOM 0 HD3 ARG A 60 -1.411 -1.292 -11.250 1.00 50.15 H new ATOM 0 HE ARG A 60 -2.949 -3.587 -12.290 1.00 25.22 H new ATOM 0 HH11 ARG A 60 -0.218 -2.366 -10.404 1.00 32.50 H new ATOM 0 HH12 ARG A 60 0.408 -3.979 -10.048 1.00 32.50 H new ATOM 0 HH21 ARG A 60 -2.103 -5.656 -11.941 1.00 53.31 H new ATOM 0 HH22 ARG A 60 -0.670 -5.858 -10.927 1.00 53.31 H new ATOM 902 N ALA A 61 -5.363 1.668 -14.676 1.00 74.05 N ATOM 903 CA ALA A 61 -6.253 1.411 -15.820 1.00 10.34 C ATOM 904 C ALA A 61 -7.716 1.536 -15.395 1.00 24.03 C ATOM 905 O ALA A 61 -8.617 1.024 -16.050 1.00 35.51 O ATOM 906 CB ALA A 61 -5.969 0.042 -16.453 1.00 32.14 C ATOM 0 H ALA A 61 -4.779 2.496 -14.797 1.00 74.05 H new ATOM 0 HA ALA A 61 -6.054 2.165 -16.582 1.00 10.34 H new ATOM 0 HB1 ALA A 61 -6.643 -0.117 -17.295 1.00 32.14 H new ATOM 0 HB2 ALA A 61 -4.937 0.010 -16.803 1.00 32.14 H new ATOM 0 HB3 ALA A 61 -6.125 -0.741 -15.711 1.00 32.14 H new ATOM 912 N GLY A 62 -7.940 2.248 -14.307 1.00 34.42 N ATOM 913 CA GLY A 62 -9.275 2.428 -13.798 1.00 0.04 C ATOM 914 C GLY A 62 -9.640 1.407 -12.732 1.00 20.24 C ATOM 915 O GLY A 62 -10.591 1.608 -11.986 1.00 42.24 O ATOM 0 H GLY A 62 -7.211 2.709 -13.763 1.00 34.42 H new ATOM 0 HA2 GLY A 62 -9.368 3.431 -13.382 1.00 0.04 H new ATOM 0 HA3 GLY A 62 -9.986 2.357 -14.621 1.00 0.04 H new ATOM 919 N GLY A 63 -8.863 0.347 -12.633 1.00 23.13 N ATOM 920 CA GLY A 63 -9.158 -0.708 -11.688 1.00 23.14 C ATOM 921 C GLY A 63 -8.387 -0.555 -10.404 1.00 32.42 C ATOM 922 O GLY A 63 -7.225 -0.148 -10.421 1.00 31.14 O ATOM 0 H GLY A 63 -8.025 0.195 -13.194 1.00 23.13 H new ATOM 0 HA2 GLY A 63 -10.226 -0.710 -11.470 1.00 23.14 H new ATOM 0 HA3 GLY A 63 -8.923 -1.672 -12.138 1.00 23.14 H new ATOM 926 N VAL A 64 -9.016 -0.887 -9.306 1.00 63.32 N ATOM 927 CA VAL A 64 -8.398 -0.799 -7.997 1.00 72.22 C ATOM 928 C VAL A 64 -7.863 -2.159 -7.602 1.00 61.55 C ATOM 929 O VAL A 64 -8.601 -3.141 -7.554 1.00 1.13 O ATOM 930 CB VAL A 64 -9.412 -0.299 -6.926 1.00 2.10 C ATOM 931 CG1 VAL A 64 -8.817 -0.343 -5.529 1.00 14.23 C ATOM 932 CG2 VAL A 64 -9.838 1.112 -7.241 1.00 1.14 C ATOM 0 H VAL A 64 -9.977 -1.229 -9.289 1.00 63.32 H new ATOM 0 HA VAL A 64 -7.581 -0.079 -8.049 1.00 72.22 H new ATOM 0 HB VAL A 64 -10.275 -0.964 -6.952 1.00 2.10 H new ATOM 0 HG11 VAL A 64 -9.553 0.013 -4.809 1.00 14.23 H new ATOM 0 HG12 VAL A 64 -8.537 -1.368 -5.285 1.00 14.23 H new ATOM 0 HG13 VAL A 64 -7.933 0.294 -5.490 1.00 14.23 H new ATOM 0 HG21 VAL A 64 -10.547 1.455 -6.488 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -8.965 1.764 -7.241 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -10.311 1.139 -8.223 1.00 1.14 H new ATOM 942 N VAL A 65 -6.590 -2.211 -7.356 1.00 43.50 N ATOM 943 CA VAL A 65 -5.919 -3.429 -6.991 1.00 74.23 C ATOM 944 C VAL A 65 -5.046 -3.220 -5.772 1.00 64.02 C ATOM 945 O VAL A 65 -4.580 -2.103 -5.499 1.00 33.04 O ATOM 946 CB VAL A 65 -5.080 -4.030 -8.160 1.00 50.53 C ATOM 947 CG1 VAL A 65 -5.990 -4.692 -9.188 1.00 44.35 C ATOM 948 CG2 VAL A 65 -4.241 -2.944 -8.834 1.00 11.15 C ATOM 0 H VAL A 65 -5.975 -1.398 -7.403 1.00 43.50 H new ATOM 0 HA VAL A 65 -6.699 -4.151 -6.752 1.00 74.23 H new ATOM 0 HB VAL A 65 -4.412 -4.784 -7.743 1.00 50.53 H new ATOM 0 HG11 VAL A 65 -5.386 -5.105 -9.996 1.00 44.35 H new ATOM 0 HG12 VAL A 65 -6.555 -5.493 -8.711 1.00 44.35 H new ATOM 0 HG13 VAL A 65 -6.680 -3.952 -9.593 1.00 44.35 H new ATOM 0 HG21 VAL A 65 -3.663 -3.383 -9.647 1.00 11.15 H new ATOM 0 HG22 VAL A 65 -4.898 -2.171 -9.232 1.00 11.15 H new ATOM 0 HG23 VAL A 65 -3.563 -2.502 -8.104 1.00 11.15 H new ATOM 958 N ILE A 66 -4.856 -4.278 -5.040 1.00 65.42 N ATOM 959 CA ILE A 66 -4.081 -4.274 -3.824 1.00 22.34 C ATOM 960 C ILE A 66 -2.853 -5.155 -4.036 1.00 72.24 C ATOM 961 O ILE A 66 -2.970 -6.227 -4.605 1.00 62.31 O ATOM 962 CB ILE A 66 -4.938 -4.844 -2.644 1.00 52.21 C ATOM 963 CG1 ILE A 66 -6.200 -3.994 -2.461 1.00 13.42 C ATOM 964 CG2 ILE A 66 -4.135 -4.887 -1.342 1.00 3.14 C ATOM 965 CD1 ILE A 66 -7.179 -4.521 -1.438 1.00 21.31 C ATOM 0 H ILE A 66 -5.243 -5.192 -5.274 1.00 65.42 H new ATOM 0 HA ILE A 66 -3.779 -3.256 -3.578 1.00 22.34 H new ATOM 0 HB ILE A 66 -5.223 -5.866 -2.893 1.00 52.21 H new ATOM 0 HG12 ILE A 66 -5.903 -2.986 -2.172 1.00 13.42 H new ATOM 0 HG13 ILE A 66 -6.709 -3.914 -3.422 1.00 13.42 H new ATOM 0 HG21 ILE A 66 -4.759 -5.288 -0.543 1.00 3.14 H new ATOM 0 HG22 ILE A 66 -3.261 -5.525 -1.474 1.00 3.14 H new ATOM 0 HG23 ILE A 66 -3.812 -3.879 -1.080 1.00 3.14 H new ATOM 0 HD11 ILE A 66 -8.039 -3.853 -1.379 1.00 21.31 H new ATOM 0 HD12 ILE A 66 -7.512 -5.516 -1.732 1.00 21.31 H new ATOM 0 HD13 ILE A 66 -6.694 -4.574 -0.463 1.00 21.31 H new ATOM 977 N PRO A 67 -1.659 -4.711 -3.659 1.00 1.40 N ATOM 978 CA PRO A 67 -0.464 -5.536 -3.771 1.00 32.04 C ATOM 979 C PRO A 67 -0.502 -6.703 -2.777 1.00 62.44 C ATOM 980 O PRO A 67 -0.737 -6.499 -1.584 1.00 14.23 O ATOM 981 CB PRO A 67 0.682 -4.587 -3.397 1.00 20.31 C ATOM 982 CG PRO A 67 0.096 -3.218 -3.407 1.00 14.33 C ATOM 983 CD PRO A 67 -1.363 -3.381 -3.117 1.00 72.51 C ATOM 0 HA PRO A 67 -0.363 -5.971 -4.765 1.00 32.04 H new ATOM 0 HB2 PRO A 67 1.087 -4.832 -2.415 1.00 20.31 H new ATOM 0 HB3 PRO A 67 1.503 -4.666 -4.109 1.00 20.31 H new ATOM 0 HG2 PRO A 67 0.573 -2.586 -2.658 1.00 14.33 H new ATOM 0 HG3 PRO A 67 0.249 -2.737 -4.373 1.00 14.33 H new ATOM 0 HD2 PRO A 67 -1.571 -3.325 -2.049 1.00 72.51 H new ATOM 0 HD3 PRO A 67 -1.960 -2.607 -3.599 1.00 72.51 H new ATOM 991 N GLN A 68 -0.246 -7.922 -3.262 1.00 53.30 N ATOM 992 CA GLN A 68 -0.223 -9.106 -2.412 1.00 2.24 C ATOM 993 C GLN A 68 0.872 -9.008 -1.364 1.00 2.42 C ATOM 994 O GLN A 68 0.791 -9.610 -0.312 1.00 73.02 O ATOM 995 CB GLN A 68 -0.063 -10.352 -3.263 1.00 14.35 C ATOM 996 CG GLN A 68 -0.001 -11.661 -2.487 1.00 70.12 C ATOM 997 CD GLN A 68 -0.112 -12.863 -3.382 1.00 51.33 C ATOM 998 OE1 GLN A 68 -0.869 -12.727 -4.445 1.00 2.32 O flip ATOM 999 NE2 GLN A 68 0.451 -13.923 -3.099 1.00 4.51 N flip ATOM 0 H GLN A 68 -0.051 -8.110 -4.245 1.00 53.30 H new ATOM 0 HA GLN A 68 -1.172 -9.171 -1.880 1.00 2.24 H new ATOM 0 HB2 GLN A 68 -0.895 -10.403 -3.965 1.00 14.35 H new ATOM 0 HB3 GLN A 68 0.847 -10.255 -3.854 1.00 14.35 H new ATOM 0 HG2 GLN A 68 0.937 -11.708 -1.934 1.00 70.12 H new ATOM 0 HG3 GLN A 68 -0.806 -11.683 -1.752 1.00 70.12 H new ATOM 0 HE21 GLN A 68 1.031 -13.985 -2.262 1.00 4.51 H new ATOM 0 HE22 GLN A 68 0.337 -14.738 -3.702 1.00 4.51 H new ATOM 1008 N VAL A 69 1.880 -8.223 -1.666 1.00 3.43 N ATOM 1009 CA VAL A 69 3.014 -8.006 -0.778 1.00 63.34 C ATOM 1010 C VAL A 69 2.625 -7.233 0.515 1.00 51.12 C ATOM 1011 O VAL A 69 3.439 -7.066 1.412 1.00 21.34 O ATOM 1012 CB VAL A 69 4.163 -7.292 -1.519 1.00 4.14 C ATOM 1013 CG1 VAL A 69 4.665 -8.152 -2.672 1.00 4.30 C ATOM 1014 CG2 VAL A 69 3.708 -5.945 -2.036 1.00 61.11 C ATOM 0 H VAL A 69 1.943 -7.708 -2.544 1.00 3.43 H new ATOM 0 HA VAL A 69 3.359 -8.991 -0.463 1.00 63.34 H new ATOM 0 HB VAL A 69 4.980 -7.136 -0.814 1.00 4.14 H new ATOM 0 HG11 VAL A 69 5.476 -7.635 -3.185 1.00 4.30 H new ATOM 0 HG12 VAL A 69 5.029 -9.103 -2.284 1.00 4.30 H new ATOM 0 HG13 VAL A 69 3.850 -8.334 -3.372 1.00 4.30 H new ATOM 0 HG21 VAL A 69 4.533 -5.457 -2.556 1.00 61.11 H new ATOM 0 HG22 VAL A 69 2.875 -6.082 -2.726 1.00 61.11 H new ATOM 0 HG23 VAL A 69 3.388 -5.324 -1.200 1.00 61.11 H new ATOM 1024 N PHE A 70 1.374 -6.753 0.575 1.00 13.11 N ATOM 1025 CA PHE A 70 0.821 -6.135 1.790 1.00 54.04 C ATOM 1026 C PHE A 70 0.348 -7.229 2.739 1.00 1.11 C ATOM 1027 O PHE A 70 0.028 -6.993 3.910 1.00 44.20 O ATOM 1028 CB PHE A 70 -0.349 -5.194 1.443 1.00 24.22 C ATOM 1029 CG PHE A 70 0.054 -3.772 1.134 1.00 12.52 C ATOM 1030 CD1 PHE A 70 1.011 -3.479 0.178 1.00 45.44 C ATOM 1031 CD2 PHE A 70 -0.512 -2.728 1.842 1.00 13.01 C ATOM 1032 CE1 PHE A 70 1.384 -2.169 -0.068 1.00 25.51 C ATOM 1033 CE2 PHE A 70 -0.144 -1.423 1.608 1.00 4.25 C ATOM 1034 CZ PHE A 70 0.802 -1.141 0.653 1.00 65.31 C ATOM 0 H PHE A 70 0.722 -6.781 -0.209 1.00 13.11 H new ATOM 0 HA PHE A 70 1.600 -5.543 2.271 1.00 54.04 H new ATOM 0 HB2 PHE A 70 -0.882 -5.601 0.584 1.00 24.22 H new ATOM 0 HB3 PHE A 70 -1.050 -5.185 2.278 1.00 24.22 H new ATOM 0 HD1 PHE A 70 1.471 -4.280 -0.381 1.00 45.44 H new ATOM 0 HD2 PHE A 70 -1.258 -2.941 2.594 1.00 13.01 H new ATOM 0 HE1 PHE A 70 2.127 -1.950 -0.820 1.00 25.51 H new ATOM 0 HE2 PHE A 70 -0.598 -0.623 2.174 1.00 4.25 H new ATOM 0 HZ PHE A 70 1.092 -0.118 0.465 1.00 65.31 H new ATOM 1044 N PHE A 71 0.307 -8.414 2.220 1.00 64.31 N ATOM 1045 CA PHE A 71 -0.093 -9.565 2.946 1.00 43.35 C ATOM 1046 C PHE A 71 1.104 -10.468 3.098 1.00 52.32 C