USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 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 93 TYR OH : rot -126:sc= 1.27 USER MOD Set 1.2: A 144 MET CE :methyl -167:sc= 0 (180deg=-0.17) USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= 1.25 F(o=-0.98!,f=2.3) USER MOD Set 2.2: A 54 HIS : no HD1:sc= 1.07 K(o=2.3,f=-9.1!) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 167:sc= -0.0798 (180deg=-0.327) USER MOD Set 3.2: A 48 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Set 4.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 GLN :FLIP amide:sc= -0.438 F(o=-2.9!,f=-0.44) USER MOD Single : A 29 THR OG1 : rot 65:sc= 0.621 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 72 THR OG1 : rot 140:sc= -0.93 USER MOD Single : A 73 ASN : amide:sc=-0.00341 X(o=-0.0034,f=-0.31) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -37:sc= 0.462 USER MOD Single : A 86 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 96 THR OG1 : rot 7:sc= 1.09 USER MOD Single : A 99 MET CE :methyl 163:sc= -0.193 (180deg=-0.827) USER MOD Single : A 104 THR OG1 : rot 74:sc= 0.793 USER MOD Single : A 108 SER OG : rot 34:sc= 1.25 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.6!) USER MOD Single : A 130 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-3.4!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.5!) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 146 TYR OH : rot -137:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.977 5.051 -3.118 1.00 41.33 N ATOM 240 CA ALA A 18 -7.081 4.331 -3.984 1.00 33.42 C ATOM 241 C ALA A 18 -6.618 5.276 -5.069 1.00 21.40 C ATOM 242 O ALA A 18 -7.445 5.888 -5.760 1.00 61.32 O ATOM 243 CB ALA A 18 -7.779 3.128 -4.599 1.00 64.32 C ATOM 0 HA ALA A 18 -6.229 3.963 -3.412 1.00 33.42 H new ATOM 0 HB1 ALA A 18 -7.084 2.598 -5.250 1.00 64.32 H new ATOM 0 HB2 ALA A 18 -8.117 2.459 -3.807 1.00 64.32 H new ATOM 0 HB3 ALA A 18 -8.637 3.464 -5.181 1.00 64.32 H new ATOM 249 N GLY A 19 -5.339 5.435 -5.208 1.00 43.00 N ATOM 250 CA GLY A 19 -4.819 6.335 -6.186 1.00 62.02 C ATOM 251 C GLY A 19 -4.201 5.645 -7.359 1.00 34.01 C ATOM 252 O GLY A 19 -4.895 5.007 -8.161 1.00 70.13 O ATOM 0 H GLY A 19 -4.634 4.950 -4.653 1.00 43.00 H new ATOM 0 HA2 GLY A 19 -5.623 6.982 -6.537 1.00 62.02 H new ATOM 0 HA3 GLY A 19 -4.073 6.978 -5.718 1.00 62.02 H new ATOM 256 N ASP A 20 -2.910 5.738 -7.458 1.00 63.40 N ATOM 257 CA ASP A 20 -2.196 5.243 -8.614 1.00 72.01 C ATOM 258 C ASP A 20 -1.358 4.028 -8.286 1.00 65.51 C ATOM 259 O ASP A 20 -0.671 3.997 -7.272 1.00 33.14 O ATOM 260 CB ASP A 20 -1.325 6.356 -9.197 1.00 22.44 C ATOM 261 CG ASP A 20 -0.517 5.911 -10.389 1.00 21.23 C ATOM 262 OD1 ASP A 20 -1.104 5.630 -11.449 1.00 71.30 O ATOM 263 OD2 ASP A 20 0.702 5.877 -10.306 1.00 43.44 O ATOM 0 H ASP A 20 -2.314 6.158 -6.744 1.00 63.40 H new ATOM 0 HA ASP A 20 -2.932 4.932 -9.355 1.00 72.01 H new ATOM 0 HB2 ASP A 20 -1.961 7.192 -9.488 1.00 22.44 H new ATOM 0 HB3 ASP A 20 -0.650 6.723 -8.424 1.00 22.44 H new ATOM 268 N ASP A 21 -1.455 3.022 -9.133 1.00 5.21 N ATOM 269 CA ASP A 21 -0.675 1.795 -8.996 1.00 52.42 C ATOM 270 C ASP A 21 0.767 2.095 -9.402 1.00 64.14 C ATOM 271 O ASP A 21 1.035 2.443 -10.563 1.00 41.34 O ATOM 272 CB ASP A 21 -1.277 0.696 -9.888 1.00 63.20 C ATOM 273 CG ASP A 21 -0.585 -0.647 -9.775 1.00 12.04 C ATOM 274 OD1 ASP A 21 0.553 -0.776 -10.232 1.00 10.33 O ATOM 275 OD2 ASP A 21 -1.213 -1.607 -9.287 1.00 52.44 O ATOM 0 H ASP A 21 -2.078 3.027 -9.941 1.00 5.21 H new ATOM 0 HA ASP A 21 -0.695 1.442 -7.965 1.00 52.42 H new ATOM 0 HB2 ASP A 21 -2.329 0.572 -9.632 1.00 63.20 H new ATOM 0 HB3 ASP A 21 -1.238 1.025 -10.926 1.00 63.20 H new ATOM 280 N VAL A 22 1.671 1.996 -8.453 1.00 73.20 N ATOM 281 CA VAL A 22 3.073 2.362 -8.657 1.00 65.53 C ATOM 282 C VAL A 22 3.957 1.139 -9.020 1.00 22.34 C ATOM 283 O VAL A 22 5.122 1.286 -9.430 1.00 12.41 O ATOM 284 CB VAL A 22 3.622 3.088 -7.370 1.00 31.13 C ATOM 285 CG1 VAL A 22 5.080 3.517 -7.493 1.00 12.22 C ATOM 286 CG2 VAL A 22 2.767 4.296 -7.047 1.00 40.41 C ATOM 0 H VAL A 22 1.464 1.660 -7.513 1.00 73.20 H new ATOM 0 HA VAL A 22 3.120 3.042 -9.507 1.00 65.53 H new ATOM 0 HB VAL A 22 3.571 2.358 -6.562 1.00 31.13 H new ATOM 0 HG11 VAL A 22 5.393 4.010 -6.573 1.00 12.22 H new ATOM 0 HG12 VAL A 22 5.704 2.640 -7.665 1.00 12.22 H new ATOM 0 HG13 VAL A 22 5.187 4.208 -8.329 1.00 12.22 H new ATOM 0 HG21 VAL A 22 3.156 4.789 -6.156 1.00 40.41 H new ATOM 0 HG22 VAL A 22 2.789 4.992 -7.886 1.00 40.41 H new ATOM 0 HG23 VAL A 22 1.740 3.977 -6.866 1.00 40.41 H new ATOM 296 N LEU A 23 3.425 -0.048 -8.934 1.00 35.12 N ATOM 297 CA LEU A 23 4.260 -1.205 -9.172 1.00 40.33 C ATOM 298 C LEU A 23 4.198 -1.731 -10.609 1.00 74.10 C ATOM 299 O LEU A 23 3.666 -1.080 -11.526 1.00 32.04 O ATOM 300 CB LEU A 23 4.091 -2.336 -8.097 1.00 32.02 C ATOM 301 CG LEU A 23 2.685 -2.880 -7.751 1.00 74.31 C ATOM 302 CD1 LEU A 23 1.935 -3.370 -8.965 1.00 13.21 C ATOM 303 CD2 LEU A 23 2.819 -4.027 -6.781 1.00 31.22 C ATOM 0 H LEU A 23 2.450 -0.244 -8.709 1.00 35.12 H new ATOM 0 HA LEU A 23 5.277 -0.834 -9.047 1.00 40.33 H new ATOM 0 HB2 LEU A 23 4.694 -3.184 -8.423 1.00 32.02 H new ATOM 0 HB3 LEU A 23 4.532 -1.969 -7.170 1.00 32.02 H new ATOM 0 HG LEU A 23 2.121 -2.054 -7.317 1.00 74.31 H new ATOM 0 HD11 LEU A 23 0.955 -3.740 -8.663 1.00 13.21 H new ATOM 0 HD12 LEU A 23 1.810 -2.549 -9.671 1.00 13.21 H new ATOM 0 HD13 LEU A 23 2.497 -4.175 -9.439 1.00 13.21 H new ATOM 0 HD21 LEU A 23 1.830 -4.413 -6.535 1.00 31.22 H new ATOM 0 HD22 LEU A 23 3.415 -4.819 -7.234 1.00 31.22 H new ATOM 0 HD23 LEU A 23 3.309 -3.679 -5.872 1.00 31.22 H new ATOM 315 N ASP A 24 4.833 -2.855 -10.806 1.00 53.22 N ATOM 316 CA ASP A 24 4.827 -3.550 -12.060 1.00 20.33 C ATOM 317 C ASP A 24 3.765 -4.612 -11.993 1.00 5.15 C ATOM 318 O ASP A 24 3.718 -5.349 -11.013 1.00 62.12 O ATOM 319 CB ASP A 24 6.176 -4.250 -12.310 1.00 73.31 C ATOM 320 CG ASP A 24 7.322 -3.315 -12.586 1.00 71.35 C ATOM 321 OD1 ASP A 24 7.962 -2.823 -11.628 1.00 1.33 O ATOM 322 OD2 ASP A 24 7.628 -3.075 -13.769 1.00 1.11 O ATOM 0 H ASP A 24 5.380 -3.321 -10.082 1.00 53.22 H new ATOM 0 HA ASP A 24 4.643 -2.834 -12.861 1.00 20.33 H new ATOM 0 HB2 ASP A 24 6.422 -4.859 -11.440 1.00 73.31 H new ATOM 0 HB3 ASP A 24 6.067 -4.930 -13.155 1.00 73.31 H new ATOM 327 N PRO A 25 2.903 -4.723 -13.023 1.00 30.51 N ATOM 328 CA PRO A 25 1.871 -5.785 -13.115 1.00 64.15 C ATOM 329 C PRO A 25 2.488 -7.190 -13.024 1.00 24.34 C ATOM 330 O PRO A 25 1.795 -8.180 -12.750 1.00 10.34 O ATOM 331 CB PRO A 25 1.260 -5.567 -14.494 1.00 33.21 C ATOM 332 CG PRO A 25 1.481 -4.129 -14.774 1.00 5.44 C ATOM 333 CD PRO A 25 2.812 -3.793 -14.165 1.00 42.10 C ATOM 0 HA PRO A 25 1.148 -5.728 -12.301 1.00 64.15 H new ATOM 0 HB2 PRO A 25 1.739 -6.196 -15.244 1.00 33.21 H new ATOM 0 HB3 PRO A 25 0.198 -5.814 -14.502 1.00 33.21 H new ATOM 0 HG2 PRO A 25 1.482 -3.935 -15.847 1.00 5.44 H new ATOM 0 HG3 PRO A 25 0.688 -3.520 -14.341 1.00 5.44 H new ATOM 0 HD2 PRO A 25 3.628 -3.942 -14.872 1.00 42.10 H new ATOM 0 HD3 PRO A 25 2.856 -2.753 -13.842 1.00 42.10 H new ATOM 341 N ASP A 26 3.786 -7.262 -13.312 1.00 45.50 N ATOM 342 CA ASP A 26 4.571 -8.485 -13.173 1.00 43.51 C ATOM 343 C ASP A 26 4.460 -9.012 -11.744 1.00 51.32 C ATOM 344 O ASP A 26 4.306 -10.209 -11.527 1.00 13.14 O ATOM 345 CB ASP A 26 6.037 -8.212 -13.513 1.00 24.52 C ATOM 346 CG ASP A 26 6.916 -9.438 -13.363 1.00 12.41 C ATOM 347 OD1 ASP A 26 6.909 -10.297 -14.255 1.00 14.52 O ATOM 348 OD2 ASP A 26 7.644 -9.553 -12.360 1.00 61.11 O ATOM 0 H ASP A 26 4.326 -6.466 -13.651 1.00 45.50 H new ATOM 0 HA ASP A 26 4.182 -9.234 -13.863 1.00 43.51 H new ATOM 0 HB2 ASP A 26 6.105 -7.846 -14.537 1.00 24.52 H new ATOM 0 HB3 ASP A 26 6.413 -7.420 -12.866 1.00 24.52 H new ATOM 353 N GLU A 27 4.485 -8.096 -10.780 1.00 43.11 N ATOM 354 CA GLU A 27 4.340 -8.439 -9.381 1.00 23.21 C ATOM 355 C GLU A 27 2.923 -8.935 -9.127 1.00 33.30 C ATOM 356 O GLU A 27 1.952 -8.335 -9.622 1.00 4.10 O ATOM 357 CB GLU A 27 4.625 -7.225 -8.484 1.00 65.00 C ATOM 358 CG GLU A 27 6.076 -6.775 -8.459 1.00 15.42 C ATOM 359 CD GLU A 27 6.996 -7.788 -7.806 1.00 51.11 C ATOM 360 OE1 GLU A 27 7.131 -7.777 -6.570 1.00 51.32 O ATOM 361 OE2 GLU A 27 7.644 -8.581 -8.523 1.00 42.23 O ATOM 0 H GLU A 27 4.607 -7.098 -10.953 1.00 43.11 H new ATOM 0 HA GLU A 27 5.060 -9.222 -9.140 1.00 23.21 H new ATOM 0 HB2 GLU A 27 4.007 -6.392 -8.818 1.00 65.00 H new ATOM 0 HB3 GLU A 27 4.316 -7.463 -7.466 1.00 65.00 H new ATOM 0 HG2 GLU A 27 6.412 -6.591 -9.480 1.00 15.42 H new ATOM 0 HG3 GLU A 27 6.148 -5.828 -7.924 1.00 15.42 H new ATOM 368 N PRO A 28 2.774 -10.046 -8.397 1.00 74.13 N ATOM 369 CA PRO A 28 1.466 -10.600 -8.069 1.00 14.32 C ATOM 370 C PRO A 28 0.607 -9.584 -7.311 1.00 65.11 C ATOM 371 O PRO A 28 1.047 -8.988 -6.327 1.00 71.50 O ATOM 372 CB PRO A 28 1.794 -11.800 -7.187 1.00 35.21 C ATOM 373 CG PRO A 28 3.197 -12.150 -7.503 1.00 63.31 C ATOM 374 CD PRO A 28 3.871 -10.864 -7.845 1.00 24.41 C ATOM 0 HA PRO A 28 0.890 -10.868 -8.955 1.00 14.32 H new ATOM 0 HB2 PRO A 28 1.679 -11.554 -6.131 1.00 35.21 H new ATOM 0 HB3 PRO A 28 1.125 -12.635 -7.395 1.00 35.21 H new ATOM 0 HG2 PRO A 28 3.681 -12.631 -6.653 1.00 63.31 H new ATOM 0 HG3 PRO A 28 3.247 -12.851 -8.336 1.00 63.31 H new ATOM 0 HD2 PRO A 28 4.319 -10.398 -6.967 1.00 24.41 H new ATOM 0 HD3 PRO A 28 4.670 -11.009 -8.572 1.00 24.41 H new ATOM 382 N THR A 29 -0.582 -9.365 -7.782 1.00 14.51 N ATOM 383 CA THR A 29 -1.463 -8.400 -7.199 1.00 33.12 C ATOM 384 C THR A 29 -2.855 -9.050 -6.954 1.00 1.15 C ATOM 385 O THR A 29 -3.186 -10.085 -7.547 1.00 61.52 O ATOM 386 CB THR A 29 -1.562 -7.170 -8.142 1.00 23.22 C ATOM 387 OG1 THR A 29 -0.236 -6.688 -8.461 1.00 11.11 O ATOM 388 CG2 THR A 29 -2.349 -6.035 -7.524 1.00 3.51 C ATOM 0 H THR A 29 -0.971 -9.854 -8.588 1.00 14.51 H new ATOM 0 HA THR A 29 -1.078 -8.063 -6.237 1.00 33.12 H new ATOM 0 HB THR A 29 -2.083 -7.499 -9.041 1.00 23.22 H new ATOM 0 HG1 THR A 29 0.246 -7.371 -8.973 1.00 11.11 H new ATOM 0 HG21 THR A 29 -2.390 -5.198 -8.222 1.00 3.51 H new ATOM 0 HG22 THR A 29 -3.361 -6.373 -7.302 1.00 3.51 H new ATOM 0 HG23 THR A 29 -1.863 -5.715 -6.602 1.00 3.51 H new ATOM 396 N TYR A 30 -3.614 -8.474 -6.062 1.00 54.21 N ATOM 397 CA TYR A 30 -4.914 -8.950 -5.667 1.00 32.51 C ATOM 398 C TYR A 30 -5.960 -7.940 -6.028 1.00 72.00 C ATOM 399 O TYR A 30 -5.644 -6.791 -6.292 1.00 11.13 O ATOM 400 CB TYR A 30 -4.981 -9.278 -4.180 1.00 12.23 C ATOM 401 CG TYR A 30 -4.117 -10.435 -3.770 1.00 10.10 C ATOM 402 CD1 TYR A 30 -4.201 -11.644 -4.436 1.00 40.32 C ATOM 403 CD2 TYR A 30 -3.237 -10.331 -2.714 1.00 60.22 C ATOM 404 CE1 TYR A 30 -3.434 -12.716 -4.068 1.00 70.51 C ATOM 405 CE2 TYR A 30 -2.460 -11.402 -2.333 1.00 40.23 C ATOM 406 CZ TYR A 30 -2.563 -12.594 -3.016 1.00 51.00 C ATOM 407 OH TYR A 30 -1.784 -13.663 -2.644 1.00 65.41 O ATOM 0 H TYR A 30 -3.333 -7.626 -5.570 1.00 54.21 H new ATOM 0 HA TYR A 30 -5.103 -9.877 -6.208 1.00 32.51 H new ATOM 0 HB2 TYR A 30 -4.685 -8.397 -3.611 1.00 12.23 H new ATOM 0 HB3 TYR A 30 -6.015 -9.497 -3.913 1.00 12.23 H new ATOM 0 HD1 TYR A 30 -4.887 -11.744 -5.264 1.00 40.32 H new ATOM 0 HD2 TYR A 30 -3.156 -9.397 -2.178 1.00 60.22 H new ATOM 0 HE1 TYR A 30 -3.514 -13.651 -4.602 1.00 70.51 H new ATOM 0 HE2 TYR A 30 -1.774 -11.308 -1.504 1.00 40.23 H new ATOM 0 HH TYR A 30 -1.222 -13.409 -1.882 1.00 65.41 H new ATOM 417 N ASP A 31 -7.176 -8.367 -6.059 1.00 40.20 N ATOM 418 CA ASP A 31 -8.298 -7.535 -6.436 1.00 51.32 C ATOM 419 C ASP A 31 -9.352 -7.821 -5.379 1.00 41.10 C ATOM 420 O ASP A 31 -9.185 -8.800 -4.632 1.00 2.25 O ATOM 421 CB ASP A 31 -8.808 -7.978 -7.826 1.00 61.23 C ATOM 422 CG ASP A 31 -9.750 -6.993 -8.504 1.00 62.33 C ATOM 423 OD1 ASP A 31 -10.804 -6.657 -7.951 1.00 13.20 O ATOM 424 OD2 ASP A 31 -9.467 -6.581 -9.638 1.00 32.45 O ATOM 0 H ASP A 31 -7.438 -9.323 -5.820 1.00 40.20 H new ATOM 0 HA ASP A 31 -8.048 -6.476 -6.493 1.00 51.32 H new ATOM 0 HB2 ASP A 31 -7.949 -8.144 -8.476 1.00 61.23 H new ATOM 0 HB3 ASP A 31 -9.319 -8.935 -7.722 1.00 61.23 H new ATOM 429 N LEU A 32 -10.400 -7.016 -5.310 1.00 32.22 N ATOM 430 CA LEU A 32 -11.406 -7.085 -4.234 1.00 54.10 C ATOM 431 C LEU A 32 -11.940 -8.495 -3.944 1.00 43.24 C ATOM 432 O LEU A 32 -11.852 -8.940 -2.792 1.00 72.33 O ATOM 433 CB LEU A 32 -12.563 -6.086 -4.416 1.00 3.43 C ATOM 434 CG LEU A 32 -12.241 -4.596 -4.226 1.00 41.31 C ATOM 435 CD1 LEU A 32 -11.544 -4.324 -2.901 1.00 44.32 C ATOM 436 CD2 LEU A 32 -11.471 -4.012 -5.391 1.00 54.44 C ATOM 0 H LEU A 32 -10.588 -6.287 -5.998 1.00 32.22 H new ATOM 0 HA LEU A 32 -10.845 -6.786 -3.348 1.00 54.10 H new ATOM 0 HB2 LEU A 32 -12.969 -6.219 -5.419 1.00 3.43 H new ATOM 0 HB3 LEU A 32 -13.353 -6.353 -3.714 1.00 3.43 H new ATOM 0 HG LEU A 32 -13.202 -4.082 -4.197 1.00 41.31 H new ATOM 