ATOM 1047 O PHE A 71 2.117 -10.305 2.413 1.00 2.23 O ATOM 1048 CB PHE A 71 -1.223 -10.317 2.213 1.00 73.34 C ATOM 1049 CG PHE A 71 -2.522 -9.561 2.105 1.00 14.44 C ATOM 1050 CD1 PHE A 71 -2.719 -8.621 1.107 1.00 23.20 C ATOM 1051 CD2 PHE A 71 -3.548 -9.803 3.002 1.00 71.55 C ATOM 1052 CE1 PHE A 71 -3.914 -7.936 1.009 1.00 12.22 C ATOM 1053 CE2 PHE A 71 -4.746 -9.123 2.907 1.00 42.12 C ATOM 1054 CZ PHE A 71 -4.929 -8.188 1.908 1.00 23.01 C ATOM 0 H PHE A 71 0.559 -8.608 1.251 1.00 64.31 H new ATOM 0 HA PHE A 71 -0.472 -9.262 3.922 1.00 43.35 H new ATOM 0 HB2 PHE A 71 -0.881 -10.568 1.209 1.00 73.34 H new ATOM 0 HB3 PHE A 71 -1.409 -11.258 2.731 1.00 73.34 H new ATOM 0 HD1 PHE A 71 -1.929 -8.422 0.398 1.00 23.20 H new ATOM 0 HD2 PHE A 71 -3.410 -10.533 3.786 1.00 71.55 H new ATOM 0 HE1 PHE A 71 -4.054 -7.203 0.228 1.00 12.22 H new ATOM 0 HE2 PHE A 71 -5.539 -9.322 3.613 1.00 42.12 H new ATOM 0 HZ PHE A 71 -5.865 -7.655 1.831 1.00 23.01 H new ATOM 1064 N THR A 72 1.000 -11.386 3.984 1.00 72.15 N ATOM 1065 CA THR A 72 2.029 -12.338 4.207 1.00 31.55 C ATOM 1066 C THR A 72 1.906 -13.446 3.191 1.00 50.45 C ATOM 1067 O THR A 72 0.856 -13.592 2.539 1.00 71.12 O ATOM 1068 CB THR A 72 1.911 -12.954 5.615 1.00 74.12 C ATOM 1069 OG1 THR A 72 0.580 -13.460 5.795 1.00 64.30 O ATOM 1070 CG2 THR A 72 2.215 -11.933 6.698 1.00 10.01 C ATOM 0 H THR A 72 0.185 -11.502 4.587 1.00 72.15 H new ATOM 0 HA THR A 72 2.991 -11.833 4.117 1.00 31.55 H new ATOM 0 HB THR A 72 2.640 -13.760 5.699 1.00 74.12 H new ATOM 0 HG1 THR A 72 -0.051 -12.712 5.839 1.00 64.30 H new ATOM 0 HG21 THR A 72 2.122 -12.403 7.677 1.00 10.01 H new ATOM 0 HG22 THR A 72 3.231 -11.558 6.570 1.00 10.01 H new ATOM 0 HG23 THR A 72 1.511 -11.104 6.625 1.00 10.01 H new ATOM 1078 N ASN A 73 2.938 -14.244 3.083 1.00 33.01 N ATOM 1079 CA ASN A 73 2.938 -15.418 2.218 1.00 42.33 C ATOM 1080 C ASN A 73 1.900 -16.432 2.724 1.00 43.10 C ATOM 1081 O ASN A 73 1.443 -17.301 1.978 1.00 72.21 O ATOM 1082 CB ASN A 73 4.339 -16.058 2.191 1.00 43.14 C ATOM 1083 CG ASN A 73 4.733 -16.693 3.519 1.00 3.53 C ATOM 1084 OD1 ASN A 73 5.247 -16.017 4.410 1.00 14.02 O ATOM 1085 ND2 ASN A 73 4.537 -17.983 3.643 1.00 44.01 N ATOM 0 H ASN A 73 3.811 -14.105 3.592 1.00 33.01 H new ATOM 0 HA ASN A 73 2.676 -15.115 1.204 1.00 42.33 H new ATOM 0 HB2 ASN A 73 4.370 -16.817 1.409 1.00 43.14 H new ATOM 0 HB3 ASN A 73 5.074 -15.298 1.927 1.00 43.14 H new ATOM 0 HD21 ASN A 73 4.814 -18.461 4.501 1.00 44.01 H new ATOM 0 HD22 ASN A 73 4.108 -18.509 2.882 1.00 44.01 H new ATOM 1092 N SER A 74 1.513 -16.276 3.988 1.00 24.43 N ATOM 1093 CA SER A 74 0.532 -17.117 4.625 1.00 30.21 C ATOM 1094 C SER A 74 -0.890 -16.684 4.213 1.00 24.34 C ATOM 1095 O SER A 74 -1.835 -17.453 4.321 1.00 52.32 O ATOM 1096 CB SER A 74 0.689 -16.992 6.139 1.00 13.34 C ATOM 1097 OG SER A 74 2.048 -17.161 6.531 1.00 71.31 O ATOM 0 H SER A 74 1.884 -15.548 4.598 1.00 24.43 H new ATOM 0 HA SER A 74 0.683 -18.152 4.317 1.00 30.21 H new ATOM 0 HB2 SER A 74 0.332 -16.015 6.465 1.00 13.34 H new ATOM 0 HB3 SER A 74 0.069 -17.739 6.635 1.00 13.34 H new ATOM 0 HG SER A 74 2.121 -17.075 7.504 1.00 71.31 H new ATOM 1103 N GLY A 75 -1.029 -15.456 3.732 1.00 70.53 N ATOM 1104 CA GLY A 75 -2.324 -14.986 3.282 1.00 32.43 C ATOM 1105 C GLY A 75 -2.975 -13.988 4.226 1.00 42.43 C ATOM 1106 O GLY A 75 -4.032 -13.440 3.920 1.00 14.55 O ATOM 0 H GLY A 75 -0.271 -14.779 3.646 1.00 70.53 H new ATOM 0 HA2 GLY A 75 -2.212 -14.525 2.301 1.00 32.43 H new ATOM 0 HA3 GLY A 75 -2.988 -15.842 3.158 1.00 32.43 H new ATOM 1110 N GLN A 76 -2.376 -13.757 5.370 1.00 4.43 N ATOM 1111 CA GLN A 76 -2.939 -12.796 6.315 1.00 43.54 C ATOM 1112 C GLN A 76 -2.251 -11.458 6.145 1.00 74.13 C ATOM 1113 O GLN A 76 -1.204 -11.383 5.505 1.00 10.31 O ATOM 1114 CB GLN A 76 -2.773 -13.252 7.774 1.00 73.12 C ATOM 1115 CG GLN A 76 -1.325 -13.349 8.238 1.00 11.34 C ATOM 1116 CD GLN A 76 -1.194 -13.522 9.728 1.00 64.15 C ATOM 1117 OE1 GLN A 76 -1.172 -14.643 10.239 1.00 71.21 O ATOM 1118 NE2 GLN A 76 -1.100 -12.427 10.437 1.00 62.31 N ATOM 0 H GLN A 76 -1.513 -14.208 5.674 1.00 4.43 H new ATOM 0 HA GLN A 76 -4.005 -12.716 6.102 1.00 43.54 H new ATOM 0 HB2 GLN A 76 -3.305 -12.556 8.423 1.00 73.12 H new ATOM 0 HB3 GLN A 76 -3.247 -14.226 7.895 1.00 73.12 H new ATOM 0 HG2 GLN A 76 -0.844 -14.189 7.737 1.00 11.34 H new ATOM 0 HG3 GLN A 76 -0.791 -12.449 7.934 1.00 11.34 H new ATOM 0 HE21 GLN A 76 -1.122 -11.517 9.976 1.00 62.31 H new ATOM 0 HE22 GLN A 76 -1.004 -12.483 11.451 1.00 62.31 H new ATOM 1127 N VAL A 77 -2.821 -10.425 6.714 1.00 61.31 N ATOM 1128 CA VAL A 77 -2.200 -9.110 6.729 1.00 23.44 C ATOM 1129 C VAL A 77 -0.927 -9.176 7.579 1.00 14.31 C ATOM 1130 O VAL A 77 -0.895 -9.895 8.597 1.00 12.31 O ATOM 1131 CB VAL A 77 -3.196 -8.036 7.292 1.00 42.12 C ATOM 1132 CG1 VAL A 77 -2.501 -6.728 7.638 1.00 64.15 C ATOM 1133 CG2 VAL A 77 -4.287 -7.758 6.275 1.00 4.43 C ATOM 0 H VAL A 77 -3.727 -10.465 7.181 1.00 61.31 H new ATOM 0 HA VAL A 77 -1.940 -8.814 5.713 1.00 23.44 H new ATOM 0 HB VAL A 77 -3.622 -8.446 8.208 1.00 42.12 H new ATOM 0 HG11 VAL A 77 -3.233 -6.018 8.023 1.00 64.15 H new ATOM 0 HG12 VAL A 77 -1.739 -6.910 8.395 1.00 64.15 H new ATOM 0 HG13 VAL A 77 -2.033 -6.317 6.744 1.00 64.15 H new ATOM 0 HG21 VAL A 77 -4.974 -7.012 6.673 1.00 4.43 H new ATOM 0 HG22 VAL A 77 -3.839 -7.384 5.354 1.00 4.43 H new ATOM 0 HG23 VAL A 77 -4.832 -8.678 6.066 1.00 4.43 H new ATOM 1143 N VAL A 78 0.124 -8.506 7.126 1.00 22.21 N ATOM 1144 CA VAL A 78 1.372 -8.472 7.864 1.00 13.10 C ATOM 1145 C VAL A 78 1.145 -7.683 9.149 1.00 73.12 C ATOM 1146 O VAL A 78 0.500 -6.638 9.124 1.00 52.44 O ATOM 1147 CB VAL A 78 2.519 -7.801 7.045 1.00 31.25 C ATOM 1148 CG1 VAL A 78 3.854 -7.934 7.764 1.00 75.40 C ATOM 1149 CG2 VAL A 78 2.613 -8.378 5.641 1.00 1.42 C ATOM 0 H VAL A 78 0.134 -7.980 6.252 1.00 22.21 H new ATOM 0 HA VAL A 78 1.677 -9.497 8.076 1.00 13.10 H new ATOM 0 HB VAL A 78 2.278 -6.742 6.958 1.00 31.25 H new ATOM 0 HG11 VAL A 78 4.635 -7.458 7.172 1.00 75.40 H new ATOM 0 HG12 VAL A 78 3.792 -7.450 8.739 1.00 75.40 H new ATOM 0 HG13 VAL A 78 4.092 -8.989 7.897 1.00 75.40 H new ATOM 0 HG21 VAL A 78 3.422 -7.888 5.100 1.00 1.42 H new ATOM 0 HG22 VAL A 78 2.812 -9.448 5.700 1.00 1.42 H new ATOM 0 HG23 VAL A 78 1.672 -8.212 5.116 1.00 1.42 H new ATOM 1159 N LYS A 79 1.667 -8.180 10.247 1.00 52.22 N ATOM 1160 CA LYS A 79 1.501 -7.563 11.558 1.00 13.04 C ATOM 1161 C LYS A 79 1.944 -6.095 11.577 1.00 22.51 C ATOM 1162 O LYS A 79 1.314 -5.250 12.215 1.00 25.35 O ATOM 1163 CB LYS A 79 2.273 -8.369 12.624 1.00 44.23 C ATOM 1164 CG LYS A 79 2.246 -7.756 14.020 1.00 31.21 C ATOM 1165 CD LYS A 79 0.824 -7.627 14.540 1.00 13.03 C ATOM 1166 CE LYS A 79 0.776 -6.900 15.862 1.00 43.23 C ATOM 1167 NZ LYS A 79 -0.607 -6.739 16.336 1.00 15.43 N ATOM 0 H LYS A 79 2.226 -9.033 10.263 1.00 52.22 H new ATOM 0 HA LYS A 79 0.436 -7.577 11.789 1.00 13.04 H new ATOM 0 HB2 LYS A 79 1.856 -9.375 12.674 1.00 44.23 H new ATOM 0 HB3 LYS A 79 3.310 -8.470 12.305 1.00 44.23 H new ATOM 0 HG2 LYS A 79 2.830 -8.374 14.702 1.00 31.21 H new ATOM 0 HG3 LYS A 79 2.717 -6.774 13.997 1.00 31.21 H new ATOM 0 HD2 LYS A 79 0.216 -7.093 13.809 1.00 13.03 H new ATOM 0 HD3 LYS A 79 0.387 -8.619 14.654 1.00 13.03 H new ATOM 0 HE2 LYS A 79 1.354 -7.451 16.603 1.00 43.23 H new ATOM 0 HE3 LYS A 79 1.243 -5.921 15.758 1.00 43.23 H new ATOM 0 HZ1 LYS A 79 -0.606 -6.236 17.246 1.00 15.43 H new ATOM 0 HZ2 LYS A 79 -1.151 -6.192 15.639 1.00 15.43 H new ATOM 0 HZ3 LYS A 79 -1.043 -7.675 16.459 1.00 15.43 H new ATOM 1181 N SER A 80 2.977 -5.795 10.855 1.00 5.32 N ATOM 1182 CA SER A 80 3.540 -4.476 10.839 1.00 4.13 C ATOM 1183 C SER A 80 2.882 -3.561 9.781 1.00 45.55 C ATOM 1184 O SER A 80 3.214 -2.366 9.682 1.00 64.44 O ATOM 1185 CB SER A 80 5.038 -4.620 10.634 1.00 2.25 C ATOM 1186 OG SER A 80 5.304 -5.532 9.567 1.00 45.34 O ATOM 0 H SER A 80 3.460 -6.462 10.254 1.00 5.32 H new ATOM 0 HA SER A 80 3.342 -3.979 11.789 1.00 4.13 H new ATOM 0 HB2 SER A 80 5.477 -3.648 10.409 1.00 2.25 H new ATOM 0 HB3 SER A 80 5.506 -4.976 11.552 1.00 2.25 H new ATOM 0 HG SER A 80 6.272 -5.616 9.442 1.00 45.34 H new ATOM 1192 N LEU A 81 1.916 -4.104 9.031 1.00 62.14 N ATOM 1193 CA LEU A 81 1.236 -3.342 7.993 1.00 41.13 C ATOM 1194 C LEU A 81 0.409 -2.174 8.585 1.00 63.12 C ATOM 1195 O LEU A 81 0.614 -1.020 8.184 1.00 63.55 O ATOM 1196 CB LEU A 81 0.351 -4.222 7.095 1.00 43.10 C ATOM 1197 CG LEU A 81 -0.210 -3.522 5.872 1.00 64.41 C ATOM 1198 CD1 LEU A 81 0.877 -3.315 4.850 1.00 61.32 C ATOM 1199 CD2 LEU A 81 -1.368 -4.286 5.287 