0 HD11 LEU A 32 -11.336 -3.258 -2.811 1.00 44.32 H new ATOM 0 HD12 LEU A 32 -12.188 -4.639 -2.080 1.00 44.32 H new ATOM 0 HD13 LEU A 32 -10.608 -4.881 -2.861 1.00 44.32 H new ATOM 0 HD21 LEU A 32 -11.271 -2.957 -5.203 1.00 54.44 H new ATOM 0 HD22 LEU A 32 -10.527 -4.545 -5.507 1.00 54.44 H new ATOM 0 HD23 LEU A 32 -12.059 -4.113 -6.303 1.00 54.44 H new ATOM 448 N PRO A 33 -12.485 -9.240 -4.964 1.00 35.01 N ATOM 449 CA PRO A 33 -12.978 -10.605 -4.755 1.00 11.01 C ATOM 450 C PRO A 33 -11.914 -11.513 -4.131 1.00 3.52 C ATOM 451 O PRO A 33 -12.182 -12.203 -3.157 1.00 73.53 O ATOM 452 CB PRO A 33 -13.339 -11.093 -6.178 1.00 31.53 C ATOM 453 CG PRO A 33 -12.719 -10.104 -7.105 1.00 53.15 C ATOM 454 CD PRO A 33 -12.703 -8.810 -6.363 1.00 13.05 C ATOM 0 HA PRO A 33 -13.820 -10.629 -4.063 1.00 11.01 H new ATOM 0 HB2 PRO A 33 -12.953 -12.096 -6.359 1.00 31.53 H new ATOM 0 HB3 PRO A 33 -14.419 -11.137 -6.316 1.00 31.53 H new ATOM 0 HG2 PRO A 33 -11.710 -10.408 -7.384 1.00 53.15 H new ATOM 0 HG3 PRO A 33 -13.293 -10.019 -8.028 1.00 53.15 H new ATOM 0 HD2 PRO A 33 -11.907 -8.152 -6.713 1.00 13.05 H new ATOM 0 HD3 PRO A 33 -13.640 -8.266 -6.478 1.00 13.05 H new ATOM 462 N ARG A 34 -10.694 -11.460 -4.665 1.00 15.41 N ATOM 463 CA ARG A 34 -9.613 -12.261 -4.193 1.00 55.34 C ATOM 464 C ARG A 34 -9.203 -11.906 -2.767 1.00 71.13 C ATOM 465 O ARG A 34 -8.895 -12.789 -1.981 1.00 13.43 O ATOM 466 CB ARG A 34 -8.429 -12.143 -5.141 1.00 2.02 C ATOM 467 CG ARG A 34 -7.307 -13.097 -4.841 1.00 13.40 C ATOM 468 CD ARG A 34 -7.808 -14.517 -4.874 1.00 22.13 C ATOM 469 NE ARG A 34 -6.726 -15.480 -4.668 1.00 63.30 N ATOM 470 CZ ARG A 34 -6.877 -16.715 -4.166 1.00 42.51 C ATOM 471 NH1 ARG A 34 -8.087 -17.229 -3.982 1.00 42.50 N ATOM 472 NH2 ARG A 34 -5.806 -17.439 -3.872 1.00 35.13 N ATOM 0 H ARG A 34 -10.447 -10.848 -5.443 1.00 15.41 H new ATOM 0 HA ARG A 34 -9.956 -13.295 -4.170 1.00 55.34 H new ATOM 0 HB2 ARG A 34 -8.775 -12.314 -6.160 1.00 2.02 H new ATOM 0 HB3 ARG A 34 -8.045 -11.123 -5.101 1.00 2.02 H new ATOM 0 HG2 ARG A 34 -6.507 -12.969 -5.570 1.00 13.40 H new ATOM 0 HG3 ARG A 34 -6.884 -12.876 -3.861 1.00 13.40 H new ATOM 0 HD2 ARG A 34 -8.567 -14.653 -4.103 1.00 22.13 H new ATOM 0 HD3 ARG A 34 -8.289 -14.710 -5.833 1.00 22.13 H new ATOM 0 HE ARG A 34 -5.783 -15.190 -4.926 1.00 63.30 H new ATOM 0 HH11 ARG A 34 -8.915 -16.684 -4.223 1.00 42.50 H new ATOM 0 HH12 ARG A 34 -8.189 -18.169 -3.600 1.00 42.50 H new ATOM 0 HH21 ARG A 34 -4.873 -17.056 -4.028 1.00 35.13 H new ATOM 0 HH22 ARG A 34 -5.915 -18.379 -3.490 1.00 35.13 H new ATOM 486 N VAL A 35 -9.203 -10.635 -2.432 1.00 3.15 N ATOM 487 CA VAL A 35 -8.808 -10.231 -1.085 1.00 14.41 C ATOM 488 C VAL A 35 -9.848 -10.677 -0.078 1.00 71.13 C ATOM 489 O VAL A 35 -9.512 -11.189 1.007 1.00 72.04 O ATOM 490 CB VAL A 35 -8.537 -8.709 -0.958 1.00 33.31 C ATOM 491 CG1 VAL A 35 -8.149 -8.338 0.466 1.00 41.33 C ATOM 492 CG2 VAL A 35 -7.447 -8.286 -1.919 1.00 72.44 C ATOM 0 H VAL A 35 -9.465 -9.870 -3.054 1.00 3.15 H new ATOM 0 HA VAL A 35 -7.861 -10.727 -0.873 1.00 14.41 H new ATOM 0 HB VAL A 35 -9.458 -8.182 -1.210 1.00 33.31 H new ATOM 0 HG11 VAL A 35 -7.965 -7.265 0.525 1.00 41.33 H new ATOM 0 HG12 VAL A 35 -8.959 -8.605 1.145 1.00 41.33 H new ATOM 0 HG13 VAL A 35 -7.245 -8.877 0.749 1.00 41.33 H new ATOM 0 HG21 VAL A 35 -7.268 -7.216 -1.818 1.00 72.44 H new ATOM 0 HG22 VAL A 35 -6.530 -8.830 -1.692 1.00 72.44 H new ATOM 0 HG23 VAL A 35 -7.756 -8.507 -2.940 1.00 72.44 H new ATOM 502 N ALA A 36 -11.095 -10.537 -0.463 1.00 22.32 N ATOM 503 CA ALA A 36 -12.201 -10.957 0.358 1.00 20.24 C ATOM 504 C ALA A 36 -12.112 -12.463 0.577 1.00 53.22 C ATOM 505 O ALA A 36 -12.312 -12.965 1.680 1.00 70.53 O ATOM 506 CB ALA A 36 -13.511 -10.587 -0.326 1.00 2.20 C ATOM 0 H ALA A 36 -11.369 -10.128 -1.356 1.00 22.32 H new ATOM 0 HA ALA A 36 -12.164 -10.456 1.325 1.00 20.24 H new ATOM 0 HB1 ALA A 36 -14.348 -10.905 0.295 1.00 2.20 H new ATOM 0 HB2 ALA A 36 -13.555 -9.507 -0.469 1.00 2.20 H new ATOM 0 HB3 ALA A 36 -13.569 -11.084 -1.294 1.00 2.20 H new ATOM 512 N GLU A 37 -11.733 -13.144 -0.477 1.00 1.34 N ATOM 513 CA GLU A 37 -11.587 -14.573 -0.510 1.00 22.24 C ATOM 514 C GLU A 37 -10.453 -15.034 0.415 1.00 14.24 C ATOM 515 O GLU A 37 -10.616 -15.986 1.179 1.00 15.44 O ATOM 516 CB GLU A 37 -11.298 -14.961 -1.944 1.00 53.44 C ATOM 517 CG GLU A 37 -11.454 -16.426 -2.264 1.00 63.41 C ATOM 518 CD GLU A 37 -11.535 -16.659 -3.747 1.00 15.12 C ATOM 519 OE1 GLU A 37 -10.543 -16.432 -4.466 1.00 55.44 O ATOM 520 OE2 GLU A 37 -12.602 -17.087 -4.225 1.00 74.14 O ATOM 0 H GLU A 37 -11.510 -12.698 -1.367 1.00 1.34 H new ATOM 0 HA GLU A 37 -12.499 -15.055 -0.156 1.00 22.24 H new ATOM 0 HB2 GLU A 37 -11.960 -14.392 -2.597 1.00 53.44 H new ATOM 0 HB3 GLU A 37 -10.278 -14.661 -2.185 1.00 53.44 H new ATOM 0 HG2 GLU A 37 -10.611 -16.981 -1.853 1.00 63.41 H new ATOM 0 HG3 GLU A 37 -12.354 -16.811 -1.784 1.00 63.41 H new ATOM 527 N LEU A 38 -9.323 -14.343 0.354 1.00 15.52 N ATOM 528 CA LEU A 38 -8.152 -14.669 1.171 1.00 32.23 C ATOM 529 C LEU A 38 -8.450 -14.534 2.651 1.00 53.44 C ATOM 530 O LEU A 38 -8.133 -15.420 3.459 1.00 70.43 O ATOM 531 CB LEU A 38 -6.975 -13.747 0.835 1.00 51.42 C ATOM 532 CG LEU A 38 -6.367 -13.867 -0.555 1.00 24.43 C ATOM 533 CD1 LEU A 38 -5.312 -12.800 -0.734 1.00 11.20 C ATOM 534 CD2 LEU A 38 -5.754 -15.245 -0.763 1.00 53.31 C ATOM 0 H LEU A 38 -9.188 -13.541 -0.261 1.00 15.52 H new ATOM 0 HA LEU A 38 -7.894 -15.704 0.945 1.00 32.23 H new ATOM 0 HB2 LEU A 38 -7.304 -12.717 0.971 1.00 51.42 H new ATOM 0 HB3 LEU A 38 -6.186 -13.928 1.565 1.00 51.42 H new ATOM 0 HG LEU A 38 -7.156 -13.732 -1.295 1.00 24.43 H new ATOM 0 HD11 LEU A 38 -4.875 -12.884 -1.729 1.00 11.20 H new ATOM 0 HD12 LEU A 38 -5.767 -11.816 -0.619 1.00 11.20 H new ATOM 0 HD13 LEU A 38 -4.532 -12.929 0.017 1.00 11.20 H new ATOM 0 HD21 LEU A 38 -5.326 -15.306 -1.764 1.00 53.31 H new ATOM 0 HD22 LEU A 38 -4.971 -15.410 -0.023 1.00 53.31 H new ATOM 0 HD23 LEU A 38 -6.525 -16.007 -0.651 1.00 53.31 H new ATOM 546 N LEU A 39 -9.058 -13.436 3.009 1.00 33.41 N ATOM 547 CA LEU A 39 -9.312 -13.142 4.398 1.00 4.25 C ATOM 548 C LEU A 39 -10.569 -13.834 4.906 1.00 61.31 C ATOM 549 O LEU A 39 -10.733 -14.027 6.113 1.00 12.35 O ATOM 550 CB LEU A 39 -9.376 -11.631 4.607 1.00 2.43 C ATOM 551 CG LEU A 39 -8.112 -10.850 4.210 1.00 10.22 C ATOM 552 CD1 LEU A 39 -8.325 -9.366 4.390 1.00 53.35 C ATOM 553 CD2 LEU A 39 -6.906 -11.311 5.018 1.00 2.44 C ATOM 0 H LEU A 39 -9.389 -12.725 2.357 1.00 33.41 H new ATOM 0 HA LEU A 39 -8.485 -13.538 4.987 1.00 4.25 H new ATOM 0 HB2 LEU A 39 -10.218 -11.239 4.036 1.00 2.43 H new ATOM 0 HB3 LEU A 39 -9.586 -11.437 5.659 1.00 2.43 H new ATOM 0 HG LEU A 39 -7.914 -11.050 3.157 1.00 10.22 H new ATOM 0 HD11 LEU A 39 -7.419 -8.831 4.104 1.00 53.35 H new ATOM 0 HD12 LEU A 39 -9.154 -9.039 3.762 1.00 53.35 H new ATOM 0 HD13 LEU A 39 -8.556 -9.156 5.434 1.00 53.35 H new ATOM 0 HD21 LEU A 39 -6.027 -10.742 4.716 1.00 2.44 H new ATOM 0 HD22 LEU A 39 -7.096 -11.150 6.079 1.00 2.44 H new ATOM 0 HD23 LEU A 39 -6.731 -12.372 4.838 1.00 2.44 H new ATOM 565 N GLY A 40 -11.420 -14.257 3.992 1.00 34.33 N ATOM 566 CA GLY A 40 -12.653 -14.918 4.367 1.00 72.11 C ATOM 567 C GLY A 40 -13.666 -13.915 4.848 1.00 74.52 C ATOM 568 O GLY A 40 -14.545 -14.229 5.644 1.00 63.23 O ATOM 0 H GLY A 40 -11.280 -14.155 2.987 1.00 34.33 H new ATOM 0 HA2 GLY A 40 -13.052 -15.466 3.514 1.00 72.11 H new ATOM 0 HA3 GLY A 40 -12.456 -15.649 5.151 1.00 72.11 H new ATOM 572 N VAL A 41 -13.535 -12.713 4.353 1.00 50.21 N ATOM 573 CA VAL A 41 -14.378 -11.608 4.742 1.00 74.30 C ATOM 574 C VAL A 41 -15.132 -11.122 3.519 1.00 10.51 C ATOM 575 O VAL A 41 -14.735 -11.428 2.406 1.00 23.31 O ATOM 576 CB VAL A 41 -13.532 -10.420 5.325 1.00 65.54 C ATOM 577 CG1 VAL A 41 -12.709 -10.858 6.520 1.00 30.10 C ATOM 578 CG2 VAL A 41 -12.638 -9.781 4.260 1.00 14.44 C ATOM 0 H VAL A 41 -12.830 -12.468 3.658 1.00 50.21 H new ATOM 0 HA VAL A 41 -15.065 -11.950 5.516 1.00 74.30 H new ATOM 0 HB VAL A 41 -14.241 -9.664 5.661 1.00 65.54 H new ATOM 0 HG11 VAL A 41 -12.136 -10.011 6.898 1.00 30.10 H new ATOM 0 HG12 VAL A 41 -13.372 -11.226 7.303 1.00 30.10 H new ATOM 0 HG13 VAL A 41 -12.026 -11.653 6.220 1.00 30.10 H new ATOM 0 HG21 VAL A 41 -12.070 -8.964 4.704 1.00 14.44 H new ATOM 0 HG22 VAL A 41 -11.950 -10.529 3.866 1.00 14.44 H new ATOM 0 HG23 VAL A 41 -13.256 -9.394 3.450 1.00 14.44 H new ATOM 588 N PRO A 42 -16.245 -10.415 3.682 1.00 60.25 N ATOM 589 CA PRO A 42 -16.925 -9.816 2.551 1.00 31.25 C ATOM 590 C PRO A 42 -16.162 -8.577 2.050 1.00 35.21 C ATOM 591 O PRO A 42 -15.318 -7.993 2.785 1.00 13.00 O ATOM 592 CB PRO A 42 -18.287 -9.415 3.123 1.00 53.54 C ATOM 593 CG PRO A 42 -18.030 -9.199 4.571 1.00 23.30 C ATOM 594 CD PRO A 42 -16.966 -10.189 4.954 1.00 54.34 C ATOM 0 HA PRO A 42 -17.002 -10.489 1.697 1.00 31.25 H new ATOM 0 HB2 PRO A 42 -18.667 -8.511 2.648 1.00 53.54 H new ATOM 0 HB3 PRO A 42 -19.031 -10.196 2.963 1.00 53.54 H new ATOM 0 HG2 PRO A 42 -17.699 -8.178 4.761 1.00 23.30 H new ATOM 0 HG3 PRO A 42 -18.937 -9.354 5.156 1.00 23.30 H new ATOM 0 HD2 PRO A 42 -16.307 -9.793 5.726 1.00 54.34 H new ATOM 0 HD3 PRO A 42 -17.395 -11.112 5.344 1.00 54.34 H new ATOM 602 N VAL A 43 -16.460 -8.170 0.819 1.00 12.21 N ATOM 603 CA VAL A 43 -15.852 -6.981 0.195 1.00 65.05 C ATOM 604 C VAL A 43 -16.056 -5.758 1.094 1.00 63.32 C ATOM 605 O VAL A 43 -15.195 -4.889 1.194 1.00 21.24 O ATOM 606 CB VAL A 43 -16.473 -6.690 -1.199 1.00 72.11 C ATOM 607 CG1 VAL A 43 -15.769 -5.529 -1.894 1.00 24.41 C ATOM 608 CG2 VAL A 43 -16.444 -7.928 -2.072 1.00 24.32 C ATOM 0 H VAL A 43 -17.130 -8.651 0.219 1.00 12.21 H new ATOM 0 HA VAL A 43 -14.788 -7.183 0.068 1.00 65.05 H new ATOM 0 HB VAL A 43 -17.512 -6.403 -1.040 1.00 72.11 H new ATOM 0 HG11 VAL A 43 -16.230 -5.354 -2.866 1.00 24.41 H new ATOM 0 HG12 VAL A 43 -15.858 -4.631 -1.283 1.00 24.41 H new ATOM 0 HG13 VAL A 43 -14.715 -5.772 -2.030 1.00 24.41 H new ATOM 0 HG21 VAL A 43 -16.884 -7.699 -3.043 1.00 24.32 H new ATOM 0 HG22 VAL A 43 -15.413 -8.253 -2.209 1.00 24.32 H new ATOM 0 HG23 VAL A 43 -17.015 -8.724 -1.594 1.00 24.32 H new ATOM 618 N SER A 44 -17.183 -5.744 1.768 1.00 11.55 N ATOM 619 CA SER A 44 -17.546 -4.709 2.688 1.00 42.21 C ATOM 620 C SER A 44 -16.491 -4.548 3.819 1.00 0.24 C ATOM 621 O SER A 44 -16.127 -3.433 4.167 1.00 42.31 O ATOM 622 CB SER A 44 -18.906 -5.068 3.230 1.00 74.23 C ATOM 623 OG SER A 44 -19.765 -5.424 2.148 1.00 72.11 O ATOM 0 H SER A 44 -17.888 -6.477 1.684 1.00 11.55 H new ATOM 0 HA SER A 44 -17.580 -3.742 2.187 1.00 42.21 H new ATOM 0 HB2 SER A 44 -18.823 -5.898 3.932 1.00 74.23 H new ATOM 0 HB3 SER A 44 -19.325 -4.226 3.780 1.00 74.23 H new ATOM 0 HG SER A 44 -20.650 -5.660 2.497 1.00 72.11 H new ATOM 629 N LYS A 45 -15.968 -5.660 4.352 1.00 42.33 N ATOM 630 CA LYS A 45 -14.919 -5.568 5.370 1.00 61.55 C ATOM 631 C LYS A 45 -13.626 -5.068 4.769 1.00 13.20 C ATOM 632 O LYS A 45 -12.849 -4.385 5.422 1.00 11.44 O ATOM 633 CB LYS A 45 -14.703 -6.856 6.157 1.00 2.05 C ATOM 634 CG LYS A 45 -15.885 -7.230 7.036 1.00 60.02 C ATOM 635 CD LYS A 45 -15.536 -8.310 8.055 1.00 35.31 C ATOM 636 CE LYS A 45 -14.518 -7.812 9.088 1.00 70.12 C ATOM 637 NZ LYS A 45 -14.995 -6.601 9.809 1.00 33.21 N ATOM 0 H LYS A 45 -16.246 -6.609 4.102 1.00 42.33 H new ATOM 0 HA LYS A 45 -15.274 -4.839 6.099 1.00 61.55 H new ATOM 0 HB2 LYS A 45 -14.506 -7.670 5.460 1.00 2.05 H new ATOM 0 HB3 LYS A 45 -13.816 -6.748 6.781 1.00 2.05 H new ATOM 0 HG2 LYS A 45 -16.240 -6.342 7.559 1.00 60.02 H new ATOM 0 HG3 LYS A 45 -16.705 -7.579 6.408 1.00 60.02 H new ATOM 0 HD2 LYS A 45 -16.443 -8.634 8.566 1.00 35.31 H new ATOM 0 HD3 LYS A 45 -15.133 -9.181 7.538 1.00 35.31 H new ATOM 0 HE2 LYS A 45 -14.316 -8.605 9.808 1.00 70.12 H new ATOM 0 HE3 LYS A 45 -13.576 -7.587 8.588 1.00 70.12 H new ATOM 0 HZ1 LYS A 45 -14.389 -6.429 10.637 1.00 33.21 H new ATOM 0 HZ2 LYS A 45 -14.954 -5.779 9.173 1.00 33.21 H new ATOM 0 HZ3 LYS A 45 -15.976 -6.747 10.122 1.00 33.21 H new ATOM 651 N VAL A 46 -13.390 -5.416 3.517 1.00 21.35 N ATOM 652 CA VAL A 46 -12.230 -4.892 2.793 1.00 72.04 C ATOM 653 C VAL A 46 -12.352 -3.379 2.682 1.00 4.23 C ATOM 654 O VAL A 46 -11.386 -2.651 2.921 1.00 15.24 O ATOM 655 CB VAL A 46 -12.071 -5.529 1.387 1.00 63.01 C ATOM 656 CG1 VAL A 46 -10.839 -4.979 0.687 1.00 61.41 C ATOM 657 CG2 VAL A 46 -11.994 -7.047 1.484 1.00 2.22 C ATOM 0 H VAL A 46 -13.976 -6.053 2.978 1.00 21.35 H new ATOM 0 HA VAL A 46 -11.335 -5.155 3.357 1.00 72.04 H new ATOM 0 HB VAL A 46 -12.950 -5.269 0.797 1.00 63.01 H new ATOM 0 HG11 VAL A 46 -10.745 -5.438 -0.297 1.00 61.41 H new ATOM 0 HG12 VAL A 46 -10.935 -3.899 0.576 1.00 61.41 H new ATOM 0 HG13 VAL A 46 -9.952 -5.205 1.279 1.00 61.41 H new ATOM 0 HG21 VAL A 46 -11.883 -7.470 0.486 