1.00 54.35 C ATOM 0 H LEU A 81 1.593 -5.066 9.128 1.00 62.14 H new ATOM 0 HA LEU A 81 2.024 -2.923 7.367 1.00 41.13 H new ATOM 0 HB2 LEU A 81 0.933 -5.084 6.768 1.00 43.10 H new ATOM 0 HB3 LEU A 81 -0.479 -4.605 7.690 1.00 43.10 H new ATOM 0 HG LEU A 81 -0.588 -2.547 6.178 1.00 64.41 H new ATOM 0 HD11 LEU A 81 0.464 -2.812 3.976 1.00 61.32 H new ATOM 0 HD12 LEU A 81 1.669 -2.703 5.280 1.00 61.32 H new ATOM 0 HD13 LEU A 81 1.286 -4.281 4.553 1.00 61.32 H new ATOM 0 HD21 LEU A 81 -1.747 -3.758 4.412 1.00 54.35 H new ATOM 0 HD22 LEU A 81 -1.036 -5.282 4.994 1.00 54.35 H new ATOM 0 HD23 LEU A 81 -2.160 -4.372 6.031 1.00 54.35 H new ATOM 1211 N PRO A 82 -0.524 -2.426 9.583 1.00 23.13 N ATOM 1212 CA PRO A 82 -1.328 -1.352 10.175 1.00 40.23 C ATOM 1213 C PRO A 82 -0.448 -0.303 10.835 1.00 52.10 C ATOM 1214 O PRO A 82 -0.780 0.881 10.845 1.00 73.33 O ATOM 1215 CB PRO A 82 -2.189 -2.064 11.231 1.00 33.42 C ATOM 1216 CG PRO A 82 -2.219 -3.480 10.800 1.00 5.04 C ATOM 1217 CD PRO A 82 -0.879 -3.738 10.196 1.00 4.51 C ATOM 0 HA PRO A 82 -1.920 -0.825 9.427 1.00 40.23 H new ATOM 0 HB2 PRO A 82 -1.758 -1.962 12.227 1.00 33.42 H new ATOM 0 HB3 PRO A 82 -3.193 -1.642 11.273 1.00 33.42 H new ATOM 0 HG2 PRO A 82 -2.404 -4.144 11.644 1.00 5.04 H new ATOM 0 HG3 PRO A 82 -3.016 -3.654 10.077 1.00 5.04 H new ATOM 0 HD2 PRO A 82 -0.150 -4.042 10.947 1.00 4.51 H new ATOM 0 HD3 PRO A 82 -0.919 -4.533 9.451 1.00 4.51 H new ATOM 1225 N GLY A 83 0.691 -0.742 11.342 1.00 71.04 N ATOM 1226 CA GLY A 83 1.611 0.138 12.003 1.00 2.31 C ATOM 1227 C GLY A 83 2.209 1.169 11.072 1.00 23.13 C ATOM 1228 O GLY A 83 2.257 2.362 11.416 1.00 31.12 O ATOM 0 H GLY A 83 0.994 -1.715 11.302 1.00 71.04 H new ATOM 0 HA2 GLY A 83 1.097 0.647 12.819 1.00 2.31 H new ATOM 0 HA3 GLY A 83 2.413 -0.451 12.449 1.00 2.31 H new ATOM 1232 N LEU A 84 2.643 0.741 9.891 1.00 72.43 N ATOM 1233 CA LEU A 84 3.221 1.673 8.932 1.00 1.25 C ATOM 1234 C LEU A 84 2.134 2.607 8.418 1.00 24.33 C ATOM 1235 O LEU A 84 2.336 3.807 8.282 1.00 52.23 O ATOM 1236 CB LEU A 84 3.968 0.940 7.781 1.00 20.43 C ATOM 1237 CG LEU A 84 3.135 0.324 6.639 1.00 55.55 C ATOM 1238 CD1 LEU A 84 2.929 1.332 5.498 1.00 71.44 C ATOM 1239 CD2 LEU A 84 3.780 -0.946 6.129 1.00 10.03 C ATOM 0 H LEU A 84 2.607 -0.229 9.579 1.00 72.43 H new ATOM 0 HA LEU A 84 3.980 2.272 9.436 1.00 1.25 H new ATOM 0 HB2 LEU A 84 4.668 1.648 7.337 1.00 20.43 H new ATOM 0 HB3 LEU A 84 4.562 0.142 8.226 1.00 20.43 H new ATOM 0 HG LEU A 84 2.154 0.069 7.039 1.00 55.55 H new ATOM 0 HD11 LEU A 84 2.338 0.870 4.707 1.00 71.44 H new ATOM 0 HD12 LEU A 84 2.405 2.209 5.878 1.00 71.44 H new ATOM 0 HD13 LEU A 84 3.898 1.633 5.099 1.00 71.44 H new ATOM 0 HD21 LEU A 84 3.175 -1.363 5.324 1.00 10.03 H new ATOM 0 HD22 LEU A 84 4.779 -0.722 5.754 1.00 10.03 H new ATOM 0 HD23 LEU A 84 3.852 -1.669 6.941 1.00 10.03 H new ATOM 1251 N LEU A 85 0.965 2.043 8.176 1.00 1.20 N ATOM 1252 CA LEU A 85 -0.155 2.803 7.670 1.00 35.43 C ATOM 1253 C LEU A 85 -0.582 3.863 8.667 1.00 13.25 C ATOM 1254 O LEU A 85 -0.828 4.996 8.294 1.00 60.31 O ATOM 1255 CB LEU A 85 -1.314 1.876 7.309 1.00 41.14 C ATOM 1256 CG LEU A 85 -1.013 0.842 6.221 1.00 32.41 C ATOM 1257 CD1 LEU A 85 -2.208 -0.041 5.972 1.00 32.40 C ATOM 1258 CD2 LEU A 85 -0.581 1.523 4.936 1.00 22.11 C ATOM 0 H LEU A 85 0.769 1.053 8.324 1.00 1.20 H new ATOM 0 HA LEU A 85 0.158 3.315 6.760 1.00 35.43 H new ATOM 0 HB2 LEU A 85 -1.630 1.349 8.210 1.00 41.14 H new ATOM 0 HB3 LEU A 85 -2.157 2.486 6.984 1.00 41.14 H new ATOM 0 HG LEU A 85 -0.193 0.216 6.572 1.00 32.41 H new ATOM 0 HD11 LEU A 85 -1.968 -0.767 5.195 1.00 32.40 H new ATOM 0 HD12 LEU A 85 -2.470 -0.566 6.891 1.00 32.40 H new ATOM 0 HD13 LEU A 85 -3.051 0.570 5.650 1.00 32.40 H new ATOM 0 HD21 LEU A 85 -0.372 0.769 4.177 1.00 22.11 H new ATOM 0 HD22 LEU A 85 -1.378 2.179 4.586 1.00 22.11 H new ATOM 0 HD23 LEU A 85 0.318 2.111 5.120 1.00 22.11 H new ATOM 1270 N THR A 86 -0.599 3.505 9.932 1.00 71.40 N ATOM 1271 CA THR A 86 -0.988 4.426 10.996 1.00 30.44 C ATOM 1272 C THR A 86 -0.106 5.687 11.011 1.00 45.13 C ATOM 1273 O THR A 86 -0.621 6.810 11.027 1.00 0.02 O ATOM 1274 CB THR A 86 -0.965 3.726 12.387 1.00 10.04 C ATOM 1275 OG1 THR A 86 -1.957 2.685 12.416 1.00 22.25 O ATOM 1276 CG2 THR A 86 -1.231 4.714 13.524 1.00 24.42 C ATOM 0 H THR A 86 -0.346 2.573 10.259 1.00 71.40 H new ATOM 0 HA THR A 86 -2.011 4.738 10.787 1.00 30.44 H new ATOM 0 HB THR A 86 0.030 3.305 12.534 1.00 10.04 H new ATOM 0 HG1 THR A 86 -1.737 2.005 11.746 1.00 22.25 H new ATOM 0 HG21 THR A 86 -1.207 4.187 14.478 1.00 24.42 H new ATOM 0 HG22 THR A 86 -0.465 5.490 13.519 1.00 24.42 H new ATOM 0 HG23 THR A 86 -2.211 5.171 13.387 1.00 24.42 H new ATOM 1284 N ILE A 87 1.201 5.502 10.942 1.00 14.10 N ATOM 1285 CA ILE A 87 2.112 6.623 11.005 1.00 21.14 C ATOM 1286 C ILE A 87 1.995 7.519 9.740 1.00 21.04 C ATOM 1287 O ILE A 87 1.956 8.748 9.846 1.00 65.43 O ATOM 1288 CB ILE A 87 3.593 6.166 11.388 1.00 43.10 C ATOM 1289 CG1 ILE A 87 4.605 7.337 11.526 1.00 42.33 C ATOM 1290 CG2 ILE A 87 4.132 5.088 10.466 1.00 64.35 C ATOM 1291 CD1 ILE A 87 5.107 7.933 10.227 1.00 60.20 C ATOM 0 H ILE A 87 1.649 4.591 10.843 1.00 14.10 H new ATOM 0 HA ILE A 87 1.815 7.271 11.830 1.00 21.14 H new ATOM 0 HB ILE A 87 3.490 5.734 12.383 1.00 43.10 H new ATOM 0 HG12 ILE A 87 4.137 8.129 12.110 1.00 42.33 H new ATOM 0 HG13 ILE A 87 5.464 6.984 12.097 1.00 42.33 H new ATOM 0 HG21 ILE A 87 5.142 4.817 10.774 1.00 64.35 H new ATOM 0 HG22 ILE A 87 3.489 4.210 10.518 1.00 64.35 H new ATOM 0 HG23 ILE A 87 4.153 5.462 9.442 1.00 64.35 H new ATOM 0 HD11 ILE A 87 5.806 8.741 10.443 1.00 60.20 H new ATOM 0 HD12 ILE A 87 5.612 7.162 9.644 1.00 60.20 H new ATOM 0 HD13 ILE A 87 4.265 8.325 9.657 1.00 60.20 H new ATOM 1303 N LEU A 88 1.888 6.911 8.562 1.00 44.35 N ATOM 1304 CA LEU A 88 1.704 7.694 7.333 1.00 41.11 C ATOM 1305 C LEU A 88 0.357 8.394 7.287 1.00 33.52 C ATOM 1306 O LEU A 88 0.257 9.523 6.804 1.00 75.32 O ATOM 1307 CB LEU A 88 1.912 6.881 6.062 1.00 41.50 C ATOM 1308 CG LEU A 88 3.354 6.602 5.611 1.00 13.20 C ATOM 1309 CD1 LEU A 88 4.137 7.892 5.400 1.00 21.24 C ATOM 1310 CD2 LEU A 88 4.066 5.698 6.565 1.00 3.13 C ATOM 0 H LEU A 88 1.924 5.901 8.427 1.00 44.35 H new ATOM 0 HA LEU A 88 2.486 8.452 7.368 1.00 41.11 H new ATOM 0 HB2 LEU A 88 1.412 5.921 6.194 1.00 41.50 H new ATOM 0 HB3 LEU A 88 1.402 7.397 5.249 1.00 41.50 H new ATOM 0 HG LEU A 88 3.291 6.090 4.651 1.00 13.20 H new ATOM 0 HD11 LEU A 88 5.152 7.654 5.082 1.00 21.24 H new ATOM 0 HD12 LEU A 88 3.648 8.493 4.634 1.00 21.24 H new ATOM 0 HD13 LEU A 88 4.172 8.453 6.334 1.00 21.24 H new ATOM 0 HD21 LEU A 88 5.082 5.524 6.212 1.00 3.13 H new ATOM 0 HD22 LEU A 88 4.099 6.162 7.551 1.00 3.13 H new ATOM 0 HD23 LEU A 88 3.537 4.747 6.629 1.00 3.13 H new ATOM 1322 N HIS A 89 -0.670 7.735 7.788 1.00 24.23 N ATOM 1323 CA HIS A 89 -2.003 8.323 7.837 1.00 33.33 C ATOM 1324 C HIS A 89 -2.046 9.492 8.791 1.00 42.30 C ATOM 1325 O HIS A 89 -2.766 10.453 8.565 1.00 3.21 O ATOM 1326 CB HIS A 89 -3.119 7.297 8.125 1.00 40.21 C ATOM 1327 CG HIS A 89 -3.397 6.374 6.961 1.00 72.34 C ATOM 1328 ND1 HIS A 89 -3.598 5.012 7.069 1.00 24.11 N ATOM 1329 CD2 HIS A 89 -3.530 6.661 5.641 1.00 74.35 C ATOM 1330 CE1 HIS A 89 -3.837 4.534 5.841 1.00 23.43 C ATOM 1331 NE2 HIS A 89 -3.808 5.495 4.941 1.00 51.14 N ATOM 0 H HIS A 89 -0.611 6.790 8.168 1.00 24.23 H new ATOM 0 HA HIS A 89 -2.211 8.698 6.835 1.00 33.33 H new ATOM 0 HB2 HIS A 89 -2.840 6.701 8.994 1.00 40.21 H new ATOM 0 HB3 HIS A 89 -4.034 7.829 8.384 1.00 40.21 H new ATOM 0 HD2 HIS A 89 -3.434 7.644 5.203 1.00 74.35 H new ATOM 0 HE1 HIS A 89 -4.029 3.495 5.618 1.00 23.43 H new ATOM 0 HE2 HIS A 89 -3.959 5.402 3.937 1.00 51.14 H new ATOM 1339 N ASP A 90 -1.243 9.418 9.846 1.00 11.43 N ATOM 1340 CA ASP A 90 -1.123 10.518 10.815 1.00 33.45 C ATOM 1341 C ASP A 90 -0.553 11.761 10.121 1.00 32.41 C ATOM 1342 O ASP A 90 -0.877 12.900 10.476 1.00 3.32 O ATOM 1343 CB ASP A 90 -0.210 10.105 11.982 1.00 12.12 C ATOM 1344 CG ASP A 90 -0.079 11.176 13.045 1.00 41.32 C ATOM 1345 OD1 ASP A 90 -0.953 11.247 13.942 1.00 4.14 O ATOM 1346 OD2 ASP A 90 0.902 11.976 13.010 1.00 63.25 O ATOM 0 H ASP A 90 -0.661 8.608 10.059 1.00 11.43 H new ATOM 0 HA ASP A 90 -2.112 10.748 11.210 1.00 33.45 H new ATOM 0 HB2 ASP A 90 -0.602 9.196 12.438 1.00 12.12 H new ATOM 0 HB3 ASP A 90 0.780 9.865 11.593 1.00 12.12 H new ATOM 1351 N GLY A 91 0.262 11.524 9.101 1.00 54.41 N ATOM 1352 CA GLY A 91 0.850 12.597 8.324 1.00 2.22 C ATOM 1353 C GLY A 91 0.069 12.886 7.051 1.00 21.13 C ATOM 1354 O GLY A 91 0.515 13.662 6.206 1.00 2.40 O ATOM 0 H GLY A 91 0.530 10.589 8.794 1.00 54.41 H new ATOM 0 HA2 GLY A 91 0.895 13.500 8.932 1.00 2.22 H new ATOM 0 HA3 GLY A 91 1.876 12.335 8.066 1.00 2.22 H new ATOM 1358 N GLY A 92 -1.074 12.232 6.905 1.00 20.21 N ATOM 1359 CA GLY A 92 -1.957 12.451 5.767 1.00 3.20 C ATOM 1360 C GLY A 92 -1.380 12.012 4.427 1.00 73.15 C ATOM 1361 O GLY A 92 -1.657 12.636 3.395 1.00 52.40 O ATOM 0 H GLY A 92 -1.415 11.537 7.569 1.00 20.21 H new ATOM 0 HA2 GLY A 92 -2.891 11.916 5.939 1.00 3.20 H new ATOM 0 HA3 GLY A 92 -2.203 13.512 5.713 1.00 3.20 H new ATOM 1365 N TYR A 93 -0.587 10.965 4.419 1.00 33.44 N ATOM 1366 CA TYR A 93 -0.009 10.487 3.180 1.00 44.13 C ATOM 1367 C TYR A 93 -0.925 9.542 2.448 1.00 64.31 C ATOM 1368 O TYR A 93 -1.493 8.625 3.040 1.00 41.02 O ATOM 1369 CB TYR A 93 1.381 9.891 3.377 1.00 22.34 C ATOM 1370 CG TYR A 93 2.440 10.946 3.548 1.00 71.52 C ATOM 1371 CD1 TYR A 93 2.724 11.495 4.787 1.00 13.13 C ATOM 1372 CD2 TYR A 93 3.146 11.412 2.449 1.00 2.23 C ATOM 1373 CE1 TYR A 93 3.683 12.474 4.924 1.00 44.23 C ATOM 1374 CE2 TYR A 93 4.104 12.388 2.577 1.00 63.40 C ATOM 1375 CZ TYR A 93 4.368 12.916 3.811 1.00 33.01 C ATOM 1376 OH TYR A 93 5.341 13.886 3.940 1.00 75.33 O ATOM 0 H TYR A 93 -0.328 10.431 5.248 1.00 33.44 H new ATOM 0 HA TYR A 93 0.113 11.364 2.545 1.00 44.13 H new ATOM 0 HB2 TYR A 93 1.374 9.242 4.253 1.00 22.34 H new ATOM 0 HB3 TYR A 93 1.630 9.266 2.519 1.00 22.34 H new ATOM 0 HD1 TYR A 93 2.186 11.151 5.658 1.00 13.13 H new ATOM 0 HD2 TYR A 93 2.938 10.999 1.473 1.00 2.23 H new ATOM 0 HE1 TYR A 93 3.897 12.893 5.896 1.00 44.23 H new ATOM 0 HE2 TYR A 93 4.645 12.736 1.709 1.00 63.40 H new ATOM 0 HH TYR A 93 6.139 13.496 4.353 1.00 75.33 H new ATOM 1386 N ARG A 94 -1.091 9.797 1.167 1.00 41.11 N ATOM 1387 CA ARG A 94 -1.959 8.999 0.316 1.00 61.13 C ATOM 1388 C ARG A 94 -1.337 7.640 0.013 1.00 72.05 C ATOM 1389 O ARG A 94 -0.127 7.419 0.228 1.00 34.45 O ATOM 1390 CB ARG A 94 -2.279 9.723 -1.014 1.00 62.22 C ATOM 1391 CG ARG A 94 -1.059 9.956 -1.888 1.00 32.53 C ATOM 1392 CD ARG A 94 -1.402 10.545 -3.239 1.00 60.33 C ATOM 1393 NE ARG A 94 -0.206 10.682 -4.086 1.00 73.53 N ATOM 1394 CZ ARG A 94 -0.170 10.546 -5.419 1.00 30.35 C ATOM 1395 NH1 ARG A 94 -1.274 10.238 -6.101 1.00 31.43 N ATOM 1396 NH2 ARG A 94 0.989 10.696 -6.052 1.00 75.45 N ATOM 0 H ARG A 94 -0.628 10.565 0.682 1.00 41.11 H new ATOM 0 HA ARG A 94 -2.888 8.853 0.867 1.00 61.13 H new ATOM 0 HB2 ARG A 94 -3.008 9.135 -1.572 1.00 62.22 H new ATOM 0 HB3 ARG A 94 -2.746 10.683 -0.792 1.00 62.22 H new ATOM 0 HG2 ARG A 94 -0.371 10.625 -1.371 1.00 32.53 H new ATOM 0 HG3 ARG A 94 -0.537 9.010 -2.032 1.00 32.53 H new ATOM 0 HD2 ARG A 94 -2.133 9.910 -3.739 1.00 60.33 H new ATOM 0 HD3 ARG A 94 -1.868 11.521 -3.104 1.00 60.33 H new ATOM 0 HE ARG A 94 0.673 10.900 -3.617 1.00 73.53 H new ATOM 0 HH11 ARG A 94 -2.157 10.104 -5.608 1.00 31.43 H new ATOM 0 HH12 ARG A 94 -1.235 10.137 -7.115 1.00 31.43 H new ATOM 0 HH21 ARG A 94 1.834 10.911 -5.524 1.00 75.45 H new ATOM 0 HH22 ARG A 94 1.033 10.596 -7.066 1.00 75.45 H new ATOM 1410 N ASP A 95 -2.149 6.801 -0.582 1.00 34.13 N ATOM 1411 CA ASP A 95 -1.844 5.414 -0.931 1.00 25.41 C ATOM 1412 C ASP A 95 -0.586 5.303 -1.784 1.00 45.12 C ATOM 1413 O ASP A 95 0.302 4.470 -1.519 1.00 31.11 O ATOM 1414 CB ASP A 95 -3.044 4.855 -1.720 1.00 21.22 C ATOM 1415 CG ASP A 95 -3.381 5.712 -2.927 1.00 54.31 C ATOM 1416 OD1 ASP A 95 -4.001 6.771 -2.744 1.00 23.31 O ATOM 1417 OD2 ASP A 95 -2.949 5.386 -4.053 1.00 43.13 O ATOM 0 H ASP A 95 -3.094 7.071 -0.855 1.00 34.13 H new ATOM 0 HA ASP A 95 -1.666 4.850 -0.015 1.00 25.41 H new ATOM 0 HB2 ASP A 95 -2.821 3.840 -2.047 1.00 21.22 H new ATOM 0 HB3 ASP A 95 -3.913 4.795 -1.064 1.00 21.22 H new ATOM 1422 N THR A 96 -0.500 6.165 -2.755 1.00 23.53 N ATOM 1423 CA THR A 96 0.562 6.195 -3.691 1.00 13.22 C ATOM 1424 C THR A 96 1.882 6.479 -2.994 1.00 11.24 C ATOM 1425 O THR A 96 2.891 5.832 -3.270 1.00 23.32 O ATOM 1426 CB THR A 96 0.274 7.280 -4.715 1.00 32.45 C ATOM 1427 OG1 THR A 96 -1.073 7.113 -5.230 1.00 72.54 O ATOM 1428 CG2 THR A 96 1.281 7.232 -5.852 1.00 1.51 C ATOM 0 H THR A 96 -1.200 6.890 -2.914 1.00 23.53 H new ATOM 0 HA THR A 96 0.640 5.225 -4.182 1.00 13.22 H new ATOM 0 HB THR A 96 0.359 8.253 -4.230 1.00 32.45 H new ATOM 0 HG1 THR A 96 -1.521 6.388 -4.746 1.00 72.54 H new ATOM 0 HG21 THR A 96 1.054 8.018 -6.572 1.00 1.51 H new ATOM 0 HG22 THR A 96 2.285 7.382 -5.455 1.00 1.51 H new ATOM 0 HG23 THR A 96 1.227 6.261 -6.345 1.00 1.51 H new ATOM 1436 N GLU A 97 1.856 7.417 -2.050 1.00 43.12 N ATOM 1437 CA GLU A 97 3.069 7.811 -1.366 1.00 30.43 C ATOM 1438 C GLU A 97 3.590 6.671 -0.523 1.00 2.33 C ATOM 1439 O GLU A 97 4.790 6.478 -0.428 1.00 61.31 O ATOM 1440 CB GLU A 97 2.884 9.058 -0.501 1.00 1.11 C ATOM 1441 CG GLU A 97 2.340 10.276 -1.234 1.00 23.22 C ATOM 1442 CD GLU A 97 3.110 10.664 -2.476 1.00 53.42 C ATOM 1443 OE1 GLU A 97 4.337 10.740 -2.437 1.00 53.23 O ATOM 1444 OE2 GLU A 97 2.459 10.939 -3.511 1.00 43.54 O ATOM 0 H GLU A 97 1.015 7.909 -1.749 1.00 43.12 H new ATOM 0 HA GLU A 97 3.797 8.061 -2.138 1.00 30.43 H new ATOM 0 HB2 GLU A 97 2.209 8.815 0.320 1.00 1.11 H new ATOM 0 HB3 GLU A 97 3.845 9.319 -0.057 1.00 1.11 H new ATOM 0 HG2 GLU A 97 1.304 10.083 -1.511 1.00 23.22 H new ATOM 0 HG3 GLU A 97 2.334 11.123 -0.548 1.00 23.22 H new ATOM 1451 N ILE A 98 2.670 5.879 0.048 1.00 44.13 N ATOM 1452 CA ILE A 98 3.056 4.760 0.916 1.00 42.51 C ATOM 1453 C ILE A 98 3.884 3.774 0.110 1.00 22.02 C ATOM 1454 O ILE A 98 4.976 3.381 0.499 1.00 74.34 O ATOM 1455 CB ILE A 98 1.821 3.954 1.441 1.00 32.33 C ATOM 1456 CG1 ILE A 98 0.695 4.842 1.976 1.00 21.13 C ATOM 1457 CG2 ILE A 98 2.241 2.969 2.507 1.00 74.02 C ATOM 1458 CD1 ILE A 98 1.111 5.858 2.996 1.00 2.44 C ATOM 0 H ILE A 98 1.664 5.992 -0.075 1.00 44.13 H new ATOM 0 HA ILE A 98 3.599 5.190 1.758 1.00 42.51 H new ATOM 0 HB ILE A 98 1.423 3.422 0.577 1.00 32.33 H new ATOM 0 HG12 ILE A 98 0.234 5.362 1.136 1.00 21.13 H new ATOM 0 HG13 ILE A 98 -0.072 4.204 2.415 1.00 21.13 H new ATOM 0 HG21 ILE A 98 1.368 2.419 2.859 1.00 74.02 H new ATOM 0 HG22 ILE A 98 2.967 2.270 2.091 1.00 74.02 H new ATOM 0 HG23 ILE A 98 2.692 3.506 3.342 1.00 74.02 H new ATOM 0 HD11 ILE A 98 0.241 6.435 3.311 1.00 2.44 H new ATOM 0 HD12 ILE A 98 1.542 5.351 3.859 1.00 2.44 H new ATOM 0 HD13 ILE A 98 1.853 6.528 2.561 1.00 2.44 H new ATOM 1470 N MET A 99 3.371 3.441 -1.052 1.00 21.31 N ATOM 1471 CA MET A 99 4.002 2.467 -1.922 1.00 22.11 C ATOM 1472 C MET A 99 5.226 3.039 -2.620 1.00 63.44 C ATOM 1473 O MET A 99 6.082 2.298 -3.089 1.00 3.14 O ATOM 1474 CB MET A 99 3.007 1.939 -2.952 1.00 72.21 C ATOM 1475 CG MET A 99 1.766 1.327 -2.342 1.00 53.31 C ATOM 1476 SD MET A 99 0.692 0.565 -3.563 1.00 12.25 S ATOM 1477 CE MET A 99 -0.724 0.196 -2.536 1.00 73.15 C ATOM 0 H MET A 99 2.506 3.835 -1.423 1.00 21.31 H new ATOM 0 HA MET A 99 4.334 1.641 -1.293 1.00 22.11 H new ATOM 0 HB2 MET A 99 2.712 2.756 -3.611 1.00 72.21 H new ATOM 0 HB3 MET A 99 3.502 1.192 -3.572 1.00 72.21 H new ATOM 0 HG2 MET A 99 2.060 0.579 -1.606 1.00 53.31 H new ATOM 0 HG3 MET A 99 1.211 2.098 -1.808 1.00 53.31 H new ATOM 0 HE1 MET A 99 -1.582 -0.033 -3.168 1.00 73.15 H new ATOM 0 HE2 MET A 99 -0.500 -0.663 -1.903 1.00 73.15 H new ATOM 0 HE3 MET A 99 -0.954 1.058 -1.910 1.00 73.15 H new ATOM 1487 N ARG A 100 5.312 4.354 -2.650 1.00 44.04 N ATOM 1488 CA ARG A 100 6.352 5.060 -3.369 1.00 0.30 C ATOM 1489 C ARG A 100 7.731 4.687 -2.823 1.00 52.15 C ATOM 1490 O ARG A 100 8.541 4.086 -3.523 1.00 25.23 O ATOM 1491 CB ARG A 100 6.087 6.551 -3.264 1.00 33.44 C ATOM 1492 CG ARG A 100 6.877 7.416 -4.201 1.00 72.13 C ATOM 1493 CD ARG A 100 6.430 8.854 -4.066 1.00 22.44 C ATOM 1494 NE ARG A 100 6.997 9.693 -5.105 1.00 22.30 N ATOM 1495 CZ ARG A 100 6.621 10.938 -5.368 1.00 21.11 C ATOM 1496 NH1 ARG A 100 5.702 11.546 -4.613 1.00 52.12 N ATOM 1497 NH2 ARG A 100 7.178 11.578 -6.387 1.00 13.31 N ATOM 0 H ARG A 100 4.654 4.969 -2.170 1.00 44.04 H new ATOM 0 HA ARG A 100 6.342 4.774 -4.421 1.00 0.30 H new ATOM 0 HB2 ARG A 100 5.026 6.727 -3.442 1.00 33.44 H new ATOM 0 HB3 ARG A 100 6.295 6.868 -2.242 1.00 33.44 H new ATOM 0 HG2 ARG A 100 7.941 7.333 -3.978 1.00 72.13 H new ATOM 0 HG3 ARG A 100 6.739 7.077 -5.228 1.00 72.13 H new ATOM 0 HD2 ARG A 100 5.342 8.903 -4.113 1.00 22.44 H new ATOM 0 HD3 ARG A 100 6.725 9.236 -3.089 1.00 22.44 H new ATOM 0 HE ARG A 100 7.742 9.295 -5.677 1.00 22.30 H new ATOM 0 HH11 ARG A 100 5.282 11.053 -3.825 1.00 52.12 H new ATOM 0 HH12 ARG A 100 5.420 12.503 -4.824 1.00 52.12 H new