1.00 2.22 H new ATOM 0 HG22 VAL A 46 -11.137 -7.330 2.095 1.00 2.22 H new ATOM 0 HG23 VAL A 46 -12.907 -7.429 1.940 1.00 2.22 H new ATOM 667 N ALA A 47 -13.551 -2.920 2.388 1.00 32.50 N ATOM 668 CA ALA A 47 -13.845 -1.504 2.320 1.00 3.03 C ATOM 669 C ALA A 47 -13.621 -0.847 3.689 1.00 52.51 C ATOM 670 O ALA A 47 -13.114 0.266 3.775 1.00 60.25 O ATOM 671 CB ALA A 47 -15.266 -1.286 1.835 1.00 24.45 C ATOM 0 H ALA A 47 -14.351 -3.520 2.189 1.00 32.50 H new ATOM 0 HA ALA A 47 -13.168 -1.036 1.606 1.00 3.03 H new ATOM 0 HB1 ALA A 47 -15.475 -0.217 1.788 1.00 24.45 H new ATOM 0 HB2 ALA A 47 -15.383 -1.722 0.843 1.00 24.45 H new ATOM 0 HB3 ALA A 47 -15.963 -1.762 2.525 1.00 24.45 H new ATOM 677 N GLN A 48 -13.960 -1.572 4.752 1.00 31.14 N ATOM 678 CA GLN A 48 -13.749 -1.091 6.120 1.00 21.22 C ATOM 679 C GLN A 48 -12.257 -0.973 6.426 1.00 30.34 C ATOM 680 O GLN A 48 -11.825 -0.057 7.120 1.00 22.34 O ATOM 681 CB GLN A 48 -14.393 -2.002 7.155 1.00 55.22 C ATOM 682 CG GLN A 48 -15.901 -2.081 7.111 1.00 14.32 C ATOM 683 CD GLN A 48 -16.435 -2.977 8.208 1.00 51.42 C ATOM 684 OE1 GLN A 48 -16.600 -4.187 8.022 1.00 10.54 O ATOM 685 NE2 GLN A 48 -16.697 -2.411 9.352 1.00 53.31 N ATOM 0 H GLN A 48 -14.384 -2.498 4.695 1.00 31.14 H new ATOM 0 HA GLN A 48 -14.222 -0.111 6.181 1.00 21.22 H new ATOM 0 HB2 GLN A 48 -13.991 -3.007 7.027 1.00 55.22 H new ATOM 0 HB3 GLN A 48 -14.094 -1.663 8.147 1.00 55.22 H new ATOM 0 HG2 GLN A 48 -16.323 -1.082 7.216 1.00 14.32 H new ATOM 0 HG3 GLN A 48 -16.220 -2.461 6.140 1.00 14.32 H new ATOM 0 HE21 GLN A 48 -16.549 -1.409 9.471 1.00 53.31 H new ATOM 0 HE22 GLN A 48 -17.050 -2.970 10.129 1.00 53.31 H new ATOM 694 N GLN A 49 -11.472 -1.907 5.914 1.00 22.12 N ATOM 695 CA GLN A 49 -10.022 -1.863 6.088 1.00 61.02 C ATOM 696 C GLN A 49 -9.464 -0.639 5.424 1.00 60.35 C ATOM 697 O GLN A 49 -8.699 0.115 6.027 1.00 65.45 O ATOM 698 CB GLN A 49 -9.349 -3.102 5.521 1.00 12.25 C ATOM 699 CG GLN A 49 -9.741 -4.359 6.228 1.00 53.54 C ATOM 700 CD GLN A 49 -8.939 -5.551 5.773 1.00 73.15 C ATOM 701 OE1 GLN A 49 -9.442 -6.267 4.814 1.00 35.11 O flip ATOM 702 NE2 GLN A 49 -7.878 -5.846 6.318 1.00 35.21 N flip ATOM 0 H GLN A 49 -11.810 -2.705 5.375 1.00 22.12 H new ATOM 0 HA GLN A 49 -9.819 -1.829 7.158 1.00 61.02 H new ATOM 0 HB2 GLN A 49 -9.601 -3.193 4.464 1.00 12.25 H new ATOM 0 HB3 GLN A 49 -8.268 -2.980 5.582 1.00 12.25 H new ATOM 0 HG2 GLN A 49 -9.609 -4.225 7.302 1.00 53.54 H new ATOM 0 HG3 GLN A 49 -10.800 -4.552 6.059 1.00 53.54 H new ATOM 0 HE21 GLN A 49 -7.511 -5.262 7.069 1.00 35.21 H new ATOM 0 HE22 GLN A 49 -7.365 -6.675 6.020 1.00 35.21 H new ATOM 711 N LEU A 50 -9.915 -0.423 4.219 1.00 50.03 N ATOM 712 CA LEU A 50 -9.519 0.725 3.398 1.00 4.23 C ATOM 713 C LEU A 50 -9.932 2.035 4.090 1.00 25.03 C ATOM 714 O LEU A 50 -9.209 3.028 4.072 1.00 30.25 O ATOM 715 CB LEU A 50 -10.189 0.612 2.017 1.00 23.13 C ATOM 716 CG LEU A 50 -9.807 -0.598 1.153 1.00 54.00 C ATOM 717 CD1 LEU A 50 -10.568 -0.580 -0.160 1.00 53.54 C ATOM 718 CD2 LEU A 50 -8.312 -0.639 0.894 1.00 23.14 C ATOM 0 H LEU A 50 -10.581 -1.042 3.757 1.00 50.03 H new ATOM 0 HA LEU A 50 -8.436 0.730 3.273 1.00 4.23 H new ATOM 0 HB2 LEU A 50 -11.269 0.595 2.165 1.00 23.13 H new ATOM 0 HB3 LEU A 50 -9.959 1.516 1.454 1.00 23.13 H new ATOM 0 HG LEU A 50 -10.080 -1.498 1.704 1.00 54.00 H new ATOM 0 HD11 LEU A 50 -10.283 -1.446 -0.758 1.00 53.54 H new ATOM 0 HD12 LEU A 50 -11.639 -0.614 0.040 1.00 53.54 H new ATOM 0 HD13 LEU A 50 -10.329 0.332 -0.706 1.00 53.54 H new ATOM 0 HD21 LEU A 50 -8.073 -1.507 0.280 1.00 23.14 H new ATOM 0 HD22 LEU A 50 -8.008 0.269 0.373 1.00 23.14 H new ATOM 0 HD23 LEU A 50 -7.780 -0.708 1.843 1.00 23.14 H new ATOM 730 N ARG A 51 -11.090 2.006 4.703 1.00 43.02 N ATOM 731 CA ARG A 51 -11.603 3.077 5.505 1.00 24.53 C ATOM 732 C ARG A 51 -10.702 3.386 6.730 1.00 2.00 C ATOM 733 O ARG A 51 -10.412 4.549 6.999 1.00 53.52 O ATOM 734 CB ARG A 51 -13.053 2.700 5.914 1.00 25.44 C ATOM 735 CG ARG A 51 -13.528 3.196 7.263 1.00 4.13 C ATOM 736 CD ARG A 51 -13.607 4.693 7.358 1.00 53.03 C ATOM 737 NE ARG A 51 -13.869 5.101 8.741 1.00 40.41 N ATOM 738 CZ ARG A 51 -14.359 6.271 9.136 1.00 55.04 C ATOM 739 NH1 ARG A 51 -14.703 7.190 8.244 1.00 4.33 N ATOM 740 NH2 ARG A 51 -14.492 6.521 10.432 1.00 22.22 N ATOM 0 H ARG A 51 -11.720 1.205 4.652 1.00 43.02 H new ATOM 0 HA ARG A 51 -11.609 4.002 4.928 1.00 24.53 H new ATOM 0 HB2 ARG A 51 -13.732 3.083 5.152 1.00 25.44 H new ATOM 0 HB3 ARG A 51 -13.139 1.613 5.901 1.00 25.44 H new ATOM 0 HG2 ARG A 51 -14.512 2.774 7.470 1.00 4.13 H new ATOM 0 HG3 ARG A 51 -12.853 2.826 8.035 1.00 4.13 H new ATOM 0 HD2 ARG A 51 -12.673 5.136 7.011 1.00 53.03 H new ATOM 0 HD3 ARG A 51 -14.397 5.065 6.706 1.00 53.03 H new ATOM 0 HE ARG A 51 -13.654 4.421 9.471 1.00 40.41 H new ATOM 0 HH11 ARG A 51 -14.592 7.001 7.248 1.00 4.33 H new ATOM 0 HH12 ARG A 51 -15.079 8.086 8.554 1.00 4.33 H new ATOM 0 HH21 ARG A 51 -14.219 5.817 11.118 1.00 22.22 H new ATOM 0 HH22 ARG A 51 -14.867 7.417 10.743 1.00 22.22 H new ATOM 754 N GLU A 52 -10.243 2.359 7.432 1.00 54.23 N ATOM 755 CA GLU A 52 -9.523 2.582 8.690 1.00 14.20 C ATOM 756 C GLU A 52 -8.010 2.668 8.487 1.00 70.12 C ATOM 757 O GLU A 52 -7.266 3.063 9.392 1.00 13.45 O ATOM 758 CB GLU A 52 -9.839 1.466 9.688 1.00 31.31 C ATOM 759 CG GLU A 52 -11.315 1.332 10.065 1.00 31.31 C ATOM 760 CD GLU A 52 -11.896 2.569 10.735 1.00 64.20 C ATOM 761 OE1 GLU A 52 -11.314 3.049 11.722 1.00 11.40 O ATOM 762 OE2 GLU A 52 -12.946 3.063 10.288 1.00 63.00 O ATOM 0 H GLU A 52 -10.350 1.381 7.164 1.00 54.23 H new ATOM 0 HA GLU A 52 -9.862 3.540 9.083 1.00 14.20 H new ATOM 0 HB2 GLU A 52 -9.499 0.519 9.269 1.00 31.31 H new ATOM 0 HB3 GLU A 52 -9.262 1.638 10.597 1.00 31.31 H new ATOM 0 HG2 GLU A 52 -11.891 1.114 9.166 1.00 31.31 H new ATOM 0 HG3 GLU A 52 -11.433 0.479 10.734 1.00 31.31 H new ATOM 769 N GLY A 53 -7.560 2.303 7.319 1.00 10.43 N ATOM 770 CA GLY A 53 -6.147 2.299 7.054 1.00 30.05 C ATOM 771 C GLY A 53 -5.505 1.032 7.559 1.00 44.21 C ATOM 772 O GLY A 53 -4.387 1.046 8.057 1.00 44.33 O ATOM 0 H GLY A 53 -8.146 2.006 6.539 1.00 10.43 H new ATOM 0 HA2 GLY A 53 -5.974 2.396 5.982 1.00 30.05 H new ATOM 0 HA3 GLY A 53 -5.682 3.162 7.531 1.00 30.05 H new ATOM 776 N HIS A 54 -6.233 -0.063 7.458 1.00 1.23 N ATOM 777 CA HIS A 54 -5.707 -1.361 7.867 1.00 2.30 C ATOM 778 C HIS A 54 -5.082 -2.025 6.648 1.00 75.31 C ATOM 779 O HIS A 54 -4.269 -2.934 6.750 1.00 1.40 O ATOM 780 CB HIS A 54 -6.831 -2.249 8.452 1.00 43.53 C ATOM 781 CG HIS A 54 -6.343 -3.537 9.079 1.00 21.53 C ATOM 782 ND1 HIS A 54 -6.520 -4.796 8.535 1.00 50.34 N ATOM 783 CD2 HIS A 54 -5.686 -3.731 10.240 1.00 43.52 C ATOM 784 CE1 HIS A 54 -5.976 -5.685 9.369 1.00 41.32 C ATOM 785 NE2 HIS A 54 -5.454 -5.088 10.426 1.00 43.15 N ATOM 0 H HIS A 54 -7.187 -0.085 7.098 1.00 1.23 H new ATOM 0 HA HIS A 54 -4.957 -1.227 8.647 1.00 2.30 H new ATOM 0 HB2 HIS A 54 -7.377 -1.677 9.202 1.00 43.53 H new ATOM 0 HB3 HIS A 54 -7.538 -2.490 7.658 1.00 43.53 H new ATOM 0 HD2 HIS A 54 -5.385 -2.950 10.922 1.00 43.52 H new ATOM 0 HE1 HIS A 54 -5.964 -6.752 9.202 1.00 41.32 H new ATOM 0 HE2 HIS A 54 -4.980 -5.531 11.213 1.00 43.15 H new ATOM 793 N LEU A 55 -5.471 -1.524 5.499 1.00 42.21 N ATOM 794 CA LEU A 55 -5.019 -1.999 4.223 1.00 63.15 C ATOM 795 C LEU A 55 -5.289 -0.872 3.245 1.00 33.14 C ATOM 796 O LEU A 55 -6.184 -0.063 3.501 1.00 13.43 O ATOM 797 CB LEU A 55 -5.829 -3.257 3.846 1.00 72.13 C ATOM 798 CG LEU A 55 -5.471 -3.975 2.544 1.00 20.11 C ATOM 799 CD1 LEU A 55 -4.029 -4.462 2.564 1.00 20.51 C ATOM 800 CD2 LEU A 55 -6.420 -5.141 2.326 1.00 53.33 C ATOM 0 H LEU A 55 -6.132 -0.750 5.430 1.00 42.21 H new ATOM 0 HA LEU A 55 -3.963 -2.268 4.223 1.00 63.15 H new ATOM 0 HB2 LEU A 55 -5.732 -3.974 4.661 1.00 72.13 H new ATOM 0 HB3 LEU A 55 -6.880 -2.975 3.794 1.00 72.13 H new ATOM 0 HG LEU A 55 -5.572 -3.269 1.720 1.00 20.11 H new ATOM 0 HD11 LEU A 55 -3.803 -4.968 1.626 1.00 20.51 H new ATOM 0 HD12 LEU A 55 -3.359 -3.611 2.688 1.00 20.51 H new ATOM 0 HD13 LEU A 55 -3.891 -5.156 3.393 1.00 20.51 H new ATOM 0 HD21 LEU A 55 -6.163 -5.651 1.398 1.00 53.33 H new ATOM 0 HD22 LEU A 55 -6.336 -5.839 3.159 1.00 53.33 H new ATOM 0 HD23 LEU A 55 -7.443 -4.771 2.265 1.00 53.33 H new ATOM 812 N VAL A 56 -4.519 -0.780 2.175 1.00 40.50 N ATOM 813 CA VAL A 56 -4.727 0.256 1.174 1.00 12.44 C ATOM 814 C VAL A 56 -4.773 -0.370 -0.200 1.00 74.21 C ATOM 815 O VAL A 56 -4.308 -1.502 -0.384 1.00 53.13 O ATOM 816 CB VAL A 56 -3.651 1.390 1.206 1.00 72.33 C ATOM 817 CG1 VAL A 56 -3.670 2.126 2.529 1.00 42.05 C ATOM 818 CG2 VAL A 56 -2.261 0.848 0.920 1.00 11.01 C ATOM 0 H VAL A 56 -3.742 -1.410 1.975 1.00 40.50 H new ATOM 0 HA VAL A 56 -5.678 0.732 1.413 1.00 12.44 H new ATOM 0 HB VAL A 56 -3.905 2.097 0.417 1.00 72.33 H new ATOM 0 HG11 VAL A 56 -2.911 2.908 2.521 1.00 42.05 H new ATOM 0 HG12 VAL A 56 -4.652 2.574 2.682 1.00 42.05 H new ATOM 0 HG13 VAL A 56 -3.461 1.426 3.338 1.00 42.05 H new ATOM 0 HG21 VAL A 56 -1.539 1.664 0.950 1.00 11.01 H new ATOM 0 HG22 VAL A 56 -1.999 0.103 1.672 1.00 11.01 H new ATOM 0 HG23 VAL A 56 -2.246 0.387 -0.068 1.00 11.01 H new ATOM 828 N ALA A 57 -5.310 0.348 -1.145 1.00 31.02 N ATOM 829 CA ALA A 57 -5.473 -0.145 -2.478 1.00 10.03 C ATOM 830 C ALA A 57 -5.092 0.933 -3.451 1.00 12.13 C ATOM 831 O ALA A 57 -5.031 2.097 -3.082 1.00 74.45 O ATOM 832 CB ALA A 57 -6.914 -0.558 -2.700 1.00 43.12 C ATOM 0 H ALA A 57 -5.649 1.300 -1.008 1.00 31.02 H new ATOM 0 HA ALA A 57 -4.832 -1.014 -2.629 1.00 10.03 H new ATOM 0 HB1 ALA A 57 -7.033 -0.933 -3.717 1.00 43.12 H new ATOM 0 HB2 ALA A 57 -7.181 -1.342 -1.991 1.00 43.12 H new ATOM 0 HB3 ALA A 57 -7.566 0.303 -2.552 1.00 43.12 H new ATOM 838 N VAL A 58 -4.829 0.548 -4.669 1.00 24.22 N ATOM 839 CA VAL A 58 -4.491 1.468 -5.731 1.00 75.11 C ATOM 840 C VAL A 58 -5.299 1.139 -6.951 1.00 42.43 C ATOM 841 O VAL A 58 -5.919 0.077 -7.015 1.00 43.23 O ATOM 842 CB VAL A 58 -2.984 1.488 -6.060 1.00 34.55 C ATOM 843 CG1 VAL A 58 -2.226 2.167 -4.941 1.00 61.25 C ATOM 844 CG2 VAL A 58 -2.453 0.071 -6.281 1.00 51.24 C ATOM 0 H VAL A 58 -4.842 -0.429 -4.961 1.00 24.22 H new ATOM 0 HA VAL A 58 -4.734 2.472 -5.383 1.00 75.11 H new ATOM 0 HB VAL A 58 -2.837 2.048 -6.983 1.00 34.55 H new ATOM 0 HG11 VAL A 58 -1.162 2.179 -5.177 1.00 61.25 H new ATOM 0 HG12 VAL A 58 -2.584 3.190 -4.828 1.00 61.25 H new ATOM 0 HG13 VAL A 58 -2.385 1.622 -4.011 1.00 61.25 H new ATOM 0 HG21 VAL A 58 -1.388 0.113 -6.511 1.00 51.24 H new ATOM 0 HG22 VAL A 58 -2.606 -0.520 -5.378 1.00 51.24 H new ATOM 0 HG23 VAL A 58 -2.986 -0.392 -7.112 1.00 51.24 H new ATOM 854 N ARG A 59 -5.329 2.019 -7.900 1.00 44.24 N ATOM 855 CA ARG A 59 -6.156 1.818 -9.044 1.00 14.15 C ATOM 856 C ARG A 59 -5.307 1.820 -10.310 1.00 1.11 C ATOM 857 O ARG A 59 -4.467 2.706 -10.512 1.00 33.14 O ATOM 858 CB ARG A 59 -7.211 2.917 -9.081 1.00 61.11 C ATOM 859 CG ARG A 59 -8.433 2.595 -9.900 1.00 21.21 C ATOM 860 CD ARG A 59 -9.414 3.738 -9.848 1.00 70.13 C ATOM 861 NE ARG A 59 -10.704 3.394 -10.441 1.00 70.03 N ATOM 862 CZ ARG A 59 -11.557 4.266 -10.959 1.00 44.21 C ATOM 863 NH1 ARG A 59 -11.211 5.538 -11.086 1.00 3.21 N ATOM 864 NH2 ARG A 59 -12.761 3.861 -11.357 1.00 35.41 N ATOM 0 H ARG A 59 -4.789 2.885 -7.905 1.00 44.24 H new ATOM 0 HA ARG A 59 -6.654 0.850 -8.985 1.00 14.15 H new ATOM 0 HB2 ARG A 59 -7.523 3.136 -8.060 1.00 61.11 H new ATOM 0 HB3 ARG A 59 -6.755 3.825 -9.476 1.00 61.11 H new ATOM 0 HG2 ARG A 59 -8.146 2.400 -10.933 1.00 21.21 H new ATOM 0 HG3 ARG A 59 -8.903 1.686 -9.523 1.00 21.21 H new ATOM 0 HD2 ARG A 59 -9.563 4.038 -8.811 1.00 70.13 H new ATOM 0 HD3 ARG A 59 -8.994 4.597 -10.371 1.00 70.13 H new ATOM 0 HE ARG A 59 -10.968 2.409 -10.458 1.00 70.03 H new ATOM 0 HH11 ARG A 59 -10.287 5.848 -10.785 1.00 3.21 H new ATOM 0 HH12 ARG A 59 -11.869 6.208 -11.485 1.00 3.21 H new ATOM 0 HH21 ARG A 59 -13.026 2.881 -11.263 1.00 35.41 H new ATOM 0 HH22 ARG A 59 -13.418 4.531 -11.756 1.00 35.41 H new ATOM 878 N ARG A 60 -5.505 0.817 -11.133 1.00 21.44 N ATOM 879 CA ARG A 60 -4.811 0.690 -12.396 1.00 50.34 C ATOM 880 C ARG A 60 -5.849 0.535 -13.510 1.00 2.02 C ATOM 881 O ARG A 60 -6.676 -0.384 -13.472 1.00 63.22 O ATOM 882 CB ARG A 60 -3.820 -0.516 -12.399 1.00 3.54 C ATOM 883 CG ARG A 60 -4.469 -1.890 -12.228 1.00 33.15 C ATOM 884 CD ARG A 60 -3.483 -3.034 -12.422 1.00 52.22 C ATOM 885 NE ARG A 60 -2.480 -3.123 -11.359 1.00 1.31 N ATOM 886 CZ ARG A 60 -1.824 -4.237 -11.019 1.00 63.00 C ATOM 887 NH1 ARG A 60 -1.987 -5.371 -11.714 1.00 62.23 N ATOM 888 NH2 ARG A 60 -0.995 -4.201 -10.000 1.00 4.00 N ATOM 0 H ARG A 60 -6.159 0.058 -10.944 1.00 21.44 H new ATOM 0 HA ARG A 60 -4.214 1.587 -12.559 1.00 50.34 H new ATOM 0 HB2 ARG A 60 -3.265 -0.508 -13.337 1.00 3.54 H new ATOM 0 HB3 ARG A 60 -3.095 -0.372 -11.598 1.00 3.54 H