ATOM 0 HH21 ARG A 100 7.885 11.113 -6.956 1.00 13.31 H new ATOM 0 HH22 ARG A 100 6.899 12.535 -6.602 1.00 13.31 H new ATOM 1511 N TRP A 101 7.976 5.012 -1.577 1.00 64.12 N ATOM 1512 CA TRP A 101 9.234 4.652 -0.930 1.00 12.51 C ATOM 1513 C TRP A 101 9.350 3.139 -0.692 1.00 15.42 C ATOM 1514 O TRP A 101 10.435 2.578 -0.778 1.00 45.33 O ATOM 1515 CB TRP A 101 9.481 5.481 0.354 1.00 34.20 C ATOM 1516 CG TRP A 101 8.274 5.636 1.228 1.00 43.42 C ATOM 1517 CD1 TRP A 101 7.396 6.672 1.204 1.00 23.22 C ATOM 1518 CD2 TRP A 101 7.808 4.745 2.246 1.00 54.33 C ATOM 1519 NE1 TRP A 101 6.405 6.474 2.120 1.00 22.25 N ATOM 1520 CE2 TRP A 101 6.635 5.300 2.776 1.00 4.03 C ATOM 1521 CE3 TRP A 101 8.259 3.530 2.752 1.00 25.24 C ATOM 1522 CZ2 TRP A 101 5.914 4.686 3.784 1.00 73.43 C ATOM 1523 CZ3 TRP A 101 7.542 2.925 3.753 1.00 62.13 C ATOM 1524 CH2 TRP A 101 6.377 3.499 4.257 1.00 42.44 C ATOM 0 H TRP A 101 7.326 5.526 -0.982 1.00 64.12 H new ATOM 0 HA TRP A 101 10.035 4.911 -1.622 1.00 12.51 H new ATOM 0 HB2 TRP A 101 10.275 5.007 0.931 1.00 34.20 H new ATOM 0 HB3 TRP A 101 9.840 6.470 0.071 1.00 34.20 H new ATOM 0 HD1 TRP A 101 7.472 7.530 0.553 1.00 23.22 H new ATOM 0 HE1 TRP A 101 5.619 7.102 2.288 1.00 22.25 H new ATOM 0 HE3 TRP A 101 9.157 3.072 2.364 1.00 25.24 H new ATOM 0 HZ2 TRP A 101 5.015 5.134 4.181 1.00 73.43 H new ATOM 0 HZ3 TRP A 101 7.887 1.985 4.158 1.00 62.13 H new ATOM 0 HH2 TRP A 101 5.831 2.991 5.038 1.00 42.44 H new ATOM 1535 N LEU A 102 8.213 2.491 -0.437 1.00 31.22 N ATOM 1536 CA LEU A 102 8.159 1.048 -0.168 1.00 21.12 C ATOM 1537 C LEU A 102 8.685 0.186 -1.309 1.00 12.10 C ATOM 1538 O LEU A 102 9.354 -0.827 -1.074 1.00 51.23 O ATOM 1539 CB LEU A 102 6.736 0.606 0.181 1.00 74.34 C ATOM 1540 CG LEU A 102 6.330 0.623 1.644 1.00 54.21 C ATOM 1541 CD1 LEU A 102 4.867 0.257 1.783 1.00 45.14 C ATOM 1542 CD2 LEU A 102 7.174 -0.355 2.425 1.00 73.42 C ATOM 0 H LEU A 102 7.302 2.949 -0.410 1.00 31.22 H new ATOM 0 HA LEU A 102 8.822 0.893 0.683 1.00 21.12 H new ATOM 0 HB2 LEU A 102 6.043 1.244 -0.367 1.00 74.34 H new ATOM 0 HB3 LEU A 102 6.599 -0.408 -0.193 1.00 74.34 H new ATOM 0 HG LEU A 102 6.486 1.627 2.039 1.00 54.21 H new ATOM 0 HD11 LEU A 102 4.587 0.272 2.836 1.00 45.14 H new ATOM 0 HD12 LEU A 102 4.258 0.976 1.235 1.00 45.14 H new ATOM 0 HD13 LEU A 102 4.702 -0.741 1.378 1.00 45.14 H new ATOM 0 HD21 LEU A 102 6.876 -0.336 3.473 1.00 73.42 H new ATOM 0 HD22 LEU A 102 7.032 -1.359 2.025 1.00 73.42 H new ATOM 0 HD23 LEU A 102 8.225 -0.077 2.341 1.00 73.42 H new ATOM 1554 N PHE A 103 8.377 0.553 -2.519 1.00 72.43 N ATOM 1555 CA PHE A 103 8.783 -0.253 -3.651 1.00 35.01 C ATOM 1556 C PHE A 103 10.073 0.224 -4.285 1.00 12.30 C ATOM 1557 O PHE A 103 10.559 -0.380 -5.239 1.00 33.21 O ATOM 1558 CB PHE A 103 7.659 -0.372 -4.676 1.00 44.31 C ATOM 1559 CG PHE A 103 6.502 -1.213 -4.198 1.00 13.31 C ATOM 1560 CD1 PHE A 103 5.483 -0.669 -3.438 1.00 51.12 C ATOM 1561 CD2 PHE A 103 6.443 -2.550 -4.511 1.00 34.45 C ATOM 1562 CE1 PHE A 103 4.430 -1.443 -3.007 1.00 41.23 C ATOM 1563 CE2 PHE A 103 5.393 -3.328 -4.083 1.00 61.45 C ATOM 1564 CZ PHE A 103 4.383 -2.771 -3.331 1.00 35.24 C ATOM 0 H PHE A 103 7.852 1.395 -2.754 1.00 72.43 H new ATOM 0 HA PHE A 103 8.991 -1.250 -3.263 1.00 35.01 H new ATOM 0 HB2 PHE A 103 7.296 0.625 -4.924 1.00 44.31 H new ATOM 0 HB3 PHE A 103 8.058 -0.804 -5.594 1.00 44.31 H new ATOM 0 HD1 PHE A 103 5.514 0.379 -3.179 1.00 51.12 H new ATOM 0 HD2 PHE A 103 7.231 -2.995 -5.100 1.00 34.45 H new ATOM 0 HE1 PHE A 103 3.642 -1.003 -2.414 1.00 41.23 H new ATOM 0 HE2 PHE A 103 5.361 -4.377 -4.337 1.00 61.45 H new ATOM 0 HZ PHE A 103 3.556 -3.381 -2.998 1.00 35.24 H new ATOM 1574 N THR A 104 10.606 1.304 -3.784 1.00 41.22 N ATOM 1575 CA THR A 104 11.870 1.805 -4.252 1.00 31.25 C ATOM 1576 C THR A 104 13.029 1.162 -3.452 1.00 41.11 C ATOM 1577 O THR A 104 13.188 1.440 -2.255 1.00 60.20 O ATOM 1578 CB THR A 104 11.914 3.346 -4.154 1.00 43.41 C ATOM 1579 OG1 THR A 104 10.800 3.888 -4.894 1.00 10.35 O ATOM 1580 CG2 THR A 104 13.209 3.895 -4.747 1.00 52.51 C ATOM 0 H THR A 104 10.179 1.860 -3.043 1.00 41.22 H new ATOM 0 HA THR A 104 11.988 1.534 -5.301 1.00 31.25 H new ATOM 0 HB THR A 104 11.862 3.632 -3.103 1.00 43.41 H new ATOM 0 HG1 THR A 104 9.967 3.707 -4.411 1.00 10.35 H new ATOM 0 HG21 THR A 104 13.214 4.982 -4.665 1.00 52.51 H new ATOM 0 HG22 THR A 104 14.060 3.486 -4.203 1.00 52.51 H new ATOM 0 HG23 THR A 104 13.278 3.610 -5.797 1.00 52.51 H new ATOM 1588 N PRO A 105 13.831 0.272 -4.085 1.00 41.12 N ATOM 1589 CA PRO A 105 14.968 -0.388 -3.426 1.00 53.10 C ATOM 1590 C PRO A 105 15.996 0.625 -2.930 1.00 75.05 C ATOM 1591 O PRO A 105 16.203 1.682 -3.557 1.00 42.05 O ATOM 1592 CB PRO A 105 15.576 -1.250 -4.540 1.00 74.51 C ATOM 1593 CG PRO A 105 14.473 -1.442 -5.510 1.00 44.33 C ATOM 1594 CD PRO A 105 13.700 -0.161 -5.490 1.00 35.23 C ATOM 0 HA PRO A 105 14.661 -0.957 -2.548 1.00 53.10 H new ATOM 0 HB2 PRO A 105 16.429 -0.755 -5.003 1.00 74.51 H new ATOM 0 HB3 PRO A 105 15.933 -2.204 -4.152 1.00 74.51 H new ATOM 0 HG2 PRO A 105 14.859 -1.653 -6.507 1.00 44.33 H new ATOM 0 HG3 PRO A 105 13.843 -2.286 -5.227 1.00 44.33 H new ATOM 0 HD2 PRO A 105 14.114 0.573 -6.181 1.00 35.23 H new ATOM 0 HD3 PRO A 105 12.658 -0.312 -5.772 1.00 35.23 H new ATOM 1602 N ASP A 106 16.608 0.343 -1.811 1.00 71.32 N ATOM 1603 CA ASP A 106 17.608 1.244 -1.256 1.00 63.11 C ATOM 1604 C ASP A 106 18.990 0.640 -1.428 1.00 34.51 C ATOM 1605 O ASP A 106 19.235 -0.479 -0.980 1.00 23.41 O ATOM 1606 CB ASP A 106 17.334 1.537 0.220 1.00 5.53 C ATOM 1607 CG ASP A 106 18.313 2.523 0.832 1.00 25.25 C ATOM 1608 OD1 ASP A 106 19.457 2.156 1.120 1.00 43.12 O ATOM 1609 OD2 ASP A 106 17.939 3.683 1.091 1.00 5.01 O ATOM 0 H ASP A 106 16.439 -0.499 -1.260 1.00 71.32 H new ATOM 0 HA ASP A 106 17.557 2.190 -1.795 1.00 63.11 H new ATOM 0 HB2 ASP A 106 16.322 1.930 0.323 1.00 5.53 H new ATOM 0 HB3 ASP A 106 17.372 0.603 0.781 1.00 5.53 H new ATOM 1614 N PRO A 107 19.908 1.370 -2.078 1.00 44.14 N ATOM 1615 CA PRO A 107 21.269 0.891 -2.379 1.00 34.30 C ATOM 1616 C PRO A 107 22.107 0.538 -1.144 1.00 10.45 C ATOM 1617 O PRO A 107 23.011 -0.304 -1.214 1.00 65.34 O ATOM 1618 CB PRO A 107 21.906 2.066 -3.133 1.00 14.42 C ATOM 1619 CG PRO A 107 21.093 3.249 -2.761 1.00 54.42 C ATOM 1620 CD PRO A 107 19.700 2.742 -2.574 1.00 51.41 C ATOM 0 HA PRO A 107 21.228 -0.042 -2.941 1.00 34.30 H new ATOM 0 HB2 PRO A 107 22.949 2.199 -2.847 1.00 14.42 H new ATOM 0 HB3 PRO A 107 21.889 1.899 -4.210 1.00 14.42 H new ATOM 0 HG2 PRO A 107 21.468 3.709 -1.847 1.00 54.42 H new ATOM 0 HG3 PRO A 107 21.131 4.010 -3.540 1.00 54.42 H new ATOM 0 HD2 PRO A 107 19.143 3.349 -1.860 1.00 51.41 H new ATOM 0 HD3 PRO A 107 19.138 2.752 -3.508 1.00 51.41 H new ATOM 1628 N SER A 108 21.793 1.150 -0.025 1.00 24.42 N ATOM 1629 CA SER A 108 22.561 0.981 1.178 1.00 41.04 C ATOM 1630 C SER A 108 21.846 0.031 2.131 1.00 24.43 C ATOM 1631 O SER A 108 22.329 -0.247 3.232 1.00 0.43 O ATOM 1632 CB SER A 108 22.720 2.343 1.842 1.00 74.21 C ATOM 1633 OG SER A 108 23.125 3.315 0.889 1.00 52.22 O ATOM 0 H SER A 108 20.996 1.779 0.072 1.00 24.42 H new ATOM 0 HA SER A 108 23.537 0.560 0.935 1.00 41.04 H new ATOM 0 HB2 SER A 108 21.777 2.644 2.299 1.00 74.21 H new ATOM 0 HB3 SER A 108 23.457 2.280 2.643 1.00 74.21 H new ATOM 0 HG SER A 108 23.221 4.185 1.330 1.00 52.22 H new ATOM 1639 N LEU A 109 20.718 -0.475 1.702 1.00 1.24 N ATOM 1640 CA LEU A 109 19.917 -1.320 2.531 1.00 63.10 C ATOM 1641 C LEU A 109 20.124 -2.763 2.134 1.00 23.25 C ATOM 1642 O LEU A 109 20.083 -3.113 0.949 1.00 23.41 O ATOM 1643 CB LEU A 109 18.455 -0.931 2.373 1.00 63.51 C ATOM 1644 CG LEU A 109 17.457 -1.618 3.282 1.00 1.24 C ATOM 1645 CD1 LEU A 109 17.742 -1.285 4.728 1.00 1.11 C ATOM 1646 CD2 LEU A 109 16.038 -1.232 2.906 1.00 12.04 C ATOM 0 H LEU A 109 20.335 -0.310 0.771 1.00 1.24 H new ATOM 0 HA LEU A 109 20.208 -1.201 3.575 1.00 63.10 H new ATOM 0 HB2 LEU A 109 18.372 0.144 2.531 1.00 63.51 H new ATOM 0 HB3 LEU A 109 18.163 -1.125 1.341 1.00 63.51 H new ATOM 0 HG LEU A 109 17.558 -2.696 3.155 1.00 1.24 H new ATOM 0 HD11 LEU A 109 17.015 -1.787 5.367 1.00 1.11 H new ATOM 0 HD12 LEU A 109 18.746 -1.620 4.987 1.00 1.11 H new ATOM 0 HD13 LEU A 109 17.670 -0.207 4.874 1.00 1.11 H new ATOM 0 HD21 LEU A 109 15.336 -1.736 3.570 1.00 12.04 H new ATOM 0 HD22 LEU A 109 15.917 -0.153 3.001 1.00 12.04 H new ATOM 0 HD23 LEU A 109 15.841 -1.530 1.876 1.00 12.04 H new ATOM 1658 N THR A 110 20.379 -3.580 3.102 1.00 12.33 N ATOM 1659 CA THR A 110 20.611 -4.970 2.887 1.00 31.22 C ATOM 1660 C