new ATOM 0 HG2 ARG A 60 -4.908 -1.959 -11.232 1.00 33.15 H new ATOM 0 HG3 ARG A 60 -5.285 -1.994 -12.944 1.00 33.15 H new ATOM 0 HD2 ARG A 60 -4.033 -3.974 -12.472 1.00 52.22 H new ATOM 0 HD3 ARG A 60 -2.977 -2.910 -13.379 1.00 52.22 H new ATOM 0 HE ARG A 60 -2.266 -2.272 -10.839 1.00 1.31 H new ATOM 0 HH11 ARG A 60 -2.619 -5.392 -12.515 1.00 62.23 H new ATOM 0 HH12 ARG A 60 -1.479 -6.213 -11.442 1.00 62.23 H new ATOM 0 HH21 ARG A 60 -0.860 -3.332 -9.482 1.00 4.00 H new ATOM 0 HH22 ARG A 60 -0.486 -5.042 -9.727 1.00 4.00 H new ATOM 902 N ALA A 61 -5.878 1.492 -14.431 1.00 5.43 N ATOM 903 CA ALA A 61 -6.772 1.467 -15.610 1.00 53.01 C ATOM 904 C ALA A 61 -8.263 1.416 -15.226 1.00 62.01 C ATOM 905 O ALA A 61 -9.106 1.047 -16.039 1.00 43.05 O ATOM 906 CB ALA A 61 -6.407 0.302 -16.537 1.00 63.22 C ATOM 0 H ALA A 61 -5.282 2.318 -14.391 1.00 5.43 H new ATOM 0 HA ALA A 61 -6.620 2.405 -16.143 1.00 53.01 H new ATOM 0 HB1 ALA A 61 -7.075 0.299 -17.398 1.00 63.22 H new ATOM 0 HB2 ALA A 61 -5.377 0.416 -16.876 1.00 63.22 H new ATOM 0 HB3 ALA A 61 -6.509 -0.639 -15.996 1.00 63.22 H new ATOM 912 N GLY A 62 -8.575 1.813 -14.008 1.00 23.12 N ATOM 913 CA GLY A 62 -9.942 1.807 -13.551 1.00 11.20 C ATOM 914 C GLY A 62 -10.211 0.746 -12.509 1.00 74.24 C ATOM 915 O GLY A 62 -11.191 0.837 -11.769 1.00 11.34 O ATOM 0 H GLY A 62 -7.897 2.143 -13.321 1.00 23.12 H new ATOM 0 HA2 GLY A 62 -10.185 2.785 -13.137 1.00 11.20 H new ATOM 0 HA3 GLY A 62 -10.603 1.648 -14.403 1.00 11.20 H new ATOM 919 N GLY A 63 -9.326 -0.220 -12.413 1.00 0.32 N ATOM 920 CA GLY A 63 -9.512 -1.316 -11.494 1.00 51.14 C ATOM 921 C GLY A 63 -8.788 -1.093 -10.213 1.00 24.14 C ATOM 922 O GLY A 63 -7.666 -0.594 -10.211 1.00 23.10 O ATOM 0 H GLY A 63 -8.468 -0.268 -12.963 1.00 0.32 H new ATOM 0 HA2 GLY A 63 -10.575 -1.445 -11.293 1.00 51.14 H new ATOM 0 HA3 GLY A 63 -9.161 -2.240 -11.954 1.00 51.14 H new ATOM 926 N VAL A 64 -9.404 -1.465 -9.132 1.00 24.04 N ATOM 927 CA VAL A 64 -8.825 -1.276 -7.825 1.00 0.05 C ATOM 928 C VAL A 64 -8.162 -2.572 -7.408 1.00 60.54 C ATOM 929 O VAL A 64 -8.806 -3.616 -7.331 1.00 42.21 O ATOM 930 CB VAL A 64 -9.902 -0.875 -6.787 1.00 74.54 C ATOM 931 CG1 VAL A 64 -9.292 -0.647 -5.413 1.00 21.21 C ATOM 932 CG2 VAL A 64 -10.645 0.364 -7.245 1.00 21.13 C ATOM 0 H VAL A 64 -10.322 -1.909 -9.125 1.00 24.04 H new ATOM 0 HA VAL A 64 -8.094 -0.469 -7.869 1.00 0.05 H new ATOM 0 HB VAL A 64 -10.609 -1.701 -6.707 1.00 74.54 H new ATOM 0 HG11 VAL A 64 -10.076 -0.367 -4.709 1.00 21.21 H new ATOM 0 HG12 VAL A 64 -8.809 -1.563 -5.073 1.00 21.21 H new ATOM 0 HG13 VAL A 64 -8.554 0.153 -5.471 1.00 21.21 H new ATOM 0 HG21 VAL A 64 -11.398 0.632 -6.504 1.00 21.13 H new ATOM 0 HG22 VAL A 64 -9.941 1.188 -7.361 1.00 21.13 H new ATOM 0 HG23 VAL A 64 -11.131 0.165 -8.200 1.00 21.13 H new ATOM 942 N VAL A 65 -6.899 -2.502 -7.159 1.00 42.23 N ATOM 943 CA VAL A 65 -6.105 -3.653 -6.853 1.00 25.44 C ATOM 944 C VAL A 65 -5.261 -3.415 -5.617 1.00 25.01 C ATOM 945 O VAL A 65 -4.955 -2.266 -5.259 1.00 63.11 O ATOM 946 CB VAL A 65 -5.194 -4.041 -8.050 1.00 12.44 C ATOM 947 CG1 VAL A 65 -6.013 -4.627 -9.197 1.00 12.12 C ATOM 948 CG2 VAL A 65 -4.421 -2.828 -8.540 1.00 51.10 C ATOM 0 H VAL A 65 -6.374 -1.627 -7.161 1.00 42.23 H new ATOM 0 HA VAL A 65 -6.789 -4.479 -6.657 1.00 25.44 H new ATOM 0 HB VAL A 65 -4.492 -4.800 -7.703 1.00 12.44 H new ATOM 0 HG11 VAL A 65 -5.349 -4.889 -10.021 1.00 12.12 H new ATOM 0 HG12 VAL A 65 -6.535 -5.520 -8.853 1.00 12.12 H new ATOM 0 HG13 VAL A 65 -6.741 -3.891 -9.538 1.00 12.12 H new ATOM 0 HG21 VAL A 65 -3.787 -3.115 -9.379 1.00 51.10 H new ATOM 0 HG22 VAL A 65 -5.120 -2.056 -8.861 1.00 51.10 H new ATOM 0 HG23 VAL A 65 -3.800 -2.441 -7.732 1.00 51.10 H new ATOM 958 N ILE A 66 -4.917 -4.484 -4.960 1.00 72.25 N ATOM 959 CA ILE A 66 -4.114 -4.454 -3.769 1.00 32.25 C ATOM 960 C ILE A 66 -2.926 -5.390 -3.981 1.00 23.13 C ATOM 961 O ILE A 66 -3.110 -6.587 -4.176 1.00 73.22 O ATOM 962 CB ILE A 66 -4.934 -4.910 -2.522 1.00 24.22 C ATOM 963 CG1 ILE A 66 -6.169 -4.003 -2.352 1.00 71.44 C ATOM 964 CG2 ILE A 66 -4.058 -4.867 -1.268 1.00 12.34 C ATOM 965 CD1 ILE A 66 -7.079 -4.358 -1.196 1.00 3.41 C ATOM 0 H ILE A 66 -5.193 -5.424 -5.243 1.00 72.25 H new ATOM 0 HA ILE A 66 -3.777 -3.434 -3.583 1.00 32.25 H new ATOM 0 HB ILE A 66 -5.269 -5.937 -2.670 1.00 24.22 H new ATOM 0 HG12 ILE A 66 -5.829 -2.975 -2.223 1.00 71.44 H new ATOM 0 HG13 ILE A 66 -6.751 -4.033 -3.273 1.00 71.44 H new ATOM 0 HG21 ILE A 66 -4.642 -5.187 -0.405 1.00 12.34 H new ATOM 0 HG22 ILE A 66 -3.205 -5.534 -1.397 1.00 12.34 H new ATOM 0 HG23 ILE A 66 -3.702 -3.849 -1.108 1.00 12.34 H new ATOM 0 HD11 ILE A 66 -7.916 -3.660 -1.164 1.00 3.41 H new ATOM 0 HD12 ILE A 66 -7.457 -5.372 -1.328 1.00 3.41 H new ATOM 0 HD13 ILE A 66 -6.521 -4.298 -0.262 1.00 3.41 H new ATOM 977 N PRO A 67 -1.709 -4.845 -4.025 1.00 21.51 N ATOM 978 CA PRO A 67 -0.473 -5.632 -4.228 1.00 2.03 C ATOM 979 C PRO A 67 -0.302 -6.761 -3.201 1.00 13.53 C ATOM 980 O PRO A 67 -0.466 -6.537 -1.994 1.00 21.00 O ATOM 981 CB PRO A 67 0.625 -4.588 -4.022 1.00 45.43 C ATOM 982 CG PRO A 67 -0.011 -3.301 -4.387 1.00 75.24 C ATOM 983 CD PRO A 67 -1.420 -3.402 -3.902 1.00 62.54 C ATOM 0 HA PRO A 67 -0.467 -6.127 -5.199 1.00 2.03 H new ATOM 0 HB2 PRO A 67 0.975 -4.579 -2.990 1.00 45.43 H new ATOM 0 HB3 PRO A 67 1.491 -4.794 -4.650 1.00 45.43 H new ATOM 0 HG2 PRO A 67 0.505 -2.462 -3.921 1.00 75.24 H new ATOM 0 HG3 PRO A 67 0.023 -3.138 -5.464 1.00 75.24 H new ATOM 0 HD2 PRO A 67 -1.519 -3.057 -2.873 1.00 62.54 H new ATOM 0 HD3 PRO A 67 -2.099 -2.801 -4.506 1.00 62.54 H new ATOM 991 N GLN A 68 0.048 -7.976 -3.683 1.00 43.33 N ATOM 992 CA GLN A 68 0.284 -9.130 -2.808 1.00 20.30 C ATOM 993 C GLN A 68 1.366 -8.871 -1.758 1.00 44.23 C ATOM 994 O GLN A 68 1.356 -9.480 -0.699 1.00 1.30 O ATOM 995 CB GLN A 68 0.626 -10.357 -3.638 1.00 53.21 C ATOM 996 CG GLN A 68 1.023 -11.584 -2.832 1.00 72.54 C ATOM 997 CD GLN A 68 1.164 -12.808 -3.679 1.00 31.15 C ATOM 998 OE1 GLN A 68 0.355 -12.906 -4.698 1.00 20.43 O flip ATOM 999 NE2 GLN A 68 1.967 -13.676 -3.398 1.00 53.55 N flip ATOM 0 H GLN A 68 0.171 -8.175 -4.676 1.00 43.33 H new ATOM 0 HA GLN A 68 -0.642 -9.308 -2.261 1.00 20.30 H new ATOM 0 HB2 GLN A 68 -0.234 -10.610 -4.258 1.00 53.21 H new ATOM 0 HB3 GLN A 68 1.443 -10.104 -4.314 1.00 53.21 H new ATOM 0 HG2 GLN A 68 1.966 -11.389 -2.322 1.00 72.54 H new ATOM 0 HG3 GLN A 68 0.275 -11.765 -2.060 1.00 72.54 H new ATOM 0 HE21 GLN A 68 2.582 -13.560 -2.592 1.00 53.55 H new ATOM 0 HE22 GLN A 68 2.026 -14.520 -3.968 1.00 53.55 H new ATOM 1008 N VAL A 69 2.277 -7.958 -2.045 1.00 44.53 N ATOM 1009 CA VAL A 69 3.351 -7.621 -1.107 1.00 31.03 C ATOM 1010 C VAL A 69 2.834 -7.080 0.251 1.00 3.30 C ATOM 1011 O VAL A 69 3.578 -7.042 1.229 1.00 23.23 O ATOM 1012 CB VAL A 69 4.376 -6.642 -1.707 1.00 5.52 C ATOM 1013 CG1 VAL A 69 5.157 -7.294 -2.836 1.00 72.10 C ATOM 1014 CG2 VAL A 69 3.702 -5.367 -2.184 1.00 51.31 C ATOM 0 H VAL A 69 2.301 -7.432 -2.919 1.00 44.53 H new ATOM 0 HA VAL A 69 3.854 -8.569 -0.914 1.00 31.03 H new ATOM 0 HB VAL A 69 5.080 -6.375 -0.919 1.00 5.52 H new ATOM 0 HG11 VAL A 69 5.874 -6.580 -3.242 1.00 72.10 H new ATOM 0 HG12 VAL A 69 5.689 -8.166 -2.455 1.00 72.10 H new ATOM 0 HG13 VAL A 69 4.469 -7.604 -3.622 1.00 72.10 H new ATOM 0 HG21 VAL A 69 4.451 -4.694 -2.603 1.00 51.31 H new ATOM 0 HG22 VAL A 69 2.964 -5.610 -2.948 1.00 51.31 H new ATOM 0 HG23 VAL A 69 3.207 -4.881 -1.343 1.00 51.31 H new ATOM 1024 N PHE A 70 1.560 -6.692 0.296 1.00 0.53 N ATOM 1025 CA PHE A 70 0.919 -6.220 1.523 1.00 12.10 C ATOM 1026 C PHE A 70 0.449 -7.397 2.385 1.00 72.41 C ATOM 1027 O PHE A 70 -0.008 -7.224 3.525 1.00 44.31 O ATOM 1028 CB PHE A 70 -0.264 -5.298 1.186 1.00 32.02 C ATOM 1029 CG PHE A 70 0.147 -3.897 0.822 1.00 75.30 C ATOM 1030 CD1 PHE A 70 0.906 -3.636 -0.302 1.00 4.14 C ATOM 1031 CD2 PHE A 70 -0.204 -2.847 1.638 1.00 72.23 C ATOM 1032 CE1 PHE A 70 1.299 -2.348 -0.602 1.00 32.32 C ATOM 1033 CE2 PHE A 70 0.184 -1.563 1.354 1.00 24.50 C ATOM 1034 CZ PHE A 70 0.936 -1.307 0.231 1.00 53.00 C ATOM 0 H PHE A 70 0.943 -6.696 -0.517 1.00 0.53 H new ATOM 0 HA PHE A 70 1.655 -5.654 2.095 1.00 12.10 H new ATOM 0 HB2 PHE A 70 -0.825 -5.730 0.357 1.00 32.02 H new ATOM 0 HB3 PHE A 70 -0.938 -5.259 2.042 1.00 32.02 H new ATOM 0 HD1 PHE A 70 1.195 -4.448 -0.953 1.00 4.14 H new ATOM 0 HD2 PHE A 70 -0.797 -3.038 2.520 1.00 72.23 H new ATOM 0 HE1 PHE A 70 1.889 -2.154 -1.486 1.00 32.32 H new ATOM 0 HE2 PHE A 70 -0.100 -0.754 2.011 1.00 24.50 H new ATOM 0 HZ PHE A 70 1.241 -0.297 0.001 1.00 53.00 H new ATOM 1044 N PHE A 71 0.577 -8.581 1.842 1.00 53.22 N ATOM 1045 CA PHE A 71 0.172 -9.794 2.504 1.00 40.45 C ATOM 1046 C PHE A 71 1.370 -10.709 2.639 1.00 51.01 C ATOM 1047 O PHE A 71 2.383 -10.524 1.966 1.00 61.43 O ATOM 1048 CB PHE A 71 -0.928 -10.521 1.703 1.00 31.52 C ATOM 1049 CG PHE A 71 -2.206 -9.747 1.539 1.00 35.11 C ATOM 1050 CD1 PHE A 71 -2.376 -8.878 0.473 1.00 34.03 C ATOM 1051 CD2 PHE A 71 -3.238 -9.893 2.448 1.00 34.11 C ATOM 1052 CE1 PHE A 71 -3.547 -8.171 0.319 1.00 34.10 C ATOM 1053 CE2 PHE A 71 -4.414 -9.188 2.298 1.00 34.42 C ATOM 1054 CZ PHE A 71 -4.566 -8.325 1.232 1.00 0.23 C ATOM 0 H PHE A 71 0.972 -8.731 0.913 1.00 53.22 H new ATOM 0 HA PHE A 71 -0.225 -9.536 3.486 1.00 40.45 H new ATOM 0 HB2 PHE A 71 -0.538 -10.764 0.715 1.00 31.52 H new ATOM 0 HB3 PHE A 71 -1.153 -11.466 2.198 1.00 31.52 H new ATOM 0 HD1 PHE A 71 -1.580 -8.754 -0.246 1.00 34.03 H new ATOM 0 HD2 PHE A 71 -3.122 -10.566 3.284 1.00 34.11 H new ATOM 0 HE1 PHE A 71 -3.666 -7.497 -0.516 1.00 34.10 H new ATOM 0 HE2 PHE A 71 -5.214 -9.311 3.013 1.00 34.42 H new ATOM 0 HZ PHE A 71 -5.485 -7.770 1.114 1.00 0.23 H new ATOM 1064 N THR A 72 1.268 -11.664 3.504 1.00 21.50 N ATOM 1065 CA THR A 72 2.299 -12.637 3.678 1.00 34.22 C ATOM 1066 C THR A 72 2.077 -13.801 2.714 1.00 71.34 C ATOM 1067 O THR A 72 1.045 -13.854 2.011 1.00 61.12 O ATOM 1068 CB THR A 72 2.311 -13.154 5.127 1.00 15.13 C ATOM 1069 OG1 THR A 72 1.003 -13.630 5.472 1.00 72.01 O ATOM 1070 CG2 THR A 72 2.723 -12.056 6.098 1.00 33.34 C ATOM 0 H THR A 72 0.461 -11.793 4.115 1.00 21.50 H new ATOM 0 HA THR A 72 3.261 -12.170 3.466 1.00 34.22 H new ATOM 0 HB THR A 72 3.037 -13.964 5.198 1.00 15.13 H new ATOM 0 HG1 THR A 72 1.083 -14.451 6.001 1.00 72.01 H new ATOM 0 HG21 THR A 72 2.723 -12.450 7.114 1.00 33.34 H new ATOM 0 HG22 THR A 72 3.723 -11.704 5.846 1.00 33.34 H new ATOM 0 HG23 THR A 72 2.019 -11.227 6.030 1.00 33.34 H new ATOM 1078 N ASN A 73 3.013 -14.743 2.698 1.00 53.32 N ATOM 1079 CA ASN A 73 2.939 -15.944 1.840 1.00 72.31 C ATOM 1080 C ASN A 73 1.697 -16.798 2.181 1.00 71.43 C ATOM 1081 O ASN A 73 1.276 -17.641 1.404 1.00 11.15 O ATOM 1082 CB ASN A 73 4.225 -16.786 2.012 1.00 71.24 C ATOM 1083 CG ASN A 73 4.322 -17.992 1.077 1.00 10.30 C ATOM 1084 OD1 ASN A 73 3.811 -17.977 -0.041 1.00 2.34 O ATOM 1085 ND2 ASN A 73 4.994 -19.030 1.516 1.00 54.14 N ATOM 0 H ASN A 73 3.852 -14.705 3.278 1.00 53.32 H new ATOM 0 HA ASN A 73 2.851 -15.621 0.803 1.00 72.31 H new ATOM 0 HB2 ASN A 73 5.090 -16.143 1.847 1.00 71.24 H new ATOM 0 HB3 ASN A 73 4.280 -17.136 3.043 1.00 71.24 H new ATOM 0 HD21 ASN A 73 5.104 -19.854 0.925 1.00 54.14 H new ATOM 0 HD22 ASN A 73 5.407 -19.013 2.449 1.00 54.14 H new ATOM 1092 N SER A 74 1.116 -16.559 3.342 1.00 51.24 N ATOM 1093 CA SER A 74 -0.040 -17.308 3.792 1.00 73.03 C ATOM 1094 C SER A 74 -1.362 -16.572 3.504 1.00 43.02 C ATOM 1095 O SER A 74 -2.440 -17.053 3.872 1.00 0.44 O ATOM 1096 CB SER A 74 0.103 -17.596 5.281 1.00 51.20 C ATOM 1097 OG SER A 74 1.351 -18.237 5.534 1.00 1.14 O ATOM 0 H SER A 74 1.431 -15.843 3.996 1.00 51.24 H new ATOM 0 HA SER A 74 -0.079 -18.244 3.235 1.00 73.03 H new ATOM 0 HB2 SER A 74 0.040 -16.667 5.848 1.00 51.20 H new ATOM 0 HB3 SER A 74 -0.717 -18.231 5.618 1.00 51.20 H new ATOM 0 HG SER A 74 1.437 -18.418 6.493 1.00 1.14 H new ATOM 1103 N GLY A 75 -1.285 -15.427 2.843 1.00 23.42 N ATOM 1104 CA GLY A 75 -2.490 -14.664 2.544 1.00 11.52 C ATOM 1105 C GLY A 75 -3.029 -13.957 3.767 1.00 12.53 C ATOM 1106 O GLY A 75 -4.241 -13.791 3.934 1.00 21.25 O ATOM 0 H GLY A 75 -0.417 -15.010 2.508 1.00 23.42 H new ATOM 0 HA2 GLY A 75 -2.272 -13.931 1.768 1.00 11.52 H new ATOM 0 HA3 GLY A 75 -3.253 -15.332 2.146 1.00 11.52 H new ATOM 1110 N GLN A 76 -2.132 -13.576 4.634 1.00 22.52 N ATOM 1111 CA GLN A 76 -2.471 -12.862 5.847 1.00 4.13 C ATOM 1112 C GLN A 76 -1.918 -11.446 5.749 1.00 35.23 C ATOM 1113 O GLN A 76 -0.875 -11.241 5.136 1.00 75.54 O ATOM 1114 CB GLN A 76 -1.825 -13.568 7.041 1.00 54.41 C ATOM 1115 CG GLN A 76 -2.062 -12.904 8.383 1.00 50.43 C ATOM 1116 CD GLN A 76 -1.143 -13.434 9.449 1.00 32.22 C ATOM 1117 OE1 GLN A 76 -0.052 -12.906 9.661 1.00 14.41 O ATOM 1118 NE2 GLN A 76 -1.549 -14.476 10.102 1.00 63.55 N ATOM 0 H GLN A 76 -1.133 -13.751 4.523 1.00 22.52 H new ATOM 0 HA GLN A 76 -3.553 -12.835 5.976 1.00 4.13 H new ATOM 0 HB2 GLN A 76 -2.201 -14.590 7.087 1.00 54.41 H new ATOM 0 HB3 GLN A 76 -0.751 -13.631 6.869 1.00 54.41 H new ATOM 0 HG2 GLN A 76 -1.919 -11.828 8.284 1.00 50.43 H new ATOM 0 HG3 GLN A 76 -3.097 -13.061 8.687 1.00 50.43 H new ATOM 0 HE21 GLN A 76 -2.461 -14.884 9.896 1.00 63.55 H new ATOM 0 HE22 GLN A 76 -0.957 -14.889 10.823 1.00 63.55 H new ATOM 1127 N VAL A 77 -2.616 -10.490 6.319 1.00 40.32 N ATOM 1128 CA VAL A 77 -2.129 -9.123 6.386 1.00 24.20 C ATOM 1129 C VAL A 77 -0.904 -9.061 7.296 1.00 13.44 C ATOM 1130 O VAL A 77 -0.913 -9.629 8.408 1.00 13.51 O ATOM 1131 CB VAL A 77 -3.244 -8.134 6.878 1.00 40.11 C ATOM 1132 CG1 VAL A 77 -2.663 -6.799 7.316 1.00 31.32 C ATOM 1133 CG2 VAL A 77 -4.238 -7.883 5.763 1.00 33.53 C ATOM 0 H VAL A 77 -3.531 -10.632 6.747 1.00 40.32 H new ATOM 0 HA VAL A 77 -1.846 -8.808 5.382 1.00 24.20 H new ATOM 0 HB VAL A 77 -3.734 -8.599 7.734 1.00 40.11 H new ATOM 0 HG11 VAL A 77 -3.468 -6.144 7.649 1.00 31.32 H new ATOM 0 HG12 VAL A 77 -1.962 -6.958 8.135 1.00 31.32 H new ATOM 0 HG13 VAL A 77 -2.142 -6.336 6.478 1.00 31.32 H new ATOM 0 HG21 VAL A 77 -5.009 -7.196 6.111 1.00 33.53 H new ATOM 0 HG22 VAL A 77 -3.723 -7.447 4.907 1.00 33.53 H new ATOM 0 HG23 VAL A 77 -4.699 -8.826 5.467 1.00 33.53 H new ATOM 1143 N VAL A 78 0.157 -8.431 6.797 1.00 73.25 N ATOM 1144 CA VAL A 78 1.397 -8.266 7.541 1.00 44.00 C ATOM 1145 C VAL A 78 1.105 -7.567 8.869 1.00 61.42 C ATOM 1146 O VAL A 78 0.440 -6.531 8.900 1.00 52.03 O ATOM 1147 CB VAL A 78 2.434 -7.435 6.731 1.00 34.23 C ATOM 1148 CG1 VAL A 78 3.745 -7.295 7.490 1.00 64.31 C ATOM 1149 CG2 VAL A 78 2.679 -8.063 5.369 1.00 52.11 C ATOM 0 H VAL A 78 0.178 -8.021 5.863 1.00 73.25 H new ATOM 0 HA VAL A 78 1.821 -9.253 7.724 1.00 44.00 H new ATOM 0 HB VAL A 78 2.018 -6.438 6.587 1.00 34.23 H new ATOM 0 HG11 VAL A 78 4.448 -6.709 6.897 1.00 64.31 H new ATOM 0 HG12 VAL A 78 3.564 -6.792 8.440 1.00 64.31 H new ATOM 0 HG13 VAL A 78 4.164 -8.284 7.678 1.00 64.31 H new ATOM 0 HG21 VAL A 78 3.407 -7.467 4.819 1.00 52.11 H new ATOM 0 HG22 VAL A 78 3.063 -9.075 5.499 1.00 52.11 H new ATOM 0 HG23 VAL A 78 1.743 -8.099 4.811 1.00 52.11 H new ATOM 1159 N LYS A 79 1.610 -8.129 9.945 1.00 0.32 N ATOM 1160 CA LYS A 79 1.328 -7.645 11.296 1.00 2.35 C ATOM 1161 C LYS A 79 1.698 -6.169 11.540 1.00 62.33 C ATOM 1162 O LYS A 79 1.122 -5.515 12.419 1.00 4.24 O ATOM 1163 CB LYS A 79 1.979 -8.536 12.335 1.00 31.21 C ATOM 1164 CG LYS A 79 3.474 -8.579 12.257 1.00 33.14 C ATOM 1165 CD LYS A 79 4.070 -9.323 13.447 1.00 50.41 C ATOM 1166 CE LYS A 79 3.645 -10.785 13.480 1.00 23.51 C ATOM 1167 NZ LYS A 79 4.011 -11.440 14.750 1.00 33.12 N ATOM 0 H LYS A 79 2.231 -8.938 9.917 1.00 0.32 H new ATOM 0 HA LYS A 79 0.244 -7.694 11.396 1.00 2.35 H new ATOM 0 HB2 LYS A 79 1.688 -8.191 13.327 1.00 31.21 H new ATOM 0 HB3 LYS A 79 1.591 -9.549 12.223 1.00 31.21 H new ATOM 0 HG2 LYS A 79 3.778 -9.067 11.331 1.00 33.14 H new ATOM 0 HG3 LYS A 79 3.868 -7.563 12.226 1.00 33.14 H new ATOM 0 HD2 LYS A 79 5.157 -9.263 13.404 1.00 50.41 H new ATOM 0 HD3 LYS A 79 3.760 -8.835 14.371 1.00 50.41 H new ATOM 0 HE2 LYS A 79 2.567 -10.852 13.335 1.00 23.51 H new ATOM 0 HE3 LYS A 79 4.111 -11.317 12.651 1.00 23.51 H new ATOM 0 HZ1 LYS A 79 3.703 -12.433 14.730 1.00 33.12 H new ATOM 0 HZ2 LYS A 79 5.042 -11.400 14.877 1.00 33.12 H new ATOM 0 HZ3 LYS A 79 3.546 -10.950 15.540 1.00 33.12 H new ATOM 1181 N SER A 80 2.613 -5.640 10.771 1.00 42.10 N ATOM 1182 CA SER A 80 3.047 -4.278 10.966 1.00 32.14 C ATOM 1183 C SER A 80 2.466 -3.353 9.875 1.00 73.03 C ATOM 1184 O SER A 80 2.860 -2.181 9.765 1.00 10.45 O ATOM 1185 CB SER A 80 4.582 -4.227 10.982 1.00 70.10 C ATOM 1186 OG SER A 80 5.071 -2.941 11.337 1.00 61.22 O ATOM 0 H SER A 80 3.073 -6.130 10.004 1.00 42.10 H new ATOM 0 HA SER A 80 2.675 -3.918 11.925 1.00 32.14 H new ATOM 0 HB2 SER A 80 4.961 -4.966 11.688 1.00 70.10 H new ATOM 0 HB3 SER A 80 4.964 -4.500 9.998 1.00 70.10 H new ATOM 0 HG SER A 80 4.493 -2.252 10.947 1.00 61.22 H new ATOM 1192 N LEU A 81 1.521 -3.873 9.095 1.00 33.32 N ATOM 1193 CA LEU A 81 0.933 -3.117 7.995 1.00 14.10 C ATOM 1194 C LEU A 81 0.105 -1.884 8.465 1.00 62.43 C ATOM 1195 O LEU A 81 0.429 -0.754 8.076 1.00 65.04 O ATOM 1196 CB LEU A 81 0.093 -4.017 7.081 1.00 3.21 C ATOM 1197 CG LEU A 81 -0.435 -3.356 5.825 1.00 13.32 C ATOM 1198 CD1 LEU A 81 0.706 -3.014 4.905 1.00 74.33 C ATOM 1199 CD2 LEU A 81 -1.424 -4.250 5.131 1.00 53.23 C ATOM 0 H LEU A 81 1.147 -4.815 9.205 1.00 33.32 H new ATOM 0 HA LEU A 81 1.775 -2.726 7.423 1.00 14.10 H new ATOM 0 HB2 LEU A 81 0.697 -4.877 6.792 1.00 3.21 H new ATOM 0 HB3 LEU A 81 -0.753 -4.399 7.653 1.00 3.21 H new ATOM 0 HG LEU A 81 -0.949 -2.436 6.104 1.00 13.32 H new ATOM 0 HD11 LEU A 81 0.317 -2.539 4.004 1.00 74.33 H new ATOM 0 HD12 LEU A 81 1.388 -2.330 5.410 1.00 74.33 H new ATOM 0 HD13 LEU A 81 1.240 -3.925 4.633 1.00 74.33 H new ATOM 0 HD21 LEU A 81 -1.791 -3.757 4.231 1.00 53.23 H new ATOM 0 HD22 LEU A 81 -0.939 -5.187 4.859 1.00 53.23 H new ATOM 0 HD23 LEU A 81 -2.260 -4.455 5.799 1.00 53.23 H new ATOM 1211 N PRO A 82 -0.957 -2.058 9.330 1.00 61.34 N ATOM 1212 CA PRO A 82 -1.803 -0.934 9.756 1.00 10.01 C ATOM 1213 C PRO A 82 -1.013 0.182 10.432 1.00 24.44 C ATOM 1214 O PRO A 82 -1.332 1.362 10.267 1.00 43.45 O ATOM 1215 CB PRO A 82 -2.802 -1.552 10.746 1.00 73.52 C ATOM 1216 CG PRO A 82 -2.259 -2.896 11.089 1.00 33.13 C ATOM 1217 CD PRO A 82 -1.426 -3.332 9.923 1.00 44.31 C ATOM 0 HA PRO A 82 -2.281 -0.465 8.896 1.00 10.01 H new ATOM 0 HB2 PRO A 82 -2.903 -0.932 11.637 1.00 73.52 H new ATOM 0 HB3 PRO A 82 -3.794 -1.633 10.301 1.00 73.52 H new ATOM 0 HG2 PRO A 82 -1.659 -2.851 11.998 1.00 33.13 H new ATOM 0 HG3 PRO A 82 -3.067 -3.604 11.275 1.00 33.13 H new ATOM 0 HD2 PRO A 82 -0.591 -3.958 10.239 1.00 44.31 H new ATOM 0 HD3 PRO A 82 -2.009 -3.915 9.210 1.00 44.31 H new ATOM 1225 N GLY A 83 0.035 -0.192 11.156 1.00 43.45 N ATOM 1226 CA GLY A 83 0.851 0.775 11.856 1.00 72.13 C ATOM 1227 C GLY A 83 1.524 1.760 10.918 1.00 54.22 C ATOM 1228 O GLY A 83 1.495 2.969 11.162 1.00 12.44 O ATOM 0 H GLY A 83 0.335 -1.160 11.270 1.00 43.45 H new ATOM 0 HA2 GLY A 83 0.231 1.322 12.567 1.00 72.13 H new ATOM 0 HA3 GLY A 83 1.612 0.252 12.434 1.00 72.13 H new ATOM 1232 N LEU A 84 2.095 1.255 9.824 1.00 25.55 N ATOM 1233 CA LEU A 84 2.778 2.120 8.869 1.00 13.24 C ATOM 1234 C LEU A 84 1.766 3.007 8.153 1.00 71.30 C ATOM 1235 O LEU A 84 1.994 4.193 7.945 1.00 21.14 O ATOM 1236 CB LEU A 84 3.664 1.308 7.879 1.00 52.30 C ATOM 1237 CG LEU A 84 2.966 0.501 6.763 1.00 32.30 C ATOM 1238 CD1 LEU A 84 2.806 1.333 5.486 1.00 32.33 C ATOM 1239 CD2 LEU A 84 3.711 -0.794 6.484 1.00 23.45 C ATOM 0 H LEU A 84 2.098 0.264 9.581 1.00 25.55 H new ATOM 0 HA LEU A 84 3.463 2.768 9.417 1.00 13.24 H new ATOM 0 HB2 LEU A 84 4.354 2.004 7.403 1.00 52.30 H new ATOM 0 HB3 LEU A 84 4.266 0.613 8.465 1.00 52.30 H new ATOM 0 HG LEU A 84 1.966 0.246 7.114 1.00 32.30 H new ATOM 0 HD11 LEU A 84 2.311 0.734 4.721 1.00 32.33 H new ATOM 0 HD12 LEU A 84 2.205 2.217 5.700 1.00 32.33 H new ATOM 0 HD13 LEU A 84 3.788 1.641 5.127 1.00 32.33 H new ATOM 0 HD21 LEU A 84 3.200 -1.345 5.694 1.00 23.45 H new ATOM 0 HD22 LEU A 84 4.729 -0.567 6.168 1.00 23.45 H new ATOM 0 HD23 LEU A 84 3.739 -1.400 7.390 1.00 23.45 H new ATOM 1251 N LEU A 85 0.635 2.421 7.818 1.00 5.31 N ATOM 1252 CA LEU A 85 -0.416 3.114 7.101 1.00 12.40 C ATOM 1253 C LEU A 85 -0.996 4.242 7.935 1.00 74.53 C ATOM 1254 O LEU A 85 -1.201 5.344 7.441 1.00 0.43 O ATOM 1255 CB LEU A 85 -1.512 2.130 6.692 1.00 74.31 C ATOM 1256 CG LEU A 85 -1.080 0.991 5.761 1.00 53.11 C ATOM 1257 CD1 LEU A 85 -2.217 0.017 5.553 1.00 22.34 C ATOM 1258 CD2 LEU A 85 -0.610 1.538 4.426 1.00 74.23 C ATOM 0 H LEU A 85 0.418 1.448 8.036 1.00 5.31 H new ATOM 0 HA LEU A 85 0.017 3.553 6.202 1.00 12.40 H new ATOM 0 HB2 LEU A 85 -1.936 1.693 7.596 1.00 74.31 H new ATOM 0 HB3 LEU A 85 -2.310 2.689 6.204 1.00 74.31 H new ATOM 0 HG LEU A 85 -0.249 0.465 6.231 1.00 53.11 H new ATOM 0 HD11 LEU A 85 -1.893 -0.785 4.890 1.00 22.34 H new ATOM 0 HD12 LEU A 85 -2.515 -0.405 6.513 1.00 22.34 H new ATOM 0 HD13 LEU A 85 -3.064 0.537 5.106 1.00 22.34 H new ATOM 0 HD21 LEU A 85 -0.308 0.713 3.781 1.00 74.23 H new ATOM 0 HD22 LEU A 85 -1.422 2.090 3.953 1.00 74.23 H new ATOM 0 HD23 LEU A 85 0.238 2.204 4.584 1.00 74.23 H new ATOM 1270 N THR A 86 -1.202 3.974 9.202 1.00 4.34 N ATOM 1271 CA THR A 86 -1.801 4.945 10.109 1.00 12.54 C ATOM 1272 C THR A 86 -0.905 6.195 10.291 1.00 14.51 C ATOM 1273 O THR A 86 -1.390 7.333 10.199 1.00 72.11 O ATOM 1274 CB THR A 86 -2.141 4.292 11.477 1.00 34.13 C ATOM 1275 OG1 THR A 86 -3.009 3.162 11.250 1.00 12.10 O ATOM 1276 CG2 THR A 86 -2.848 5.273 12.405 1.00 22.43 C ATOM 0 H THR A 86 -0.963 3.084 9.639 1.00 4.34 H new ATOM 0 HA THR A 86 -2.733 5.283 9.655 1.00 12.54 H new ATOM 0 HB THR A 86 -1.209 3.983 11.950 1.00 34.13 H new ATOM 0 HG1 THR A 86 -2.468 2.367 11.062 1.00 12.10 H new ATOM 0 HG21 THR A 86 -3.070 4.782 13.352 1.00 22.43 H new ATOM 0 HG22 THR A 86 -2.203 6.133 12.585 1.00 22.43 H new ATOM 0 HG23 THR A 86 -3.777 5.607 11.942 1.00 22.43 H new ATOM 1284 N ILE A 87 0.397 5.983 10.491 1.00 53.45 N ATOM 1285 CA ILE A 87 1.323 7.099 10.687 1.00 61.51 C ATOM 1286 C ILE A 87 1.438 7.949 9.414 1.00 45.31 C ATOM 1287 O ILE A 87 1.386 9.180 9.466 1.00 43.41 O ATOM 1288 CB ILE A 87 2.732 6.622 11.263 1.00 33.21 C ATOM 1289 CG1 ILE A 87 3.769 7.772 11.425 1.00 5.43 C ATOM 1290 CG2 ILE A 87 3.327 5.474 10.459 1.00 20.50 C ATOM 1291 CD1 ILE A 87 4.511 8.186 10.150 1.00 23.43 C ATOM 0 H ILE A 87 0.830 5.060 10.521 1.00 53.45 H new ATOM 0 HA ILE A 87 0.907 7.749 11.457 1.00 61.51 H new ATOM 0 HB ILE A 87 2.510 6.259 12.267 1.00 33.21 H new ATOM 0 HG12 ILE A 87 3.254 8.646 11.823 1.00 5.43 H new ATOM 0 HG13 ILE A 87 4.506 7.469 12.169 1.00 5.43 H new ATOM 0 HG21 ILE A 87 4.285 5.186 10.891 1.00 20.50 H new ATOM 0 HG22 ILE A 87 2.647 4.622 10.483 1.00 20.50 H new ATOM 0 HG23 ILE A 87 3.475 5.791 9.427 1.00 20.50 H new ATOM 0 HD11 ILE A 87 5.207 8.993 10.380 1.00 23.43 H new ATOM 0 HD12 ILE A 87 5.063 7.332 9.757 1.00 23.43 H new ATOM 0 HD13 ILE A 87 3.792 8.528 9.405 1.00 23.43 H new ATOM 1303 N LEU A 88 1.548 7.290 8.282 1.00 34.21 N ATOM 1304 CA LEU A 88 1.661 7.971 7.006 1.00 3.34 C ATOM 1305 C LEU A 88 0.386 8.721 6.652 1.00 72.44 C ATOM 1306 O LEU A 88 0.442 9.839 6.124 1.00 14.45 O ATOM 1307 CB LEU A 88 2.012 6.975 5.932 1.00 32.34 C ATOM 1308 CG LEU A 88 3.429 6.425 5.969 1.00 53.44 C ATOM 1309 CD1 LEU A 88 3.494 5.151 5.190 1.00 74.51 C ATOM 1310 CD2 LEU A 88 4.392 7.461 5.396 1.00 50.23 C ATOM 0 H LEU A 88 1.562 6.272 8.217 1.00 34.21 H new ATOM 0 HA LEU A 88 2.456 8.713 7.083 1.00 3.34 H new ATOM 0 HB2 LEU A 88 1.317 6.138 5.999 1.00 32.34 H new ATOM 0 HB3 LEU A 88 1.851 7.445 4.962 1.00 32.34 H new ATOM 0 HG LEU A 88 3.717 6.214 6.999 1.00 53.44 H new ATOM 0 HD11 LEU A 88 4.511 4.759 5.218 1.00 74.51 H new ATOM 0 HD12 LEU A 88 2.812 4.422 5.627 1.00 74.51 H new ATOM 0 HD13 LEU A 88 3.207 5.342 4.156 1.00 74.51 H new ATOM 0 HD21 LEU A 88 5.408 7.067 5.422 1.00 50.23 H new ATOM 0 HD22 LEU A 88 4.116 7.684 4.365 1.00 50.23 H new ATOM 0 HD23 LEU A 88 4.341 8.373 5.990 1.00 50.23 H new ATOM 1322 N HIS A 89 -0.754 8.129 6.966 1.00 70.34 N ATOM 1323 CA HIS A 89 -2.037 8.755 6.700 1.00 3.22 C ATOM 1324 C HIS A 89 -2.162 10.044 7.508 1.00 52.30 C ATOM 1325 O HIS A 89 -2.595 11.079 6.982 1.00 51.10 O ATOM 1326 CB HIS A 89 -3.200 7.796 7.020 1.00 42.20 C ATOM 1327 CG HIS A 89 -4.556 8.346 6.679 1.00 60.55 C ATOM 1328 ND1 HIS A 89 -5.571 8.533 7.596 1.00 71.14 N ATOM 1329 CD2 HIS A 89 -5.054 8.743 5.484 1.00 34.32 C ATOM 1330 CE1 HIS A 89 -6.627 9.027 6.938 1.00 2.32 C ATOM 1331 NE2 HIS A 89 -6.364 9.174 5.652 1.00 52.45 N ATOM 0 H HIS A 89 -0.816 7.212 7.407 1.00 70.34 H new ATOM 0 HA HIS A 89 -2.091 8.996 5.638 1.00 3.22 H new ATOM 0 HB2 HIS A 89 -3.050 6.864 6.475 1.00 42.20 H new ATOM 0 HB3 HIS A 89 -3.175 7.552 8.082 1.00 42.20 H new ATOM 0 HD2 HIS A 89 -4.517 8.727 4.547 1.00 34.32 H new ATOM 0 HE1 HIS A 89 -7.572 9.274 7.399 1.00 2.32 H new ATOM 0 HE2 HIS A 89 -6.992 9.530 4.932 1.00 52.45 H new ATOM 1339 N ASP A 90 -1.740 9.989 8.764 1.00 1.54 N ATOM 1340 CA ASP A 90 -1.783 11.157 9.645 1.00 40.22 C ATOM 1341 C ASP A 90 -0.760 12.200 9.209 1.00 2.04 C ATOM 1342 O ASP A 90 -0.973 13.406 9.365 1.00 61.55 O ATOM 1343 CB ASP A 90 -1.533 10.760 11.098 1.00 13.33 C ATOM 1344 CG ASP A 90 -1.608 11.942 12.035 1.00 70.24 C ATOM 1345 OD1 ASP A 90 -2.738 12.336 12.425 1.00 74.25 O ATOM 1346 OD2 ASP A 90 -0.548 12.486 12.430 1.00 22.23 O ATOM 0 H ASP A 90 -1.362 9.148 9.200 1.00 1.54 H new ATOM 0 HA ASP A 90 -2.781 11.589 9.571 1.00 40.22 