THR A 110 19.691 -5.773 3.812 1.00 63.52 C ATOM 1661 O THR A 110 19.849 -5.779 5.036 1.00 12.53 O ATOM 1662 CB THR A 110 22.091 -5.295 3.135 1.00 12.13 C ATOM 1663 OG1 THR A 110 22.898 -4.374 2.368 1.00 52.40 O ATOM 1664 CG2 THR A 110 22.410 -6.704 2.688 1.00 62.44 C ATOM 0 H THR A 110 20.433 -3.296 4.080 1.00 12.33 H new ATOM 0 HA THR A 110 20.385 -5.239 1.855 1.00 31.22 H new ATOM 0 HB THR A 110 22.301 -5.206 4.201 1.00 12.13 H new ATOM 0 HG1 THR A 110 23.847 -4.568 2.517 1.00 52.40 H new ATOM 0 HG21 THR A 110 23.463 -6.914 2.872 1.00 62.44 H new ATOM 0 HG22 THR A 110 21.796 -7.411 3.246 1.00 62.44 H new ATOM 0 HG23 THR A 110 22.201 -6.804 1.623 1.00 62.44 H new ATOM 1672 N ILE A 111 18.735 -6.425 3.216 1.00 65.02 N ATOM 1673 CA ILE A 111 17.675 -7.113 3.921 1.00 52.45 C ATOM 1674 C ILE A 111 17.655 -8.579 3.521 1.00 33.04 C ATOM 1675 O ILE A 111 18.021 -8.924 2.415 1.00 41.24 O ATOM 1676 CB ILE A 111 16.327 -6.448 3.516 1.00 74.24 C ATOM 1677 CG1 ILE A 111 16.281 -4.978 3.912 1.00 14.41 C ATOM 1678 CG2 ILE A 111 15.091 -7.181 3.989 1.00 2.55 C ATOM 1679 CD1 ILE A 111 16.308 -4.724 5.412 1.00 5.14 C ATOM 0 H ILE A 111 18.663 -6.499 2.201 1.00 65.02 H new ATOM 0 HA ILE A 111 17.831 -7.047 4.998 1.00 52.45 H new ATOM 0 HB ILE A 111 16.303 -6.518 2.429 1.00 74.24 H new ATOM 0 HG12 ILE A 111 17.128 -4.466 3.455 1.00 14.41 H new ATOM 0 HG13 ILE A 111 15.377 -4.532 3.498 1.00 14.41 H new ATOM 0 HG21 ILE A 111 14.201 -6.644 3.660 1.00 2.55 H new ATOM 0 HG22 ILE A 111 15.083 -8.188 3.571 1.00 2.55 H new ATOM 0 HG23 ILE A 111 15.097 -7.240 5.077 1.00 2.55 H new ATOM 0 HD11 ILE A 111 16.272 -3.651 5.600 1.00 5.14 H new ATOM 0 HD12 ILE A 111 15.447 -5.203 5.878 1.00 5.14 H new ATOM 0 HD13 ILE A 111 17.225 -5.136 5.834 1.00 5.14 H new ATOM 1805 N VAL A 120 20.086 -9.607 0.857 1.00 45.20 N ATOM 1806 CA VAL A 120 19.937 -8.965 -0.414 1.00 73.40 C ATOM 1807 C VAL A 120 20.204 -7.480 -0.261 1.00 42.24 C ATOM 1808 O VAL A 120 19.532 -6.794 0.525 1.00 61.01 O ATOM 1809 CB VAL A 120 18.498 -9.180 -0.977 1.00 3.33 C ATOM 1810 CG1 VAL A 120 18.327 -8.511 -2.332 1.00 34.41 C ATOM 1811 CG2 VAL A 120 18.166 -10.667 -1.074 1.00 0.22 C ATOM 0 HA VAL A 120 20.651 -9.402 -1.112 1.00 73.40 H new ATOM 0 HB VAL A 120 17.802 -8.714 -0.279 1.00 3.33 H new ATOM 0 HG11 VAL A 120 17.314 -8.680 -2.696 1.00 34.41 H new ATOM 0 HG12 VAL A 120 18.503 -7.440 -2.234 1.00 34.41 H new ATOM 0 HG13 VAL A 120 19.041 -8.933 -3.039 1.00 34.41 H new ATOM 0 HG21 VAL A 120 17.158 -10.790 -1.469 1.00 0.22 H new ATOM 0 HG22 VAL A 120 18.878 -11.156 -1.739 1.00 0.22 H new ATOM 0 HG23 VAL A 120 18.225 -11.118 -0.084 1.00 0.22 H new ATOM 1821 N SER A 121 21.202 -7.004 -0.948 1.00 4.21 N ATOM 1822 CA SER A 121 21.503 -5.606 -0.974 1.00 51.20 C ATOM 1823 C SER A 121 20.592 -4.981 -2.019 1.00 1.04 C ATOM 1824 O SER A 121 20.224 -5.656 -2.992 1.00 61.15 O ATOM 1825 CB SER A 121 22.986 -5.396 -1.328 1.00 44.21 C ATOM 1826 OG SER A 121 23.365 -4.031 -1.222 1.00 10.14 O ATOM 0 H SER A 121 21.831 -7.579 -1.508 1.00 4.21 H new ATOM 0 HA SER A 121 21.336 -5.141 -0.002 1.00 51.20 H new ATOM 0 HB2 SER A 121 23.607 -5.998 -0.665 1.00 44.21 H new ATOM 0 HB3 SER A 121 23.171 -5.747 -2.343 1.00 44.21 H new ATOM 0 HG SER A 121 24.313 -3.936 -1.452 1.00 10.14 H new ATOM 1832 N ASN A 122 20.211 -3.721 -1.812 1.00 64.03 N ATOM 1833 CA ASN A 122 19.288 -2.996 -2.684 1.00 73.32 C ATOM 1834 C ASN A 122 17.920 -3.625 -2.586 1.00 22.45 C ATOM 1835 O ASN A 122 17.227 -3.781 -3.587 1.00 75.31 O ATOM 1836 CB ASN A 122 19.732 -2.981 -4.165 1.00 43.44 C ATOM 1837 CG ASN A 122 21.093 -2.391 -4.416 1.00 23.43 C ATOM 1838 OD1 ASN A 122 21.238 -1.184 -4.617 1.00 21.45 O ATOM 1839 ND2 ASN A 122 22.091 -3.226 -4.456 1.00 72.30 N ATOM 0 H ASN A 122 20.540 -3.167 -1.021 1.00 64.03 H new ATOM 0 HA ASN A 122 19.275 -1.960 -2.344 1.00 73.32 H new ATOM 0 HB2 ASN A 122 19.721 -4.004 -4.542 1.00 43.44 H new ATOM 0 HB3 ASN A 122 18.997 -2.420 -4.743 1.00 43.44 H new ATOM 0 HD21 ASN A 122 23.031 -2.887 -4.659 1.00 72.30 H new ATOM 0 HD22 ASN A 122 21.932 -4.219 -4.284 1.00 72.30 H new ATOM 1846 N ALA A 123 17.518 -3.984 -1.383 1.00 61.14 N ATOM 1847 CA ALA A 123 16.249 -4.622 -1.202 1.00 11.53 C ATOM 1848 C ALA A 123 15.134 -3.594 -1.141 1.00 63.35 C ATOM 1849 O ALA A 123 15.355 -2.436 -0.742 1.00 25.31 O ATOM 1850 CB ALA A 123 16.261 -5.473 0.053 1.00 40.04 C ATOM 0 H ALA A 123 18.055 -3.842 -0.527 1.00 61.14 H new ATOM 0 HA ALA A 123 16.065 -5.271 -2.058 1.00 11.53 H new ATOM 0 HB1 ALA A 123 15.290 -5.952 0.177 1.00 40.04 H new ATOM 0 HB2 ALA A 123 17.034 -6.237 -0.033 1.00 40.04 H new ATOM 0 HB3 ALA A 123 16.468 -4.843 0.918 1.00 40.04 H new ATOM 1856 N ARG A 124 13.965 -4.001 -1.575 1.00 11.41 N ATOM 1857 CA ARG A 124 12.783 -3.169 -1.493 1.00 31.03 C ATOM 1858 C ARG A 124 12.221 -3.253 -0.063 1.00 44.21 C ATOM 1859 O ARG A 124 12.034 -4.358 0.468 1.00 21.30 O ATOM 1860 CB ARG A 124 11.727 -3.597 -2.554 1.00 71.54 C ATOM 1861 CG ARG A 124 11.335 -5.065 -2.477 1.00 30.44 C ATOM 1862 CD ARG A 124 10.340 -5.484 -3.553 1.00 3.11 C ATOM 1863 NE ARG A 124 10.062 -6.923 -3.449 1.00 75.35 N ATOM 1864 CZ ARG A 124 9.278 -7.652 -4.257 1.00 10.35 C ATOM 1865 NH1 ARG A 124 8.568 -7.077 -5.215 1.00 55.35 N ATOM 1866 NH2 ARG A 124 9.195 -8.965 -4.072 1.00 43.32 N ATOM 0 H ARG A 124 13.804 -4.917 -1.995 1.00 11.41 H new ATOM 0 HA ARG A 124 13.043 -2.133 -1.712 1.00 31.03 H new ATOM 0 HB2 ARG A 124 10.833 -2.986 -2.430 1.00 71.54 H new ATOM 0 HB3 ARG A 124 12.121 -3.388 -3.549 1.00 71.54 H new ATOM 0 HG2 ARG A 124 12.232 -5.678 -2.564 1.00 30.44 H new ATOM 0 HG3 ARG A 124 10.905 -5.267 -1.496 1.00 30.44 H new ATOM 0 HD2 ARG A 124 9.415 -4.918 -3.444 1.00 3.11 H new ATOM 0 HD3 ARG A 124 10.741 -5.253 -4.540 1.00 3.11 H new ATOM 0 HE ARG A 124 10.513 -7.420 -2.681 1.00 75.35 H new ATOM 0 HH11 ARG A 124 8.613 -6.066 -5.346 1.00 55.35 H new ATOM 0 HH12 ARG A 124 7.976 -7.644 -5.822 1.00 55.35 H new ATOM 0 HH21 ARG A 124 9.724 -9.409 -3.321 1.00 43.32 H new ATOM 0 HH22 ARG A 124 8.602 -9.529 -4.680 1.00 43.32 H new ATOM 1880 N PRO A 125 11.978 -2.091 0.592 1.00 3.54 N ATOM 1881 CA PRO A 125 11.471 -2.012 1.986 1.00 75.44 C ATOM 1882 C PRO A 125 10.231 -2.890 2.285 1.00 73.40 C ATOM 1883 O PRO A 125 10.004 -3.269 3.437 1.00 73.22 O ATOM 1884 CB PRO A 125 11.124 -0.536 2.145 1.00 60.21 C ATOM 1885 CG PRO A 125 12.072 0.162 1.244 1.00 61.32 C ATOM 1886 CD PRO A 125 12.239 -0.735 0.048 1.00 0.35 C ATOM 0 HA PRO A 125 12.218 -2.391 2.683 1.00 75.44 H new ATOM 0 HB2 PRO A 125 10.089 -0.338 1.864 1.00 60.21 H new ATOM 0 HB3 PRO A 125 11.242 -0.208 3.178 1.00 60.21 H new ATOM 0 HG2 PRO A 125 11.685 1.138 0.950 1.00 61.32 H new ATOM 0 HG3 PRO A 125 13.027 0.334 1.740 1.00 61.32 H new ATOM 0 HD2 PRO A 125 11.538 -0.479 -0.746 1.00 0.35 H new ATOM 0 HD3 PRO A 125 13.241 -0.658 -0.374 1.00 0.35 H new ATOM 1894 N VAL A 126 9.451 -3.224 1.260 1.00 4.22 N ATOM 1895 CA VAL A 126 8.278 -4.092 1.435 1.00 12.40 C ATOM 1896 C VAL A 126 8.704 -5.467 1.975 1.00 35.22 C ATOM 1897 O VAL A 126 8.064 -6.031 2.857 1.00 63.15 O ATOM 1898 CB VAL A 126 7.491 -4.295 0.113 1.00 31.33 C ATOM 1899 CG1 VAL A 126 6.275 -5.168 0.344 1.00 71.55 C ATOM 1900 CG2 VAL A 126 7.057 -2.974 -0.470 1.00 74.12 C ATOM 0 H VAL A 126 9.605 -2.911 0.301 1.00 4.22 H new ATOM 0 HA VAL A 126 7.624 -3.591 2.149 1.00 12.40 H new ATOM 0 HB VAL A 126 8.159 -4.788 -0.594 1.00 31.33 H new ATOM 0 HG11 VAL A 126 5.737 -5.298 -0.595 1.00 71.55 H new ATOM 0 HG12 VAL A 126 6.592 -6.141 0.719 1.00 71.55 H new ATOM 0 HG13 VAL A 126 5.620 -4.694 1.075 1.00 71.55 H new ATOM 0 HG21 VAL A 126 6.508 -3.148 -1.396 1.00 74.12 H new ATOM 0 HG22 VAL A 126 6.414 -2.456 0.242 1.00 74.12 H new ATOM 0 HG23 VAL A 126 7.935 -2.362 -0.678 1.00 74.12 H new ATOM 1910 N ASP A 127 9.818 -5.962 1.486 1.00 53.44 N ATOM 1911 CA ASP A 127 10.310 -7.263 1.916 1.00 13.44 C ATOM 1912 C ASP A 127 10.797 -7.216 3.338 1.00 32.41 C ATOM 1913 O ASP A 127 10.697 -8.195 4.075 1.00 23.44 O ATOM 1914 CB ASP A 127 11.389 -7.821 0.987 1.00 64.42 C ATOM 1915 CG ASP A 127 10.819 -8.385 -0.293 1.00 10.12 C ATOM 1916 OD1 ASP A 127 9.898 -9.220 -0.224 1.00 74.21 O ATOM 1917 OD2 ASP A 127 11.267 -8.007 -1.382 1.00 4.25 O ATOM 0 H ASP A 127 10.402 -5.492 0.794 1.00 53.44 H new ATOM 0 HA ASP A 127 9.464 -7.948 1.864 1.00 13.44 H new ATOM 0 HB2 ASP A 127 12.100 -7.031 0.746 1.00 64.42 H new ATOM 0 HB3 ASP A 127 11.944 -8.601 1.508 1.00 64.42 H new ATOM 1922 N ALA A 128 11.287 -6.060 3.736 1.00 22.45 N ATOM 1923 CA ALA A 128 11.787 -5.858 5.074 1.00 2.34 C ATOM 1924 C ALA A 128 