H new ATOM 0 HB2 ASP A 90 -2.267 10.013 11.400 1.00 13.33 H new ATOM 0 HB3 ASP A 90 -0.551 10.294 11.182 1.00 13.33 H new ATOM 1351 N GLY A 91 0.313 11.727 8.598 1.00 63.04 N ATOM 1352 CA GLY A 91 1.371 12.597 8.134 1.00 63.33 C ATOM 1353 C GLY A 91 1.031 13.290 6.827 1.00 5.42 C ATOM 1354 O GLY A 91 1.823 14.079 6.316 1.00 4.33 O ATOM 0 H GLY A 91 0.471 10.737 8.412 1.00 63.04 H new ATOM 0 HA2 GLY A 91 1.577 13.349 8.896 1.00 63.33 H new ATOM 0 HA3 GLY A 91 2.284 12.015 8.005 1.00 63.33 H new ATOM 1358 N GLY A 92 -0.136 12.990 6.288 1.00 30.25 N ATOM 1359 CA GLY A 92 -0.591 13.654 5.087 1.00 30.24 C ATOM 1360 C GLY A 92 -0.188 12.937 3.828 1.00 62.14 C ATOM 1361 O GLY A 92 -0.106 13.539 2.758 1.00 73.01 O ATOM 0 H GLY A 92 -0.781 12.294 6.662 1.00 30.25 H new ATOM 0 HA2 GLY A 92 -1.677 13.741 5.117 1.00 30.24 H new ATOM 0 HA3 GLY A 92 -0.190 14.667 5.065 1.00 30.24 H new ATOM 1365 N TYR A 93 0.067 11.663 3.936 1.00 41.22 N ATOM 1366 CA TYR A 93 0.442 10.885 2.791 1.00 12.22 C ATOM 1367 C TYR A 93 -0.721 10.053 2.304 1.00 63.03 C ATOM 1368 O TYR A 93 -1.560 9.604 3.097 1.00 63.23 O ATOM 1369 CB TYR A 93 1.675 10.015 3.085 1.00 24.13 C ATOM 1370 CG TYR A 93 2.929 10.829 3.324 1.00 30.44 C ATOM 1371 CD1 TYR A 93 3.759 11.169 2.269 1.00 32.00 C ATOM 1372 CD2 TYR A 93 3.271 11.271 4.592 1.00 0.02 C ATOM 1373 CE1 TYR A 93 4.892 11.925 2.466 1.00 61.43 C ATOM 1374 CE2 TYR A 93 4.406 12.029 4.800 1.00 2.24 C ATOM 1375 CZ TYR A 93 5.214 12.355 3.732 1.00 31.34 C ATOM 1376 OH TYR A 93 6.348 13.120 3.924 1.00 45.01 O ATOM 0 H TYR A 93 0.021 11.140 4.811 1.00 41.22 H new ATOM 0 HA TYR A 93 0.717 11.573 1.992 1.00 12.22 H new ATOM 0 HB2 TYR A 93 1.477 9.397 3.961 1.00 24.13 H new ATOM 0 HB3 TYR A 93 1.842 9.337 2.248 1.00 24.13 H new ATOM 0 HD1 TYR A 93 3.512 10.834 1.272 1.00 32.00 H new ATOM 0 HD2 TYR A 93 2.640 11.018 5.431 1.00 0.02 H new ATOM 0 HE1 TYR A 93 5.526 12.180 1.630 1.00 61.43 H new ATOM 0 HE2 TYR A 93 4.660 12.365 5.795 1.00 2.24 H new ATOM 0 HH TYR A 93 6.907 12.709 4.616 1.00 45.01 H new ATOM 1386 N ARG A 94 -0.794 9.901 1.002 1.00 4.33 N ATOM 1387 CA ARG A 94 -1.811 9.092 0.359 1.00 51.31 C ATOM 1388 C ARG A 94 -1.240 7.712 0.066 1.00 44.14 C ATOM 1389 O ARG A 94 -0.029 7.505 0.184 1.00 71.01 O ATOM 1390 CB ARG A 94 -2.334 9.732 -0.949 1.00 64.13 C ATOM 1391 CG ARG A 94 -1.270 9.919 -2.013 1.00 42.03 C ATOM 1392 CD ARG A 94 -1.845 10.337 -3.348 1.00 34.54 C ATOM 1393 NE ARG A 94 -0.784 10.479 -4.359 1.00 1.44 N ATOM 1394 CZ ARG A 94 -0.978 10.540 -5.684 1.00 51.11 C ATOM 1395 NH1 ARG A 94 -2.209 10.413 -6.193 1.00 50.14 N ATOM 1396 NH2 ARG A 94 0.060 10.708 -6.496 1.00 20.23 N ATOM 0 H ARG A 94 -0.143 10.339 0.350 1.00 4.33 H new ATOM 0 HA ARG A 94 -2.658 9.018 1.041 1.00 51.31 H new ATOM 0 HB2 ARG A 94 -3.131 9.108 -1.353 1.00 64.13 H new ATOM 0 HB3 ARG A 94 -2.775 10.701 -0.716 1.00 64.13 H new ATOM 0 HG2 ARG A 94 -0.556 10.671 -1.678 1.00 42.03 H new ATOM 0 HG3 ARG A 94 -0.718 8.987 -2.136 1.00 42.03 H new ATOM 0 HD2 ARG A 94 -2.573 9.598 -3.682 1.00 34.54 H new ATOM 0 HD3 ARG A 94 -2.377 11.282 -3.239 1.00 34.54 H new ATOM 0 HE ARG A 94 0.178 10.536 -4.024 1.00 1.44 H new ATOM 0 HH11 ARG A 94 -3.005 10.269 -5.572 1.00 50.14 H new ATOM 0 HH12 ARG A 94 -2.351 10.460 -7.202 1.00 50.14 H new ATOM 0 HH21 ARG A 94 1.001 10.790 -6.111 1.00 20.23 H new ATOM 0 HH22 ARG A 94 -0.084 10.755 -7.505 1.00 20.23 H new ATOM 1410 N ASP A 95 -2.099 6.824 -0.373 1.00 22.33 N ATOM 1411 CA ASP A 95 -1.801 5.404 -0.671 1.00 34.32 C ATOM 1412 C ASP A 95 -0.616 5.266 -1.641 1.00 5.11 C ATOM 1413 O ASP A 95 0.302 4.448 -1.429 1.00 51.00 O ATOM 1414 CB ASP A 95 -3.051 4.798 -1.336 1.00 31.34 C ATOM 1415 CG ASP A 95 -3.450 5.586 -2.586 1.00 25.51 C ATOM 1416 OD1 ASP A 95 -3.954 6.727 -2.446 1.00 31.44 O ATOM 1417 OD2 ASP A 95 -3.138 5.145 -3.711 1.00 32.10 O ATOM 0 H ASP A 95 -3.076 7.061 -0.547 1.00 22.33 H new ATOM 0 HA ASP A 95 -1.541 4.893 0.256 1.00 34.32 H new ATOM 0 HB2 ASP A 95 -2.856 3.760 -1.604 1.00 31.34 H new ATOM 0 HB3 ASP A 95 -3.878 4.794 -0.626 1.00 31.34 H new ATOM 1422 N THR A 96 -0.619 6.098 -2.649 1.00 73.32 N ATOM 1423 CA THR A 96 0.375 6.120 -3.656 1.00 61.01 C ATOM 1424 C THR A 96 1.743 6.462 -3.043 1.00 20.42 C ATOM 1425 O THR A 96 2.751 5.851 -3.379 1.00 65.14 O ATOM 1426 CB THR A 96 -0.032 7.132 -4.737 1.00 32.31 C ATOM 1427 OG1 THR A 96 -1.383 6.828 -5.189 1.00 5.11 O ATOM 1428 CG2 THR A 96 0.923 7.092 -5.919 1.00 54.11 C ATOM 0 H THR A 96 -1.347 6.800 -2.784 1.00 73.32 H new ATOM 0 HA THR A 96 0.463 5.137 -4.118 1.00 61.01 H new ATOM 0 HB THR A 96 0.006 8.133 -4.307 1.00 32.31 H new ATOM 0 HG1 THR A 96 -1.767 6.125 -4.624 1.00 5.11 H new ATOM 0 HG21 THR A 96 0.607 7.820 -6.667 1.00 54.11 H new ATOM 0 HG22 THR A 96 1.931 7.333 -5.581 1.00 54.11 H new ATOM 0 HG23 THR A 96 0.917 6.095 -6.358 1.00 54.11 H new ATOM 1436 N GLU A 97 1.754 7.414 -2.112 1.00 10.35 N ATOM 1437 CA GLU A 97 2.991 7.827 -1.472 1.00 14.54 C ATOM 1438 C GLU A 97 3.549 6.708 -0.615 1.00 31.51 C ATOM 1439 O GLU A 97 4.757 6.551 -0.525 1.00 73.40 O ATOM 1440 CB GLU A 97 2.836 9.075 -0.604 1.00 64.44 C ATOM 1441 CG GLU A 97 2.166 10.251 -1.273 1.00 44.54 C ATOM 1442 CD GLU A 97 2.660 10.529 -2.671 1.00 24.42 C ATOM 1443 OE1 GLU A 97 3.853 10.697 -2.884 1.00 23.32 O ATOM 1444 OE2 GLU A 97 1.817 10.569 -3.589 1.00 30.12 O ATOM 0 H GLU A 97 0.923 7.909 -1.789 1.00 10.35 H new ATOM 0 HA GLU A 97 3.677 8.068 -2.284 1.00 14.54 H new ATOM 0 HB2 GLU A 97 2.263 8.810 0.285 1.00 64.44 H new ATOM 0 HB3 GLU A 97 3.824 9.386 -0.265 1.00 64.44 H new ATOM 0 HG2 GLU A 97 1.091 10.071 -1.308 1.00 44.54 H new ATOM 0 HG3 GLU A 97 2.321 11.140 -0.661 1.00 44.54 H new ATOM 1451 N ILE A 98 2.654 5.908 -0.018 1.00 11.24 N ATOM 1452 CA ILE A 98 3.077 4.839 0.889 1.00 32.02 C ATOM 1453 C ILE A 98 3.941 3.871 0.102 1.00 10.12 C ATOM 1454 O ILE A 98 5.070 3.574 0.476 1.00 24.24 O ATOM 1455 CB ILE A 98 1.861 3.990 1.394 1.00 50.55 C ATOM 1456 CG1 ILE A 98 0.672 4.832 1.864 1.00 40.10 C ATOM 1457 CG2 ILE A 98 2.279 3.031 2.477 1.00 61.11 C ATOM 1458 CD1 ILE A 98 0.979 5.901 2.879 1.00 42.04 C ATOM 0 H ILE A 98 1.645 5.981 -0.146 1.00 11.24 H new ATOM 0 HA ILE A 98 3.589 5.304 1.732 1.00 32.02 H new ATOM 0 HB ILE A 98 1.519 3.428 0.525 1.00 50.55 H new ATOM 0 HG12 ILE A 98 0.221 5.306 0.992 1.00 40.10 H new ATOM 0 HG13 ILE A 98 -0.077 4.162 2.286 1.00 40.10 H new ATOM 0 HG21 ILE A 98 1.414 2.456 2.807 1.00 61.11 H new ATOM 0 HG22 ILE A 98 3.039 2.353 2.089 1.00 61.11 H new ATOM 0 HG23 ILE A 98 2.687 3.589 3.320 1.00 61.11 H new ATOM 0 HD11 ILE A 98 0.063 6.432 3.137 1.00 42.04 H new ATOM 0 HD12 ILE A 98 1.397 5.443 3.775 1.00 42.04 H new ATOM 0 HD13 ILE A 98 1.700 6.604 2.461 1.00 42.04 H new ATOM 1470 N MET A 99 3.429 3.463 -1.049 1.00 24.24 N ATOM 1471 CA MET A 99 4.142 2.537 -1.898 1.00 43.11 C ATOM 1472 C MET A 99 5.283 3.193 -2.657 1.00 13.15 C ATOM 1473 O MET A 99 6.182 2.512 -3.131 1.00 60.33 O ATOM 1474 CB MET A 99 3.216 1.750 -2.829 1.00 44.22 C ATOM 1475 CG MET A 99 2.361 2.564 -3.774 1.00 21.11 C ATOM 1476 SD MET A 99 1.485 1.507 -4.955 1.00 42.30 S ATOM 1477 CE MET A 99 0.603 0.410 -3.841 1.00 54.52 C ATOM 0 H MET A 99 2.523 3.761 -1.411 1.00 24.24 H new ATOM 0 HA MET A 99 4.594 1.811 -1.222 1.00 43.11 H new ATOM 0 HB2 MET A 99 3.826 1.069 -3.422 1.00 44.22 H new ATOM 0 HB3 MET A 99 2.557 1.136 -2.216 1.00 44.22 H new ATOM 0 HG2 MET A 99 1.640 3.148 -3.202 1.00 21.11 H new ATOM 0 HG3 MET A 99 2.988 3.273 -4.314 1.00 21.11 H new ATOM 0 HE1 MET A 99 -0.199 -0.091 -4.383 1.00 54.52 H new ATOM 0 HE2 MET A 99 1.292 -0.335 -3.443 1.00 54.52 H new ATOM 0 HE3 MET A 99 0.180 0.989 -3.020 1.00 54.52 H new ATOM 1487 N ARG A 100 5.252 4.512 -2.744 1.00 4.05 N ATOM 1488 CA ARG A 100 6.246 5.282 -3.479 1.00 34.43 C ATOM 1489 C ARG A 100 7.649 4.980 -2.964 1.00 13.34 C ATOM 1490 O ARG A 100 8.456 4.361 -3.666 1.00 14.41 O ATOM 1491 CB ARG A 100 5.923 6.765 -3.348 1.00 5.34 C ATOM 1492 CG ARG A 100 6.848 7.703 -4.080 1.00 23.03 C ATOM 1493 CD ARG A 100 6.397 9.126 -3.869 1.00 23.00 C ATOM 1494 NE ARG A 100 7.273 10.083 -4.515 1.00 72.11 N ATOM 1495 CZ ARG A 100 7.098 11.401 -4.491 1.00 24.55 C ATOM 1496 NH1 ARG A 100 6.006 11.932 -3.913 1.00 30.11 N ATOM 1497 NH2 ARG A 100 8.003 12.191 -5.063 1.00 53.00 N ATOM 0 H ARG A 100 4.532 5.085 -2.304 1.00 4.05 H new ATOM 0 HA ARG A 100 6.217 5.002 -4.532 1.00 34.43 H new ATOM 0 HB2 ARG A 100 4.908 6.930 -3.709 1.00 5.34 H new ATOM 0 HB3 ARG A 100 5.932 7.028 -2.290 1.00 5.34 H new ATOM 0 HG2 ARG A 100 7.869 7.577 -3.720 1.00 23.03 H new ATOM 0 HG3 ARG A 100 6.854 7.467 -5.144 1.00 23.03 H new ATOM 0 HD2 ARG A 100 5.385 9.245 -4.256 1.00 23.00 H new ATOM 0 HD3 ARG A 100 6.357 9.337 -2.800 1.00 23.00 H new ATOM 0 HE ARG A 100 8.080 9.720 -5.023 1.00 72.11 H new ATOM 0 HH11 ARG A 100 5.306 11.323 -3.490 1.00 30.11 H new ATOM 0 HH12 ARG A 100 5.878 12.944 -3.898 1.00 30.11 H new ATOM 0 HH21 ARG A 100 8.822 11.784 -5.515 1.00 53.00 H new ATOM 0 HH22 ARG A 100 7.878 13.203 -5.050 1.00 53.00 H new ATOM 1511 N TRP A 101 7.920 5.388 -1.738 1.00 14.42 N ATOM 1512 CA TRP A 101 9.213 5.137 -1.125 1.00 33.35 C ATOM 1513 C TRP A 101 9.428 3.654 -0.810 1.00 71.24 C ATOM 1514 O TRP A 101 10.551 3.161 -0.872 1.00 54.14 O ATOM 1515 CB TRP A 101 9.478 6.057 0.089 1.00 43.41 C ATOM 1516 CG TRP A 101 8.373 6.118 1.099 1.00 12.21 C ATOM 1517 CD1 TRP A 101 7.404 7.077 1.189 1.00 72.32 C ATOM 1518 CD2 TRP A 101 8.121 5.197 2.165 1.00 23.03 C ATOM 1519 NE1 TRP A 101 6.572 6.796 2.236 1.00 14.41 N ATOM 1520 CE2 TRP A 101 6.996 5.653 2.841 1.00 12.32 C ATOM 1521 CE3 TRP A 101 8.734 4.025 2.614 1.00 72.30 C ATOM 1522 CZ2 TRP A 101 6.480 5.000 3.915 1.00 42.02 C ATOM 1523 CZ3 TRP A 101 8.205 3.373 3.693 1.00 12.22 C ATOM 1524 CH2 TRP A 101 7.082 3.865 4.334 1.00 3.14 C ATOM 0 H TRP A 101 7.262 5.895 -1.146 1.00 14.42 H new ATOM 0 HA TRP A 101 9.967 5.399 -1.867 1.00 33.35 H new ATOM 0 HB2 TRP A 101 10.386 5.720 0.588 1.00 43.41 H new ATOM 0 HB3 TRP A 101 9.671 7.066 -0.276 1.00 43.41 H new ATOM 0 HD1 TRP A 101 7.310 7.929 0.532 1.00 72.32 H new ATOM 0 HE1 TRP A 101 5.765 7.352 2.518 1.00 14.41 H new ATOM 0 HE3 TRP A 101 9.612 3.640 2.117 1.00 72.30 H new ATOM 0 HZ2 TRP A 101 5.606 5.380 4.424 1.00 42.02 H new ATOM 0 HZ3 TRP A 101 8.668 2.465 4.049 1.00 12.22 H new ATOM 0 HH2 TRP A 101 6.680 3.333 5.183 1.00 3.14 H new ATOM 1535 N LEU A 102 8.345 2.954 -0.490 1.00 72.52 N ATOM 1536 CA LEU A 102 8.388 1.528 -0.153 1.00 52.31 C ATOM 1537 C LEU A 102 8.933 0.663 -1.280 1.00 12.25 C ATOM 1538 O LEU A 102 9.689 -0.279 -1.034 1.00 74.11 O ATOM 1539 CB LEU A 102 7.008 1.030 0.283 1.00 54.50 C ATOM 1540 CG LEU A 102 6.729 1.007 1.777 1.00 3.22 C ATOM 1541 CD1 LEU A 102 5.284 0.675 2.032 1.00 52.32 C ATOM 1542 CD2 LEU A 102 7.602 -0.016 2.452 1.00 62.22 C ATOM 0 H LEU A 102 7.408 3.357 -0.456 1.00 72.52 H new ATOM 0 HA LEU A 102 9.084 1.432 0.680 1.00 52.31 H new ATOM 0 HB2 LEU A 102 6.254 1.657 -0.194 1.00 54.50 H new ATOM 0 HB3 LEU A 102 6.874 0.020 -0.103 1.00 54.50 H new ATOM 0 HG LEU A 102 6.948 1.994 2.184 1.00 3.22 H new ATOM 0 HD11 LEU A 102 5.098 0.662 3.106 1.00 52.32 H new ATOM 0 HD12 LEU A 102 4.650 1.427 1.563 1.00 52.32 H new ATOM 0 HD13 LEU A 102 5.056 -0.305 1.612 1.00 52.32 H new ATOM 0 HD21 LEU A 102 7.393 -0.023 3.522 1.00 62.22 H new ATOM 0 HD22 LEU A 102 7.396 -1.002 2.035 1.00 62.22 H new ATOM 0 HD23 LEU A 102 8.650 0.235 2.289 1.00 62.22 H new ATOM 1554 N PHE A 103 8.561 0.968 -2.499 1.00 54.12 N ATOM 1555 CA PHE A 103 9.038 0.202 -3.636 1.00 34.25 C ATOM 1556 C PHE A 103 10.387 0.690 -4.130 1.00 15.11 C ATOM 1557 O PHE A 103 10.981 0.085 -5.016 1.00 63.34 O ATOM 1558 CB PHE A 103 8.011 0.156 -4.773 1.00 4.42 C ATOM 1559 CG PHE A 103 6.842 -0.769 -4.520 1.00 44.51 C ATOM 1560 CD1 PHE A 103 5.886 -0.474 -3.567 1.00 41.35 C ATOM 1561 CD2 PHE A 103 6.708 -1.937 -5.246 1.00 1.13 C ATOM 1562 CE1 PHE A 103 4.822 -1.319 -3.341 1.00 55.34 C ATOM 1563 CE2 PHE A 103 5.643 -2.785 -5.025 1.00 23.11 C ATOM 1564 CZ PHE A 103 4.700 -2.472 -4.071 1.00 51.31 C ATOM 0 H PHE A 103 7.933 1.736 -2.734 1.00 54.12 H new ATOM 0 HA PHE A 103 9.175 -0.820 -3.282 1.00 34.25 H new ATOM 0 HB2 PHE A 103 7.631 1.163 -4.945 1.00 4.42 H new ATOM 0 HB3 PHE A 103 8.514 -0.155 -5.689 1.00 4.42 H new ATOM 0 HD1 PHE A 103 5.975 0.434 -2.990 1.00 41.35 H new ATOM 0 HD2 PHE A 103 7.445 -2.189 -5.994 1.00 1.13 H new ATOM 0 HE1 PHE A 103 4.086 -1.073 -2.590 1.00 55.34 H new ATOM 0 HE2 PHE A 103 5.548 -3.694 -5.600 1.00 23.11 H new ATOM 0 HZ PHE A 103 3.865 -3.135 -3.899 1.00 51.31 H new ATOM 1574 N THR A 104 10.877 1.761 -3.551 1.00 52.13 N ATOM 1575 CA THR A 104 12.168 2.273 -3.913 1.00 31.22 C ATOM 1576 C THR A 104 13.244 1.570 -3.072 1.00 62.41 C ATOM 1577 O THR A 104 13.183 1.604 -1.837 1.00 5.12 O ATOM 1578 CB THR A 104 12.243 3.804 -3.693 1.00 43.04 C ATOM 1579 OG1 THR A 104 11.198 4.453 -4.447 1.00 22.40 O ATOM 1580 CG2 THR A 104 13.598 4.351 -4.140 1.00 0.33 C ATOM 0 H THR A 104 10.396 2.293 -2.826 1.00 52.13 H new ATOM 0 HA THR A 104 12.337 2.077 -4.972 1.00 31.22 H new ATOM 0 HB THR A 104 12.116 4.005 -2.629 1.00 43.04 H new ATOM 0 HG1 THR A 104 10.335 4.298 -4.010 1.00 22.40 H new ATOM 0 HG21 THR A 104 13.628 5.428 -3.976 1.00 0.33 H new ATOM 0 HG22 THR A 104 14.391 3.874 -3.564 1.00 0.33 H new ATOM 0 HG23 THR A 104 13.743 4.141 -5.200 1.00 0.33 H new ATOM 1588 N PRO A 105 14.200 0.872 -3.720 1.00 33.14 N ATOM 1589 CA PRO A 105 15.301 0.222 -3.017 1.00 73.44 C ATOM 1590 C PRO A 105 16.126 1.244 -2.240 1.00 24.42 C ATOM 1591 O PRO A 105 16.538 2.279 -2.791 1.00 74.45 O ATOM 1592 CB PRO A 105 16.138 -0.394 -4.145 1.00 30.45 C ATOM 1593 CG PRO A 105 15.210 -0.510 -5.298 1.00 4.20 C ATOM 1594 CD PRO A 105 14.269 0.649 -5.180 1.00 52.32 C ATOM 0 HA PRO A 105 14.959 -0.513 -2.288 1.00 73.44 H new ATOM 0 HB2 PRO A 105 16.994 0.236 -4.390 1.00 30.45 H new ATOM 0 HB3 PRO A 105 16.532 -1.369 -3.856 1.00 30.45 H new ATOM 0 HG2 PRO A 105 15.753 -0.478 -6.242 1.00 4.20 H new ATOM 0 HG3 PRO A 105 14.670 -1.457 -5.272 1.00 4.20 H new ATOM 0 HD2 PRO A 105 14.643 1.528 -5.706 1.00 52.32 H new ATOM 0 HD3 PRO A 105 13.290 0.419 -5.600 1.00 52.32 H new ATOM 1602 N ASP A 106 16.357 0.964 -0.984 1.00 1.12 N ATOM 1603 CA ASP A 106 17.075 1.879 -0.122 1.00 13.25 C ATOM 1604 C ASP A 106 18.539 1.506 -0.043 1.00 52.32 C ATOM 1605 O ASP A 106 18.872 0.366 0.296 1.00 11.33 O ATOM 1606 CB ASP A 106 16.482 1.902 1.283 1.00 34.34 C ATOM 1607 CG ASP A 106 17.230 2.862 2.186 1.00 24.44 C ATOM 1608 OD1 ASP A 106 17.172 4.072 1.945 1.00 23.34 O ATOM 1609 OD2 ASP A 106 17.900 2.418 3.140 1.00 53.55 O ATOM 0 H ASP A 106 16.057 0.102 -0.528 1.00 1.12 H new ATOM 0 HA ASP A 106 16.979 2.874 -0.557 1.00 13.25 H new ATOM 0 HB2 ASP A 106 15.433 2.192 1.231 1.00 34.34 H new ATOM 0 HB3 ASP A 106 16.515 0.899 1.709 1.00 34.34 H new ATOM 1614 N PRO A 107 19.438 2.452 -0.371 1.00 42.54 N ATOM 1615 CA PRO A 107 20.891 2.235 -0.327 1.00 73.22 C ATOM 1616 C PRO A 107 21.387 1.782 1.045 1.00 33.11 C ATOM 1617 O PRO A 107 22.295 0.959 1.147 1.00 34.42 O ATOM 1618 CB PRO A 107 21.472 3.614 -0.638 1.00 54.31 C ATOM 1619 CG PRO A 107 20.403 4.330 -1.374 1.00 32.35 C ATOM 1620 CD PRO A 107 19.103 3.812 -0.850 1.00 63.30 C ATOM 0 HA PRO A 107 21.187 1.448 -1.021 1.00 73.22 H new ATOM 0 HB2 PRO A 107 21.742 4.143 0.276 1.00 54.31 H new ATOM 0 HB3 PRO A 107 22.378 3.533 -1.239 1.00 54.31 H new ATOM 0 HG2 PRO A 107 20.481 5.406 -1.221 1.00 32.35 H new ATOM 0 HG3 PRO A 107 20.486 4.154 -2.446 1.00 32.35 H new ATOM 0 HD2 PRO A 107 18.718 4.437 -0.045 1.00 63.30 H new ATOM 0 HD3 PRO A 107 18.339 3.787 -1.627 1.00 63.30 H new ATOM 1628 N SER A 108 20.775 2.289 2.092 1.00 21.24 N ATOM 1629 CA SER A 108 21.215 1.973 3.431 1.00 63.51 C ATOM 1630 C SER A 108 20.520 0.734 4.008 1.00 32.45 C ATOM 1631 O SER A 108 20.784 0.334 5.150 1.00 51.50 O ATOM 1632 CB SER A 108 21.088 3.200 4.349 1.00 72.11 C ATOM 1633 OG SER A 108 19.810 3.830 4.238 1.00 22.53 O ATOM 0 H SER A 108 19.975 2.919 2.042 1.00 21.24 H new ATOM 0 HA SER A 108 22.271 1.711 3.373 1.00 63.51 H new ATOM 0 HB2 SER A 108 21.252 2.896 5.383 1.00 72.11 H new ATOM 0 HB3 SER A 108 21.868 3.919 4.100 1.00 72.11 H new ATOM 0 HG SER A 108 19.123 3.150 4.074 1.00 22.53 H new ATOM 1639 N LEU A 109 19.688 0.101 3.220 1.00 4.31 N ATOM 1640 CA LEU A 109 18.979 -1.051 3.680 1.00 54.51 C ATOM 1641 C LEU A 109 19.614 -2.309 3.131 1.00 52.34 C ATOM 1642 O LEU A 109 19.906 -2.411 1.935 1.00 5.20 O ATOM 1643 CB LEU A 109 17.510 -0.988 3.268 1.00 54.51 C ATOM 1644 CG LEU A 109 16.612 -2.108 3.796 1.00 51.51 C ATOM 1645 CD1 LEU A 109 16.486 -2.041 5.314 1.00 65.21 C ATOM 1646 CD2 LEU A 109 15.250 -2.048 3.141 1.00 21.33 C ATOM 0 H LEU A 109 19.489 0.370 2.256 1.00 4.31 H new ATOM 0 HA LEU A 109 19.031 -1.069 4.769 1.00 54.51 H new ATOM 0 HB2 LEU A 109 17.101 -0.035 3.602 1.00 54.51 H new ATOM 0 HB3 LEU A 109 17.459 -0.992 2.179 1.00 54.51 H new ATOM 0 HG LEU A 109 17.075 -3.062 3.542 1.00 51.51 H new ATOM 0 HD11 LEU A 109 15.842 -2.849 5.662 1.00 65.21 H new ATOM 0 HD12 LEU A 109 17.473 -2.143 5.766 1.00 65.21 H new ATOM 0 HD13 LEU A 109 16.053 -1.083 5.601 1.00 65.21 H new ATOM 0 HD21 LEU A 109 14.624 -2.852 3.528 1.00 21.33 H new ATOM 0 HD22 LEU A 109 14.783 -1.088 3.359 1.00 21.33 H new ATOM 0 HD23 LEU A 109 15.360 -2.161 2.062 1.00 21.33 H new ATOM 1658 N THR A 110 19.877 -3.225 4.009 1.00 2.23 N ATOM 1659 CA THR A 110 20.385 -4.515 3.662 1.00 25.42 C ATOM 1660 C THR A 110 19.526 -5.527 4.399 1.00 11.21 C ATOM 1661 O THR A 110 19.484 -5.524 5.632 1.00 41.13 O ATOM 1662 CB THR A 110 21.861 -4.653 4.083 1.00 13.50 C ATOM 1663 OG1 THR A 110 22.618 -3.556 3.530 1.00 71.41 O ATOM 1664 CG2 THR A 110 22.445 -5.965 3.578 1.00 13.22 C ATOM 0 H THR A 110 19.741 -3.093 5.011 1.00 2.23 H new ATOM 0 HA THR A 110 20.346 -4.673 2.584 1.00 25.42 H new ATOM 0 HB THR A 110 21.916 -4.640 5.172 1.00 13.50 H new ATOM 0 HG1 THR A 110 23.557 -3.639 3.797 1.00 71.41 H new ATOM 0 HG21 THR A 110 23.488 -6.042 3.886 1.00 13.22 H new ATOM 0 HG22 THR A 110 21.881 -6.799 3.995 1.00 13.22 H new ATOM 0 HG23 THR A 110 22.385 -5.995 2.490 1.00 13.22 H new ATOM 1672 N ILE A 111 18.799 -6.333 3.665 1.00 12.22 N ATOM 1673 CA ILE A 111 17.873 -7.271 4.271 1.00 41.05 C ATOM 1674 C ILE A 111 17.995 -8.649 3.710 1.00 64.42 C ATOM 1675 O ILE A 111 18.216 -8.835 2.520 1.00 52.04 O ATOM 1676 CB ILE A 111 16.405 -6.824 4.123 1.00 64.24 C ATOM 1677 CG1 ILE A 111 16.106 -6.416 2.666 1.00 1.52 C ATOM 1678 CG2 ILE A 111 16.075 -5.736 5.113 1.00 41.13 C ATOM 1679 CD1 ILE A 111 14.681 -6.001 2.406 1.00 53.34 C ATOM 0 H ILE A 111 18.827 -6.362 2.646 1.00 12.22 H new ATOM 0 HA ILE A 111 18.148 -7.287 5.326 1.00 41.05 H new ATOM 0 HB ILE A 111 15.753 -7.666 4.355 1.00 64.24 H new ATOM 0 HG12 ILE A 111 16.765 -5.593 2.391 1.00 1.52 H new ATOM 0 HG13 ILE A 111 16.351 -7.252 2.012 1.00 1.52 H new ATOM 0 HG21 ILE A 111 15.034 -5.436 4.990 1.00 41.13 H new ATOM 0 HG22 ILE A 111 16.229 -6.107 6.126 1.00 41.13 H new ATOM 0 HG23 ILE A 111 16.723 -4.877 4.939 1.00 41.13 H new ATOM 0 HD11 ILE A 111 14.566 -5.732 1.356 1.00 53.34 H new ATOM 0 HD12 ILE A 111 14.012 -6.828 2.644 1.00 53.34 H new ATOM 0 HD13 ILE A 111 14.433 -5.142 3.030 1.00 53.34 H new ATOM 1805 N VAL A 120 20.266 -8.830 0.809 1.00 22.35 N ATOM 1806 CA VAL A 120 20.227 -7.994 -0.353 1.00 71.23 C ATOM 1807 C VAL A 120 20.551 -6.566 0.054 1.00 5.14 C ATOM 1808 O VAL A 120 19.857 -5.981 0.904 1.00 5.25 O ATOM 1809 CB VAL A 120 18.823 -8.013 -1.027 1.00 63.23 C ATOM 1810 CG1 VAL A 120 18.836 -7.235 -2.340 1.00 41.12 C ATOM 1811 CG2 VAL A 120 18.324 -9.439 -1.245 1.00 43.52 C ATOM 0 HA VAL A 120 20.957 -8.374 -1.067 1.00 71.23 H new ATOM 0 HB VAL A 120 18.128 -7.521 -0.347 1.00 63.23 H new ATOM 0 HG11 VAL A 120 17.844 -7.264 -2.790 1.00 41.12 H new ATOM 0 HG12 VAL A 120 19.117 -6.200 -2.147 1.00 41.12 H new ATOM 0 HG13 VAL A 120 19.557 -7.685 -3.022 1.00 41.12 H new ATOM 0 HG21 VAL A 120 17.342 -9.413 -1.717 1.00 43.52 H new ATOM 0 HG22 VAL A 120 19.022 -9.974 -1.889 1.00 43.52 H new ATOM 0 HG23 VAL A 120 18.251 -9.950 -0.285 1.00 43.52 H new ATOM 1821 N SER A 121 21.610 -6.039 -0.491 1.00 74.51 N ATOM 1822 CA SER A 121 21.967 -4.662 -0.274 1.00 30.12 C ATOM 1823 C SER A 121 21.193 -3.826 -1.272 1.00 50.43 C ATOM 1824 O SER A 121 21.099 -4.209 -2.449 1.00 11.32 O ATOM 1825 CB SER A 121 23.468 -4.461 -0.485 1.00 43.24 C ATOM 1826 OG SER A 121 24.236 -5.353 0.320 1.00 41.52 O ATOM 0 H SER A 121 22.251 -6.549 -1.098 1.00 74.51 H new ATOM 0 HA SER A 121 21.727 -4.367 0.748 1.00 30.12 H new ATOM 0 HB2 SER A 121 23.712 -4.617 -1.536 1.00 43.24 H new ATOM 0 HB3 SER A 121 23.735 -3.432 -0.245 1.00 43.24 H new ATOM 0 HG SER A 121 25.190 -5.199 0.159 1.00 41.52 H new ATOM 1832 N ASN A 122 20.611 -2.726 -0.801 1.00 1.00 N ATOM 1833 CA ASN A 122 19.834 -1.823 -1.642 1.00 20.44 C ATOM 1834 C ASN A 122 18.579 -2.543 -2.110 1.00 74.23 C ATOM 1835 O ASN A 122 18.412 -2.892 -3.282 1.00 61.04 O ATOM 1836 CB ASN A 122 20.678 -1.248 -2.817 1.00 15.10 C ATOM 1837 CG ASN A 122 19.958 -0.225 -3.687 1.00 63.32 C ATOM 1838 OD1 ASN A 122 19.992 0.978 -3.412 1.00 15.44 O ATOM 1839 ND2 ASN A 122 19.341 -0.676 -4.750 1.00 2.40 N ATOM 0 H ASN A 122 20.666 -2.436 0.176 1.00 1.00 H new ATOM 0 HA ASN A 122 19.534 -0.953 -1.058 1.00 20.44 H new ATOM 0 HB2 ASN A 122 21.576 -0.786 -2.407 1.00 15.10 H new ATOM 0 HB3 ASN A 122 21.004 -2.074 -3.449 1.00 15.10 H new ATOM 0 HD21 ASN A 122 18.869 -0.027 -5.380 1.00 2.40 H new ATOM 0 HD22 ASN A 122 19.332 -1.676 -4.948 1.00 2.40 H new ATOM 1846 N ALA A 123 17.757 -2.855 -1.157 1.00 12.22 N ATOM 1847 CA ALA A 123 16.519 -3.540 -1.398 1.00 53.42 C ATOM 1848 C ALA A 123 15.378 -2.635 -1.013 1.00 32.11 C ATOM 1849 O ALA A 123 15.587 -1.628 -0.319 1.00 22.31 O ATOM 1850 CB ALA A 123 16.479 -4.822 -0.595 1.00 44.34 C ATOM 0 H ALA A 123 17.927 -2.639 -0.175 1.00 12.22 H new ATOM 0 HA ALA A 123 16.432 -3.796 -2.454 1.00 53.42 H new ATOM 0 HB1 ALA A 123 15.537 -5.339 -0.781 1.00 44.34 H new ATOM 0 HB2 ALA A 123 17.309 -5.463 -0.891 1.00 44.34 H new ATOM 0 HB3 ALA A 123 16.561 -4.589 0.467 1.00 44.34 H new ATOM 1856 N ARG A 124 14.196 -2.956 -1.463 1.00 33.02 N ATOM 1857 CA ARG A 124 13.038 -2.157 -1.150 1.00 60.51 C ATOM 1858 C ARG A 124 12.504 -2.547 0.237 1.00 51.40 C ATOM 1859 O ARG A 124 12.432 -3.742 0.565 1.00 71.53 O ATOM 1860 CB ARG A 124 11.953 -2.300 -2.240 1.00 4.20 C ATOM 1861 CG ARG A 124 11.416 -3.703 -2.403 1.00 11.44 C ATOM 1862 CD ARG A 124 10.439 -3.818 -3.553 1.00 13.20 C ATOM 1863 NE ARG A 124 9.944 -5.192 -3.686 1.00 32.20 N ATOM 1864 CZ ARG A 124 9.190 -5.655 -4.703 1.00 2.32 C ATOM 1865 NH1 ARG A 124 8.925 -4.893 -5.765 1.00 2.24 N ATOM 1866 NH2 ARG A 124 8.745 -6.891 -4.675 1.00 64.12 N ATOM 0 H ARG A 124 14.007 -3.768 -2.050 1.00 33.02 H new ATOM 0 HA ARG A 124 13.326 -1.106 -1.126 1.00 60.51 H new ATOM 0 HB2 ARG A 124 11.125 -1.632 -2.002 1.00 4.20 H new ATOM 0 HB3 ARG A 124 12.366 -1.969 -3.193 1.00 4.20 H new ATOM 0 HG2 ARG A 124 12.246 -4.390 -2.566 1.00 11.44 H new ATOM 0 HG3 ARG A 124 10.924 -4.010 -1.480 1.00 11.44 H new ATOM 0 HD2 ARG A 124 9.601 -3.140 -3.392 1.00 13.20 H new ATOM 0 HD3 ARG A 124 10.924 -3.511 -4.479 1.00 13.20 H new ATOM 0 HE ARG A 124 10.191 -5.852 -2.948 1.00 32.20 H new ATOM 0 HH11 ARG A 124 9.295 -3.944 -5.817 1.00 2.24 H new ATOM 0 HH12 ARG A 124 8.353 -5.259 -6.526 1.00 2.24 H new ATOM 0 HH21 ARG A 124 8.970 -7.496 -3.886 1.00 64.12 H new ATOM 0 HH22 ARG A 124 8.174 -7.245 -5.443 1.00 64.12 H new ATOM 1880 N PRO A 125 12.142 -1.554 1.082 1.00 41.14 N ATOM 1881 CA PRO A 125 11.634 -1.797 2.443 1.00 33.25 C ATOM 1882 C PRO A 125 10.385 -2.709 2.497 1.00 24.04 C ATOM 1883 O PRO A 125 10.058 -3.255 3.549 1.00 44.01 O ATOM 1884 CB PRO A 125 11.341 -0.401 3.004 1.00 64.11 C ATOM 1885 CG PRO A 125 12.112 0.542 2.146 1.00 64.12 C ATOM 1886 CD PRO A 125 12.242 -0.103 0.795 1.00 71.43 C ATOM 0 HA PRO A 125 12.370 -2.345 3.032 1.00 33.25 H new ATOM 0 HB2 PRO A 125 10.274 -0.180 2.970 1.00 64.11 H new ATOM 0 HB3 PRO A 125 11.649 -0.324 4.047 1.00 64.11 H new ATOM 0 HG2 PRO A 125 11.599 1.501 2.068 1.00 64.12 H new ATOM 0 HG3 PRO A 125 13.094 0.740 2.575 1.00 64.12 H new ATOM 0 HD2 PRO A 125 11.454 0.226 0.118 1.00 71.43 H new ATOM 0 HD3 PRO A 125 13.192 0.146 0.323 1.00 71.43 H new ATOM 1894 N VAL A 126 9.707 -2.882 1.362 1.00 23.11 N ATOM 1895 CA VAL A 126 8.548 -3.783 1.282 1.00 3.34 C ATOM 1896 C VAL A 126 8.971 -5.211 1.646 1.00 12.45 C ATOM 1897 O VAL A 126 8.284 -5.915 2.380 1.00 13.11 O ATOM 1898 CB VAL A 126 7.926 -3.803 -0.144 1.00 41.43 C ATOM 1899 CG1 VAL A 126 6.783 -4.787 -0.220 1.00 4.41 C ATOM 1900 CG2 VAL A 126 7.431 -2.440 -0.540 1.00 62.04 C ATOM 0 H VAL A 126 9.936 -2.413 0.486 1.00 23.11 H new ATOM 0 HA VAL A 126 7.802 -3.411 1.984 1.00 3.34 H new ATOM 0 HB VAL A 126 8.712 -4.110 -0.834 1.00 41.43 H new ATOM 0 HG11 VAL A 126 6.365 -4.782 -1.227 1.00 4.41 H new ATOM 0 HG12 VAL A 126 7.147 -5.787 0.017 1.00 4.41 H new ATOM 0 HG13 VAL A 126 6.011 -4.503 0.495 1.00 4.41 H new ATOM 0 HG21 VAL A 126 7.002 -2.485 -1.541 1.00 62.04 H new ATOM 0 HG22 VAL A 126 6.670 -2.110 0.167 1.00 62.04 H new ATOM 0 HG23 VAL A 126 8.262 -1.735 -0.533 1.00 62.04 H new ATOM 1910 N ASP A 127 10.123 -5.607 1.179 1.00 5.23 N ATOM 1911 CA ASP A 127 10.630 -6.932 1.470 1.00 60.11 C ATOM 1912 C ASP A 127 11.032 -7.054 2.930 1.00 64.15 C ATOM 1913 O ASP A 127 10.911 -8.116 3.528 1.00 60.40 O ATOM 1914 CB ASP A 127 11.779 -7.326 0.536 1.00 12.33 C ATOM 1915 CG ASP A 127 11.308 -7.681 -0.859 1.00 41.11 C ATOM 1916 OD1 ASP A 127 11.183 -6.789 -1.726 1.00 1.44 O