10.669 -5.988 6.106 1.00 73.11 C ATOM 1925 O ALA A 128 10.821 -6.692 7.097 1.00 62.22 O ATOM 1926 CB ALA A 128 12.479 -4.507 5.192 1.00 35.04 C ATOM 0 H ALA A 128 11.348 -5.236 3.138 1.00 22.45 H new ATOM 0 HA ALA A 128 12.521 -6.637 5.279 1.00 2.34 H new ATOM 0 HB1 ALA A 128 12.849 -4.375 6.209 1.00 35.04 H new ATOM 0 HB2 ALA A 128 13.315 -4.464 4.494 1.00 35.04 H new ATOM 0 HB3 ALA A 128 11.770 -3.713 4.958 1.00 35.04 H new ATOM 1932 N LEU A 129 9.533 -5.352 5.851 1.00 3.14 N ATOM 1933 CA LEU A 129 8.409 -5.386 6.795 1.00 5.23 C ATOM 1934 C LEU A 129 7.865 -6.801 6.958 1.00 74.20 C ATOM 1935 O LEU A 129 7.547 -7.227 8.076 1.00 63.35 O ATOM 1936 CB LEU A 129 7.308 -4.368 6.402 1.00 43.33 C ATOM 1937 CG LEU A 129 6.589 -4.595 5.071 1.00 32.22 C ATOM 1938 CD1 LEU A 129 5.393 -5.515 5.238 1.00 54.04 C ATOM 1939 CD2 LEU A 129 6.194 -3.286 4.425 1.00 54.15 C ATOM 0 H LEU A 129 9.360 -4.808 5.006 1.00 3.14 H new ATOM 0 HA LEU A 129 8.782 -5.079 7.772 1.00 5.23 H new ATOM 0 HB2 LEU A 129 6.559 -4.359 7.193 1.00 43.33 H new ATOM 0 HB3 LEU A 129 7.758 -3.376 6.378 1.00 43.33 H new ATOM 0 HG LEU A 129 7.291 -5.090 4.400 1.00 32.22 H new ATOM 0 HD11 LEU A 129 4.905 -5.655 4.274 1.00 54.04 H new ATOM 0 HD12 LEU A 129 5.727 -6.480 5.620 1.00 54.04 H new ATOM 0 HD13 LEU A 129 4.688 -5.071 5.941 1.00 54.04 H new ATOM 0 HD21 LEU A 129 5.686 -3.485 3.482 1.00 54.15 H new ATOM 0 HD22 LEU A 129 5.525 -2.740 5.090 1.00 54.15 H new ATOM 0 HD23 LEU A 129 7.086 -2.689 4.237 1.00 54.15 H new ATOM 1951 N HIS A 130 7.839 -7.540 5.854 1.00 24.12 N ATOM 1952 CA HIS A 130 7.337 -8.906 5.841 1.00 43.14 C ATOM 1953 C HIS A 130 8.286 -9.796 6.619 1.00 63.55 C ATOM 1954 O HIS A 130 7.870 -10.692 7.352 1.00 21.12 O ATOM 1955 CB HIS A 130 7.227 -9.420 4.388 1.00 63.22 C ATOM 1956 CG HIS A 130 6.595 -10.787 4.251 1.00 73.32 C ATOM 1957 ND1 HIS A 130 7.280 -11.991 4.362 1.00 10.51 N ATOM 1958 CD2 HIS A 130 5.310 -11.120 4.009 1.00 40.13 C ATOM 1959 CE1 HIS A 130 6.407 -12.978 4.184 1.00 2.22 C ATOM 1960 NE2 HIS A 130 5.195 -12.511 3.969 1.00 11.32 N ATOM 0 H HIS A 130 8.165 -7.208 4.946 1.00 24.12 H new ATOM 0 HA HIS A 130 6.349 -8.927 6.300 1.00 43.14 H new ATOM 0 HB2 HIS A 130 6.645 -8.705 3.806 1.00 63.22 H new ATOM 0 HB3 HIS A 130 8.225 -9.450 3.950 1.00 63.22 H new ATOM 0 HD1 HIS A 130 8.277 -12.099 4.547 1.00 10.51 H new ATOM 0 HD2 HIS A 130 4.499 -10.421 3.868 1.00 40.13 H new ATOM 0 HE1 HIS A 130 6.660 -14.028 4.212 1.00 2.22 H new ATOM 1968 N ALA A 131 9.553 -9.507 6.493 1.00 55.23 N ATOM 1969 CA ALA A 131 10.597 -10.325 7.096 1.00 74.13 C ATOM 1970 C ALA A 131 10.999 -9.838 8.503 1.00 41.13 C ATOM 1971 O ALA A 131 12.096 -10.146 8.987 1.00 51.43 O ATOM 1972 CB ALA A 131 11.791 -10.392 6.168 1.00 33.24 C ATOM 0 H ALA A 131 9.901 -8.702 5.973 1.00 55.23 H new ATOM 0 HA ALA A 131 10.196 -11.329 7.234 1.00 74.13 H new ATOM 0 HB1 ALA A 131 12.570 -11.004 6.621 1.00 33.24 H new ATOM 0 HB2 ALA A 131 11.489 -10.833 5.218 1.00 33.24 H new ATOM 0 HB3 ALA A 131 12.174 -9.386 5.995 1.00 33.24 H new ATOM 1978 N HIS A 132 10.099 -9.079 9.139 1.00 64.21 N ATOM 1979 CA HIS A 132 10.231 -8.602 10.545 1.00 20.15 C ATOM 1980 C HIS A 132 11.441 -7.629 10.704 1.00 64.12 C ATOM 1981 O HIS A 132 11.979 -7.420 11.774 1.00 22.31 O ATOM 1982 CB HIS A 132 10.325 -9.835 11.503 1.00 51.42 C ATOM 1983 CG HIS A 132 10.072 -9.557 12.966 1.00 20.15 C ATOM 1984 ND1 HIS A 132 8.834 -9.680 13.563 1.00 53.31 N ATOM 1985 CD2 HIS A 132 10.922 -9.189 13.953 1.00 41.20 C ATOM 1986 CE1 HIS A 132 8.959 -9.390 14.855 1.00 70.40 C ATOM 1987 NE2 HIS A 132 10.216 -9.083 15.149 1.00 0.34 N ATOM 0 H HIS A 132 9.237 -8.766 8.693 1.00 64.21 H new ATOM 0 HA HIS A 132 9.346 -8.027 10.816 1.00 20.15 H new ATOM 0 HB2 HIS A 132 9.610 -10.586 11.167 1.00 51.42 H new ATOM 0 HB3 HIS A 132 11.318 -10.273 11.403 1.00 51.42 H new ATOM 0 HD2 HIS A 132 11.980 -9.007 13.832 1.00 41.20 H new ATOM 0 HE1 HIS A 132 8.148 -9.403 15.568 1.00 70.40 H new ATOM 0 HE2 HIS A 132 10.588 -8.823 16.062 1.00 0.34 H new ATOM 1995 N GLN A 133 11.757 -6.968 9.632 1.00 4.31 N ATOM 1996 CA GLN A 133 12.815 -5.961 9.567 1.00 54.32 C ATOM 1997 C GLN A 133 12.151 -4.607 9.384 1.00 21.25 C ATOM 1998 O GLN A 133 12.735 -3.633 8.906 1.00 43.35 O ATOM 1999 CB GLN A 133 13.783 -6.297 8.444 1.00 10.45 C ATOM 2000 CG GLN A 133 14.598 -7.546 8.735 1.00 62.24 C ATOM 2001 CD GLN A 133 15.286 -8.081 7.518 1.00 33.00 C ATOM 2002 OE1 GLN A 133 14.611 -8.954 6.856 1.00 54.34 O flip ATOM 2003 NE2 GLN A 133 16.423 -7.722 7.185 1.00 1.42 N flip ATOM 0 H GLN A 133 11.280 -7.107 8.741 1.00 4.31 H new ATOM 0 HA GLN A 133 13.405 -5.940 10.484 1.00 54.32 H new ATOM 0 HB2 GLN A 133 13.226 -6.438 7.518 1.00 10.45 H new ATOM 0 HB3 GLN A 133 14.457 -5.455 8.285 1.00 10.45 H new ATOM 0 HG2 GLN A 133 15.342 -7.320 9.499 1.00 62.24 H new ATOM 0 HG3 GLN A 133 13.944 -8.315 9.145 1.00 62.24 H new ATOM 0 HE21 GLN A 133 16.921 -7.026 7.740 1.00 1.42 H new ATOM 0 HE22 GLN A 133 16.862 -8.122 6.355 1.00 1.42 H new ATOM 2012 N ALA A 134 10.903 -4.590 9.836 1.00 13.40 N ATOM 2013 CA ALA A 134 9.973 -3.469 9.798 1.00 14.05 C ATOM 2014 C ALA A 134 10.559 -2.202 10.401 1.00 73.42 C ATOM 2015 O ALA A 134 10.138 -1.125 10.062 1.00 74.32 O ATOM 2016 CB ALA A 134 8.682 -3.841 10.506 1.00 41.05 C ATOM 0 H ALA A 134 10.486 -5.415 10.268 1.00 13.40 H new ATOM 0 HA ALA A 134 9.768 -3.255 8.749 1.00 14.05 H new ATOM 0 HB1 ALA A 134 7.993 -2.997 10.473 1.00 41.05 H new ATOM 0 HB2 ALA A 134 8.229 -4.699 10.010 1.00 41.05 H new ATOM 0 HB3 ALA A 134 8.896 -4.094 11.544 1.00 41.05 H new ATOM 2022 N ARG A 135 11.511 -2.356 11.306 1.00 51.15 N ATOM 2023 CA ARG A 135 12.156 -1.233 12.008 1.00 0.20 C ATOM 2024 C ARG A 135 12.735 -0.217 10.999 1.00 13.20 C ATOM 2025 O ARG A 135 12.605 0.993 11.191 1.00 54.34 O ATOM 2026 CB ARG A 135 13.283 -1.781 12.879 1.00 54.33 C ATOM 2027 CG ARG A 135 12.830 -2.870 13.833 1.00 35.24 C ATOM 2028 CD ARG A 135 14.005 -3.539 14.510 1.00 31.41 C ATOM 2029 NE ARG A 135 13.580 -4.695 15.292 1.00 11.42 N ATOM 2030 CZ ARG A 135 13.794 -5.976 14.946 1.00 20.24 C ATOM 2031 NH1 ARG A 135 14.390 -6.274 13.790 1.00 5.20 N ATOM 2032 NH2 ARG A 135 13.402 -6.954 15.751 1.00 43.11 N ATOM 0 H ARG A 135 11.869 -3.269 11.585 1.00 51.15 H new ATOM 0 HA ARG A 135 11.414 -0.724 12.622 1.00 0.20 H new ATOM 0 HB2 ARG A 135 14.070 -2.175 12.236 1.00 54.33 H new ATOM 0 HB3 ARG A 135 13.719 -0.964 13.453 1.00 54.33 H new ATOM 0 HG2 ARG A 135 12.169 -2.442 14.587 1.00 35.24 H new ATOM 0 HG3 ARG A 135 12.251 -3.615 13.287 1.00 35.24 H new ATOM 0 HD2 ARG A 135 14.730 -3.852 13.759 1.00 31.41 H new ATOM 0 HD3 ARG A 135 14.509 -2.823 15.160 1.00 31.41 H new ATOM 0 HE ARG A 135 13.084 -4.518 16.166 1.00 11.42 H new ATOM 0 HH11 ARG A 135 14.687 -5.527 13.162 1.00 5.20 H new ATOM 0 HH12 ARG A 135 14.549 -7.249 13.535 1.00 5.20 H new ATOM 0 HH21 ARG A 135 12.938 -6.734 16.632 1.00 43.11 H new ATOM 0 HH22 ARG A 135 13.564 -7.926 15.489 1.00 43.11 H new ATOM 2046 N GLU A 136 13.317 -0.720 9.903 1.00 5.20 N ATOM 2047 CA GLU A 136 13.824 0.142 8.827 1.00 32.34 C ATOM 2048 C GLU A 136 12.687 0.828 8.097 1.00 1.04 C ATOM 2049 O GLU A 136 12.803 1.969 7.663 1.00 10.43 O ATOM 2050 CB GLU A 136 14.655 -0.654 7.824 1.00 15.23 C ATOM 2051 CG GLU A 136 16.134 -0.675 8.120 1.00 64.21 C ATOM 2052 CD GLU A 136 16.741 0.711 8.031 1.00 64.13 C ATOM 2053 OE1 GLU A 136 16.428 1.464 7.081 1.00 12.35 O ATOM 2054 OE2 GLU A 136 17.524 1.086 8.918 1.00 73.42 O ATOM 0 H GLU A 136 13.449 -1.718 9.738 1.00 5.20 H new ATOM 0 HA GLU A 136 14.458 0.896 9.294 1.00 32.34 H new ATOM 0 HB2 GLU A 136 14.287 -1.680 7.798 1.00 15.23 H new ATOM 0 HB3 GLU A 136 14.501 -0.235 6.829 1.00 15.23 H new ATOM 0 HG2 GLU A 136 16.300 -1.082 9.117 1.00 64.21 H new ATOM 0 HG3 GLU A 136 16.637 -1.339 7.417 1.00 64.21 H new ATOM 2061 N VAL A 137 11.587 0.136 7.996 1.00 30.42 N ATOM 2062 CA VAL A 137 10.421 0.639 7.310 1.00 14.23 C ATOM 2063 C VAL A 137 9.764 1.730 8.148 1.00 21.44 C ATOM 2064 O VAL A 137 9.387 2.767 7.628 1.00 75.24 O ATOM 2065 CB VAL A 137 9.412 -0.505 7.012 1.00 65.44 C ATOM 2066 CG1 VAL A 137 8.204 0.002 6.235 1.00 43.33 C ATOM 2067 CG2 VAL A 137 10.106 -1.622 6.249 1.00 52.15 C ATOM 0 H VAL A 137 11.469 -0.798 8.388 1.00 30.42 H new ATOM 0 HA VAL A 137 10.733 1.062 6.355 1.00 14.23 H new ATOM 0 HB VAL A 137 9.049 -0.893 7.964 1.00 65.44 H new ATOM 0 HG11 VAL A 137 7.520 -0.825 6.045 1.00 43.33 H new ATOM 0 HG12 VAL A 137 7.693 0.769 6.817 1.00 43.33 H new ATOM 0 HG13 VAL A 137 8.533 0.426 5.286 1.00 43.33 H new ATOM 0 HG21 VAL A 137 9.393 -2.420 6.044 1.00 52.15 H new ATOM 0 HG22 VAL A 137 10.496 -1.233 5.308 1.00 52.15 H new ATOM 0 HG23 VAL A 137 10.928 -2.015 6.847 1.00 52.15 H new ATOM 2077 N VAL A 138 9.685 1.500 9.453 1.00 11.31 N ATOM 2078 CA VAL A 138 9.105 2.461 10.379 1.00 71.54 C ATOM 2079 C VAL A 138 9.917 3.750 10.379 1.00 44.22 C ATOM 2080 O VAL A 138 9.360 4.828 10.257 1.00 60.43 O ATOM 2081 CB VAL A 138 9.003 1.902 11.831 1.00 4.12 C ATOM 2082 CG1 VAL A 138 8.405 2.944 12.772 1.00 45.01 C ATOM 2083 CG2 VAL A 138 8.162 0.630 11.863 1.00 21.41 C ATOM 0 H VAL A 138 10.020 0.645 9.897 1.00 11.31 H new ATOM 0 HA VAL A 138 8.091 2.663 10.034 1.00 71.54 H new ATOM 0 HB VAL A 138 10.012 1.664 12.168 1.00 4.12 H new ATOM 0 HG11 VAL A 138 8.343 2.532 13.779 1.00 45.01 H new ATOM 0 HG12 VAL A 138 9.038 3.832 12.781 1.00 45.01 H new ATOM 0 HG13 VAL A 138 7.406 3.214 12.429 1.00 45.01 H new ATOM 0 HG21 VAL A 138 8.104 0.258 12.886 1.00 21.41 H new ATOM 0 HG22 VAL A 138 7.158 0.848 11.499 1.00 21.41 H new ATOM 0 HG23 VAL A 138 8.622 -0.126 11.227 1.00 21.41 H new ATOM 2093 N ARG A 139 11.233 3.632 10.489 1.00 55.14 N ATOM 2094 CA ARG A 139 12.092 4.814 10.484 1.00 52.34 C ATOM 2095 C ARG A 139 12.010 5.557 9.154 1.00 60.02 C ATOM 2096 O ARG A 139 12.003 6.793 9.123 1.00 70.35 O ATOM 2097 CB ARG A 139 13.539 4.492 10.872 1.00 4.54 C ATOM 2098 CG ARG A 139 14.288 3.575 9.939 1.00 34.12 C ATOM 2099 CD ARG A 139 15.707 3.351 10.426 1.00 33.00 C ATOM 2100 NE ARG A 139 15.738 2.911 11.832 1.00 44.51 N ATOM 2101 CZ ARG A 139 16.541 1.963 12.331 1.00 23.42 C ATOM 2102 NH1 ARG A 139 17.348 1.266 11.544 1.00 51.43 N ATOM 2103 NH2 ARG A 139 16.509 1.693 13.628 1.00 54.15 N ATOM 0 H ARG A 139 11.726 2.744 10.582 1.00 55.14 H new ATOM 0 HA ARG A 139 11.712 5.482 11.257 1.00 52.34 H new ATOM 0 HB2 ARG A 139 14.090 5.429 10.948 1.00 4.54 H new ATOM 0 HB3 ARG A 139 13.536 4.043 11.865 1.00 4.54 H new ATOM 0 HG2 ARG A 139 13.769 2.619 9.867 1.00 34.12 H new ATOM 0 HG3 ARG A 139 14.306 4.004 8.937 1.00 34.12 H new ATOM 0 HD2 ARG A 139 16.193 2.603 9.800 1.00 33.00 H new ATOM 0 HD3 ARG A 139 16.278 4.274 10.321 1.00 33.00 H new ATOM 0 HE ARG A 139 15.094 3.367 12.479 1.00 44.51 H new ATOM 0 HH11 ARG A 139 17.364 1.448 10.541 1.00 51.43 H new ATOM 0 HH12 ARG A 139 17.953 0.548 11.942 1.00 51.43 H new ATOM 0 HH21 ARG A 139 15.875 2.206 14.240 1.00 54.15 H new ATOM 0 HH22 ARG A 139 17.118 0.972 14.014 1.00 54.15 H new ATOM 2117 N ARG A 140 11.917 4.795 8.068 1.00 41.41 N ATOM 2118 CA ARG A 140 11.803 5.350 6.729 1.00 23.14 C ATOM 2119 C ARG A 140 10.474 6.104 6.623 1.00 3.41 C ATOM 2120 O ARG A 140 10.401 7.207 6.080 1.00 44.11 O ATOM 2121 CB ARG A 140 11.830 4.208 5.709 1.00 44.52 C ATOM 2122 CG ARG A 140 12.204 4.610 4.295 1.00 15.32 C ATOM 2123 CD ARG A 140 13.661 5.068 4.220 1.00 71.24 C ATOM 2124 NE ARG A 140 14.600 4.046 4.761 1.00 44.20 N ATOM 2125 CZ ARG A 140 15.775 3.697 4.202 1.00 33.41 C ATOM 2126 NH1 ARG A 140 16.173 4.274 3.069 1.00 44.24 N ATOM 2127 NH2 ARG A 140 16.555 2.791 4.791 1.00 71.20 N ATOM 0 H ARG A 140 11.919 3.775 8.095 1.00 41.41 H new ATOM 0 HA ARG A 140 12.630 6.031 6.530 1.00 23.14 H new ATOM 0 HB2 ARG A 140 12.536 3.452 6.053 1.00 44.52 H new ATOM 0 HB3 ARG A 140 10.846 3.739 5.688 1.00 44.52 H new ATOM 0 HG2 ARG A 140 12.049 3.767 3.621 1.00 15.32 H new ATOM 0 HG3 ARG A 140 11.549 5.413 3.957 1.00 15.32 H new ATOM 0 HD2 ARG A 140 13.919 5.284 3.183 1.00 71.24 H new ATOM 0 HD3 ARG A 140 13.777 5.997 4.778 1.00 71.24 H new ATOM 0 HE ARG A 140 14.332 3.573 5.624 1.00 44.20 H new ATOM 0 HH11 ARG A 140 15.588 4.981 2.624 1.00 44.24 H new ATOM 0 HH12 ARG A 140 17.063 4.009 2.647 1.00 44.24 H new ATOM 0 HH21 ARG A 140 16.263 2.359 5.668 1.00 71.20 H new ATOM 0 HH22 ARG A 140 17.444 2.529 4.365 1.00 71.20 H new ATOM 2141 N ALA A 141 9.442 5.503 7.188 1.00 71.22 N ATOM 2142 CA ALA A 141 8.110 6.061 7.220 1.00 41.44 C ATOM 2143 C ALA A 141 8.095 7.343 8.041 1.00 34.02 C ATOM 2144 O ALA A 141 7.517 8.350 7.633 1.00 32.40 O ATOM 2145 CB ALA A 141 7.156 5.053 7.826 1.00 74.23 C ATOM 0 H ALA A 141 9.512 4.594 7.646 1.00 71.22 H new ATOM 0 HA ALA A 141 7.797 6.294 6.202 1.00 41.44 H new ATOM 0 HB1 ALA A 141 6.150 5.473 7.851 1.00 74.23 H new ATOM 0 HB2 ALA A 141 7.155 4.145 7.223 1.00 74.23 H new ATOM 0 HB3 ALA A 141 7.475 4.815 8.841 1.00 74.23 H new ATOM 2151 N GLN A 142 8.744 7.297 9.197 1.00 51.34 N ATOM 2152 CA GLN A 142 8.835 8.443 10.090 1.00 0.13 C ATOM 2153 C GLN A 142 9.557 9.593 9.432 1.00 74.34 C ATOM 2154 O GLN A 142 9.172 10.741 9.600 1.00 55.42 O ATOM 2155 CB GLN A 142 9.517 8.074 11.407 1.00 13.24 C ATOM 2156 CG GLN A 142 8.702 7.123 12.270 1.00 54.24 C ATOM 2157 CD GLN A 142 9.434 6.680 13.521 1.00 33.44 C ATOM 2158 OE1 GLN A 142 10.668 6.567 13.542 1.00 42.23 O ATOM 2159 NE2 GLN A 142 8.695 6.434 14.570 1.00 61.54 N ATOM 0 H GLN A 142 9.222 6.464 9.541 1.00 51.34 H new ATOM 0 HA GLN A 142 7.815 8.758 10.312 1.00 0.13 H new ATOM 0 HB2 GLN A 142 10.483 7.618 11.191 1.00 13.24 H new ATOM 0 HB3 GLN A 142 9.714 8.985 11.972 1.00 13.24 H new ATOM 0 HG2 GLN A 142 7.769 7.610 12.555 1.00 54.24 H new ATOM 0 HG3 GLN A 142 8.436 6.245 11.681 1.00 54.24 H new ATOM 0 HE21 GLN A 142 7.682 6.538 14.516 1.00 61.54 H new ATOM 0 HE22 GLN A 142 9.131 6.138 15.443 1.00 61.54 H new ATOM 2168 N ALA A 143 10.588 9.283 8.673 1.00 71.33 N ATOM 2169 CA ALA A 143 11.350 10.296 7.961 1.00 24.14 C ATOM 2170 C ALA A 143 10.500 10.932 6.864 1.00 13.21 C ATOM 2171 O ALA A 143 10.557 12.140 6.637 1.00 54.34 O ATOM 2172 CB ALA A 143 12.614 9.693 7.378 1.00 14.55 C ATOM 0 H ALA A 143 10.922 8.330 8.531 1.00 71.33 H new ATOM 0 HA ALA A 143 11.635 11.076 8.667 1.00 24.14 H new ATOM 0 HB1 ALA A 143 13.174 10.464 6.848 1.00 14.55 H new ATOM 0 HB2 ALA A 143 13.228 9.287 8.182 1.00 14.55 H new ATOM 0 HB3 ALA A 143 12.350 8.895 6.684 1.00 14.55 H new ATOM 2178 N MET A 144 9.699 10.116 6.215 1.00 14.12 N ATOM 2179 CA MET A 144 8.815 10.567 5.149 1.00 23.20 C ATOM 2180 C MET A 144 7.681 11.437 5.714 1.00 53.42 C ATOM 2181 O MET A 144 7.296 12.445 5.124 1.00 53.23 O ATOM 2182 CB MET A 144 8.224 9.345 4.429 1.00 50.31 C ATOM 2183 CG MET A 144 7.278 9.655 3.268 1.00 22.53 C ATOM 2184 SD MET A 144 8.092 10.416 1.848 1.00 42.51 S ATOM 2185 CE MET A 144 6.705 10.544 0.711 1.00 61.02 C ATOM 0 H MET A 144 9.638 9.116 6.408 1.00 14.12 H new ATOM 0 HA MET A 144 9.390 11.168 4.445 1.00 23.20 H new ATOM 0 HB2 MET A 144 9.045 8.736 4.052 1.00 50.31 H new ATOM 0 HB3 MET A 144 7.687 8.740 5.160 1.00 50.31 H new ATOM 0 HG2 MET A 144 6.797 8.731 2.947 1.00 22.53 H new ATOM 0 HG3 MET A 144 6.489 10.319 3.622 1.00 22.53 H new ATOM 0 HE1 MET A 144 7.058 10.403 -0.311 1.00 61.02 H new ATOM 0 HE2 MET A 144 5.967 9.778 0.949 1.00 61.02 H new ATOM 0 HE3 MET A 144 6.248 11.529 0.804 1.00 61.02 H new ATOM 2195 N ALA A 145 7.163 11.056 6.861 1.00 62.25 N ATOM 2196 CA ALA A 145 6.043 11.763 7.447 1.00 41.45 C ATOM 2197 C ALA A 145 6.459 12.975 8.274 1.00 24.23 C ATOM 2198 O ALA A 145 5.974 14.088 8.042 1.00 4.35 O ATOM 2199 CB ALA A 145 5.170 10.831 8.258 1.00 1.31 C ATOM 0 H ALA A 145 7.498 10.262 7.407 1.00 62.25 H new ATOM 0 HA ALA A 145 5.460 12.148 6.610 1.00 41.45 H new ATOM 0 HB1 ALA A 145 4.338 11.391 8.685 1.00 1.31 H new ATOM 0 HB2 ALA A 145 4.783 10.042 7.613 1.00 1.31 H new ATOM 0 HB3 ALA A 145 5.759 10.388 9.061 1.00 1.31 H new ATOM 2205 N TYR A 146 7.339 12.777 9.219 1.00 2.12 N ATOM 2206 CA TYR A 146 7.733 13.843 10.105 1.00 64.44 C ATOM 2207 C TYR A 146 9.027 14.454 9.613 1.00 14.22 C ATOM 2208 O TYR A 146 8.973 15.380 8.785 1.00 36.95 O ATOM 2209 CB TYR A 146 7.890 13.337 11.551 1.00 70.22 C ATOM 2210 CG TYR A 146 6.653 12.676 12.135 1.00 41.24 C ATOM 2211 CD1 TYR A 146 5.572 13.433 12.562 1.00 15.23 C ATOM 2212 CD2 TYR A 146 6.573 11.295 12.264 1.00 73.10 C ATOM 2213 CE1 TYR A 146 4.447 12.837 13.098 1.00 5.43 C ATOM 2214 CE2 TYR A 146 5.450 10.690 12.801 1.00 73.11 C ATOM 2215 CZ TYR A 146 4.389 11.465 13.216 1.00 23.43 C ATOM 2216 OH TYR A 146 3.262 10.862 13.761 1.00 12.33 O ATOM 2217 OXT TYR A 146 10.111 14.002 10.023 1.00 36.95 O ATOM 0 H TYR A 146 7.799 11.884 9.397 1.00 2.12 H new ATOM 0 HA TYR A 146 6.951 14.603 10.106 1.00 64.44 H new ATOM 0 HB2 TYR A 146 8.715 12.625 11.584 1.00 70.22 H new ATOM 0 HB3 TYR A 146 8.169 14.177 12.186 1.00 70.22 H new ATOM 0 HD1 TYR A 146 5.611 14.509 12.474 1.00 15.23 H new ATOM 0 HD2 TYR A 146 7.402 10.683 11.940 1.00 73.10 H new ATOM 0 HE1 TYR A 146 3.615 13.444 13.424 1.00 5.43 H new ATOM 0 HE2 TYR A 146 5.405 9.615 12.894 1.00 73.11 H new ATOM 0 HH TYR A 146 2.473 11.411 13.571 1.00 12.33 H new