ATOM 1917 OD2 ASP A 127 11.067 -8.879 -1.122 1.00 31.04 O ATOM 0 H ASP A 127 10.733 -5.036 0.595 1.00 5.23 H new ATOM 0 HA ASP A 127 9.819 -7.637 1.286 1.00 60.11 H new ATOM 0 HB2 ASP A 127 12.490 -6.502 0.475 1.00 12.33 H new ATOM 0 HB3 ASP A 127 12.312 -8.176 0.962 1.00 12.33 H new ATOM 1922 N ALA A 128 11.461 -5.938 3.509 1.00 1.34 N ATOM 1923 CA ALA A 128 11.896 -5.888 4.899 1.00 31.41 C ATOM 1924 C ALA A 128 10.740 -6.156 5.852 1.00 34.02 C ATOM 1925 O ALA A 128 10.904 -6.848 6.853 1.00 61.31 O ATOM 1926 CB ALA A 128 12.533 -4.544 5.217 1.00 61.41 C ATOM 0 H ALA A 128 11.517 -5.041 3.026 1.00 1.34 H new ATOM 0 HA ALA A 128 12.640 -6.672 5.037 1.00 31.41 H new ATOM 0 HB1 ALA A 128 12.850 -4.529 6.260 1.00 61.41 H new ATOM 0 HB2 ALA A 128 13.398 -4.390 4.572 1.00 61.41 H new ATOM 0 HB3 ALA A 128 11.808 -3.748 5.047 1.00 61.41 H new ATOM 1932 N LEU A 129 9.567 -5.630 5.535 1.00 42.13 N ATOM 1933 CA LEU A 129 8.402 -5.819 6.392 1.00 63.35 C ATOM 1934 C LEU A 129 7.934 -7.271 6.383 1.00 31.41 C ATOM 1935 O LEU A 129 7.508 -7.798 7.410 1.00 14.32 O ATOM 1936 CB LEU A 129 7.281 -4.807 6.059 1.00 50.40 C ATOM 1937 CG LEU A 129 6.712 -4.837 4.643 1.00 10.11 C ATOM 1938 CD1 LEU A 129 5.628 -5.887 4.498 1.00 14.00 C ATOM 1939 CD2 LEU A 129 6.226 -3.467 4.206 1.00 74.24 C ATOM 0 H LEU A 129 9.395 -5.073 4.698 1.00 42.13 H new ATOM 0 HA LEU A 129 8.698 -5.606 7.419 1.00 63.35 H new ATOM 0 HB2 LEU A 129 6.460 -4.971 6.757 1.00 50.40 H new ATOM 0 HB3 LEU A 129 7.664 -3.804 6.248 1.00 50.40 H new ATOM 0 HG LEU A 129 7.526 -5.119 3.975 1.00 10.11 H new ATOM 0 HD11 LEU A 129 5.247 -5.878 3.477 1.00 14.00 H new ATOM 0 HD12 LEU A 129 6.041 -6.870 4.723 1.00 14.00 H new ATOM 0 HD13 LEU A 129 4.815 -5.668 5.190 1.00 14.00 H new ATOM 0 HD21 LEU A 129 5.828 -3.528 3.193 1.00 74.24 H new ATOM 0 HD22 LEU A 129 5.443 -3.125 4.883 1.00 74.24 H new ATOM 0 HD23 LEU A 129 7.057 -2.762 4.227 1.00 74.24 H new ATOM 1951 N HIS A 130 8.081 -7.935 5.241 1.00 62.23 N ATOM 1952 CA HIS A 130 7.708 -9.346 5.121 1.00 35.21 C ATOM 1953 C HIS A 130 8.765 -10.197 5.815 1.00 53.41 C ATOM 1954 O HIS A 130 8.496 -11.301 6.300 1.00 40.32 O ATOM 1955 CB HIS A 130 7.590 -9.763 3.644 1.00 23.22 C ATOM 1956 CG HIS A 130 7.012 -11.144 3.447 1.00 34.40 C ATOM 1957 ND1 HIS A 130 7.755 -12.287 3.198 1.00 1.13 N ATOM 1958 CD2 HIS A 130 5.722 -11.541 3.457 1.00 53.53 C ATOM 1959 CE1 HIS A 130 6.910 -13.305 3.066 1.00 44.23 C ATOM 1960 NE2 HIS A 130 5.660 -12.910 3.214 1.00 12.24 N ATOM 0 H HIS A 130 8.454 -7.523 4.386 1.00 62.23 H new ATOM 0 HA HIS A 130 6.736 -9.496 5.592 1.00 35.21 H new ATOM 0 HB2 HIS A 130 6.965 -9.039 3.120 1.00 23.22 H new ATOM 0 HB3 HIS A 130 8.578 -9.723 3.185 1.00 23.22 H new ATOM 0 HD1 HIS A 130 8.771 -12.338 3.128 1.00 1.13 H new ATOM 0 HD2 HIS A 130 4.872 -10.897 3.627 1.00 53.53 H new ATOM 0 HE1 HIS A 130 7.208 -14.323 2.864 1.00 44.23 H new ATOM 1968 N ALA A 131 9.953 -9.638 5.902 1.00 42.20 N ATOM 1969 CA ALA A 131 11.089 -10.306 6.528 1.00 52.21 C ATOM 1970 C ALA A 131 11.101 -10.075 8.044 1.00 40.34 C ATOM 1971 O ALA A 131 12.056 -10.448 8.729 1.00 42.21 O ATOM 1972 CB ALA A 131 12.394 -9.819 5.910 1.00 72.44 C ATOM 0 H ALA A 131 10.165 -8.707 5.543 1.00 42.20 H new ATOM 0 HA ALA A 131 10.990 -11.377 6.350 1.00 52.21 H new ATOM 0 HB1 ALA A 131 13.233 -10.325 6.386 1.00 72.44 H new ATOM 0 HB2 ALA A 131 12.396 -10.039 4.843 1.00 72.44 H new ATOM 0 HB3 ALA A 131 12.488 -8.743 6.058 1.00 72.44 H new ATOM 1978 N HIS A 132 10.021 -9.454 8.545 1.00 20.22 N ATOM 1979 CA HIS A 132 9.821 -9.146 9.975 1.00 51.41 C ATOM 1980 C HIS A 132 10.863 -8.153 10.485 1.00 10.22 C ATOM 1981 O HIS A 132 11.164 -8.082 11.678 1.00 24.43 O ATOM 1982 CB HIS A 132 9.788 -10.422 10.845 1.00 23.24 C ATOM 1983 CG HIS A 132 8.617 -11.323 10.566 1.00 51.04 C ATOM 1984 ND1 HIS A 132 8.710 -12.524 9.912 1.00 52.24 N ATOM 1985 CD2 HIS A 132 7.308 -11.173 10.877 1.00 42.42 C ATOM 1986 CE1 HIS A 132 7.495 -13.059 9.840 1.00 25.34 C ATOM 1987 NE2 HIS A 132 6.597 -12.276 10.414 1.00 33.32 N ATOM 0 H HIS A 132 9.246 -9.145 7.958 1.00 20.22 H new ATOM 0 HA HIS A 132 8.843 -8.674 10.063 1.00 51.41 H new ATOM 0 HB2 HIS A 132 10.710 -10.982 10.686 1.00 23.24 H new ATOM 0 HB3 HIS A 132 9.768 -10.132 11.896 1.00 23.24 H new ATOM 0 HD2 HIS A 132 6.883 -10.330 11.402 1.00 42.42 H new ATOM 0 HE1 HIS A 132 7.271 -14.007 9.374 1.00 25.34 H new ATOM 0 HE2 HIS A 132 5.595 -12.445 10.499 1.00 33.32 H new ATOM 1995 N GLN A 133 11.336 -7.334 9.580 1.00 2.44 N ATOM 1996 CA GLN A 133 12.277 -6.265 9.871 1.00 22.42 C ATOM 1997 C GLN A 133 11.544 -4.955 9.682 1.00 5.04 C ATOM 1998 O GLN A 133 12.131 -3.898 9.460 1.00 55.21 O ATOM 1999 CB GLN A 133 13.491 -6.344 8.956 1.00 74.14 C ATOM 2000 CG GLN A 133 14.245 -7.650 9.077 1.00 55.53 C ATOM 2001 CD GLN A 133 15.540 -7.645 8.317 1.00 71.22 C ATOM 2002 OE1 GLN A 133 16.181 -6.613 8.156 1.00 22.12 O ATOM 2003 NE2 GLN A 133 15.952 -8.787 7.857 1.00 55.14 N ATOM 0 H GLN A 133 11.076 -7.387 8.595 1.00 2.44 H new ATOM 0 HA GLN A 133 12.646 -6.352 10.893 1.00 22.42 H new ATOM 0 HB2 GLN A 133 13.168 -6.213 7.923 1.00 74.14 H new ATOM 0 HB3 GLN A 133 14.166 -5.520 9.187 1.00 74.14 H new ATOM 0 HG2 GLN A 133 14.447 -7.852 10.129 1.00 55.53 H new ATOM 0 HG3 GLN A 133 13.617 -8.462 8.711 1.00 55.53 H new ATOM 0 HE21 GLN A 133 15.395 -9.628 8.008 1.00 55.14 H new ATOM 0 HE22 GLN A 133 16.832 -8.843 7.345 1.00 55.14 H new ATOM 2012 N ALA A 134 10.230 -5.066 9.812 1.00 50.11 N ATOM 2013 CA ALA A 134 9.269 -3.997 9.622 1.00 63.32 C ATOM 2014 C ALA A 134 9.581 -2.761 10.448 1.00 25.50 C ATOM 2015 O ALA A 134 9.221 -1.674 10.058 1.00 35.00 O ATOM 2016 CB ALA A 134 7.876 -4.488 9.914 1.00 22.22 C ATOM 0 H ALA A 134 9.787 -5.949 10.065 1.00 50.11 H new ATOM 0 HA ALA A 134 9.338 -3.697 8.576 1.00 63.32 H new ATOM 0 HB1 ALA A 134 7.165 -3.675 9.767 1.00 22.22 H new ATOM 0 HB2 ALA A 134 7.631 -5.310 9.241 1.00 22.22 H new ATOM 0 HB3 ALA A 134 7.822 -4.836 10.946 1.00 22.22 H new ATOM 2022 N ARG A 135 10.244 -2.934 11.584 1.00 45.11 N ATOM 2023 CA ARG A 135 10.623 -1.831 12.455 1.00 2.22 C ATOM 2024 C ARG A 135 11.459 -0.801 11.666 1.00 61.04 C ATOM 2025 O ARG A 135 11.309 0.410 11.859 1.00 33.00 O ATOM 2026 CB ARG A 135 11.413 -2.401 13.647 1.00 30.05 C ATOM 2027 CG ARG A 135 11.599 -1.466 14.836 1.00 13.21 C ATOM 2028 CD ARG A 135 12.663 -0.401 14.625 1.00 44.43 C ATOM 2029 NE ARG A 135 12.614 0.628 15.669 1.00 40.24 N ATOM 2030 CZ ARG A 135 13.536 1.574 15.863 1.00 73.10 C ATOM 2031 NH1 ARG A 135 14.727 1.484 15.286 1.00 62.32 N ATOM 2032 NH2 ARG A 135 13.288 2.579 16.688 1.00 2.22 N ATOM 0 H ARG A 135 10.535 -3.849 11.928 1.00 45.11 H new ATOM 0 HA ARG A 135 9.737 -1.317 12.829 1.00 2.22 H new ATOM 0 HB2 ARG A 135 10.907 -3.302 13.995 1.00 30.05 H new ATOM 0 HB3 ARG A 135 12.398 -2.705 13.292 1.00 30.05 H new ATOM 0 HG2 ARG A 135 10.649 -0.978 15.053 1.00 13.21 H new ATOM 0 HG3 ARG A 135 11.861 -2.058 15.713 1.00 13.21 H new ATOM 0 HD2 ARG A 135 13.648 -0.867 14.619 1.00 44.43 H new ATOM 0 HD3 ARG A 135 12.524 0.064 13.649 1.00 44.43 H new ATOM 0 HE ARG A 135 11.811 0.620 16.298 1.00 40.24 H new ATOM 0 HH11 ARG A 135 14.945 0.687 14.688 1.00 62.32 H new ATOM 0 HH12 ARG A 135 15.425 2.212 15.440 1.00 62.32 H new ATOM 0 HH21 ARG A 135 12.393 2.630 17.175 1.00 2.22 H new ATOM 0 HH22 ARG A 135 13.992 3.302 16.837 1.00 2.22 H new ATOM 2046 N GLU A 136 12.288 -1.290 10.754 1.00 32.34 N ATOM 2047 CA GLU A 136 13.105 -0.432 9.894 1.00 42.24 C ATOM 2048 C GLU A 136 12.207 0.360 8.957 1.00 14.20 C ATOM 2049 O GLU A 136 12.424 1.544 8.711 1.00 62.15 O ATOM 2050 CB GLU A 136 14.079 -1.281 9.070 1.00 3.44 C ATOM 2051 CG GLU A 136 15.140 -1.993 9.886 1.00 25.13 C ATOM 2052 CD GLU A 136 16.077 -1.028 10.547 1.00 73.42 C ATOM 2053 OE1 GLU A 136 15.705 -0.430 11.556 1.00 53.44 O ATOM 2054 OE2 GLU A 136 17.210 -0.825 10.042 1.00 54.52 O ATOM 0 H GLU A 136 12.416 -2.288 10.587 1.00 32.34 H new ATOM 0 HA GLU A 136 13.674 0.254 10.522 1.00 42.24 H new ATOM 0 HB2 GLU A 136 13.510 -2.024 8.511 1.00 3.44 H new ATOM 0 HB3 GLU A 136 14.571 -0.640 8.339 1.00 3.44 H new ATOM 0 HG2 GLU A 136 14.660 -2.611 10.645 1.00 25.13 H new ATOM 0 HG3 GLU A 136 15.706 -2.664 9.240 1.00 25.13 H new ATOM 2061 N VAL A 137 11.176 -0.298 8.488 1.00 12.31 N ATOM 2062 CA VAL A 137 10.223 0.280 7.564 1.00 31.03 C ATOM 2063 C VAL A 137 9.398 1.338 8.278 1.00 50.03 C ATOM 2064 O VAL A 137 9.227 2.448 7.779 1.00 24.33 O ATOM 2065 CB VAL A 137 9.277 -0.808 7.004 1.00 70.22 C ATOM 2066 CG1 VAL A 137 8.318 -0.234 5.976 1.00 3.12 C ATOM 2067 CG2 VAL A 137 10.076 -1.956 6.421 1.00 61.32 C ATOM 0 H VAL A 137 10.969 -1.265 8.739 1.00 12.31 H new ATOM 0 HA VAL A 137 10.773 0.730 6.738 1.00 31.03 H new ATOM 0 HB VAL A 137 8.678 -1.190 7.830 1.00 70.22 H new ATOM 0 HG11 VAL A 137 7.668 -1.025 5.603 1.00 3.12 H new ATOM 0 HG12 VAL A 137 7.712 0.545 6.439 1.00 3.12 H new ATOM 0 HG13 VAL A 137 8.884 0.191 5.147 1.00 3.12 H new ATOM 0 HG21 VAL A 137 9.395 -2.713 6.032 1.00 61.32 H new ATOM 0 HG22 VAL A 137 10.708 -1.586 5.613 1.00 61.32 H new ATOM 0 HG23 VAL A 137 10.701 -2.396 7.198 1.00 61.32 H new ATOM 2077 N VAL A 138 8.923 0.987 9.462 1.00 64.52 N ATOM 2078 CA VAL A 138 8.122 1.876 10.278 1.00 11.55 C ATOM 2079 C VAL A 138 8.909 3.116 10.639 1.00 74.13 C ATOM 2080 O VAL A 138 8.418 4.224 10.467 1.00 32.13 O ATOM 2081 CB VAL A 138 7.600 1.185 11.574 1.00 23.04 C ATOM 2082 CG1 VAL A 138 6.787 2.158 12.425 1.00 23.00 C ATOM 2083 CG2 VAL A 138 6.750 -0.026 11.226 1.00 72.34 C ATOM 0 H VAL A 138 9.085 0.072 9.883 1.00 64.52 H new ATOM 0 HA VAL A 138 7.253 2.155 9.682 1.00 11.55 H new ATOM 0 HB VAL A 138 8.466 0.860 12.150 1.00 23.04 H new ATOM 0 HG11 VAL A 138 6.435 1.650 13.323 1.00 23.00 H new ATOM 0 HG12 VAL A 138 7.413 3.004 12.709 1.00 23.00 H new ATOM 0 HG13 VAL A 138 5.932 2.516 11.852 1.00 23.00 H new ATOM 0 HG21 VAL A 138 6.394 -0.496 12.143 1.00 72.34 H new ATOM 0 HG22 VAL A 138 5.897 0.289 10.625 1.00 72.34 H new ATOM 0 HG23 VAL A 138 7.349 -0.740 10.661 1.00 72.34 H new ATOM 2093 N ARG A 139 10.144 2.937 11.100 1.00 35.42 N ATOM 2094 CA ARG A 139 10.958 4.078 11.457 1.00 53.04 C ATOM 2095 C ARG A 139 11.242 4.947 10.237 1.00 54.34 C ATOM 2096 O ARG A 139 11.246 6.174 10.337 1.00 43.21 O ATOM 2097 CB ARG A 139 12.248 3.718 12.221 1.00 25.15 C ATOM 2098 CG ARG A 139 13.330 3.011 11.434 1.00 31.33 C ATOM 2099 CD ARG A 139 14.599 2.940 12.259 1.00 55.40 C ATOM 2100 NE ARG A 139 15.669 2.194 11.608 1.00 13.30 N ATOM 2101 CZ ARG A 139 16.857 2.687 11.242 1.00 64.41 C ATOM 2102 NH1 ARG A 139 17.091 4.004 11.287 1.00 22.34 N ATOM 2103 NH2 ARG A 139 17.792 1.854 10.801 1.00 44.42 N ATOM 0 H ARG A 139 10.590 2.029 11.231 1.00 35.42 H new ATOM 0 HA ARG A 139 10.367 4.659 12.165 1.00 53.04 H new ATOM 0 HB2 ARG A 139 12.669 4.637 12.629 1.00 25.15 H new ATOM 0 HB3 ARG A 139 11.977 3.088 13.068 1.00 25.15 H new ATOM 0 HG2 ARG A 139 13.002 2.006 11.167 1.00 31.33 H new ATOM 0 HG3 ARG A 139 13.520 3.542 10.501 1.00 31.33 H new ATOM 0 HD2 ARG A 139 14.946 3.952 12.467 1.00 55.40 H new ATOM 0 HD3 ARG A 139 14.374 2.476 13.219 1.00 55.40 H new ATOM 0 HE ARG A 139 15.496 1.208 11.414 1.00 13.30 H new ATOM 0 HH11 ARG A 139 16.360 4.641 11.603 1.00 22.34 H new ATOM 0 HH12 ARG A 139 18.000 4.370 11.006 1.00 22.34 H new ATOM 0 HH21 ARG A 139 17.599 0.854 10.745 1.00 44.42 H new ATOM 0 HH22 ARG A 139 18.703 2.214 10.518 1.00 44.42 H new ATOM 2117 N ARG A 140 11.460 4.313 9.084 1.00 63.11 N ATOM 2118 CA ARG A 140 11.704 5.043 7.852 1.00 32.34 C ATOM 2119 C ARG A 140 10.456 5.862 7.494 1.00 70.15 C ATOM 2120 O ARG A 140 10.557 7.023 7.110 1.00 15.14 O ATOM 2121 CB ARG A 140 12.061 4.087 6.703 1.00 24.42 C ATOM 2122 CG ARG A 140 12.654 4.775 5.477 1.00 32.54 C ATOM 2123 CD ARG A 140 13.991 5.405 5.828 1.00 32.52 C ATOM 2124 NE ARG A 140 14.638 6.057 4.694 1.00 71.25 N ATOM 2125 CZ ARG A 140 15.917 6.458 4.687 1.00 24.34 C ATOM 2126 NH1 ARG A 140 16.699 6.199 5.722 1.00 35.13 N ATOM 2127 NH2 ARG A 140 16.407 7.094 3.640 1.00 1.25 N ATOM 0 H ARG A 140 11.471 3.298 8.984 1.00 63.11 H new ATOM 0 HA ARG A 140 12.551 5.712 8.002 1.00 32.34 H new ATOM 0 HB2 ARG A 140 12.772 3.346 7.069 1.00 24.42 H new ATOM 0 HB3 ARG A 140 11.163 3.546 6.403 1.00 24.42 H new ATOM 0 HG2 ARG A 140 12.784 4.052 4.672 1.00 32.54 H new ATOM 0 HG3 ARG A 140 11.968 5.539 5.112 1.00 32.54 H new ATOM 0 HD2 ARG A 140 13.843 6.136 6.622 1.00 32.52 H new ATOM 0 HD3 ARG A 140 14.655 4.636 6.223 1.00 32.52 H new ATOM 0 HE ARG A 140 14.082 6.218 3.854 1.00 71.25 H new ATOM 0 HH11 ARG A 140 16.329 5.693 6.527 1.00 35.13 H new ATOM 0 HH12 ARG A 140 17.672 6.505 5.715 1.00 35.13 H new ATOM 0 HH21 ARG A 140 15.812 7.282 2.833 1.00 1.25 H new ATOM 0 HH22 ARG A 140 17.381 7.398 3.638 1.00 1.25 H new ATOM 2141 N ALA A 141 9.284 5.247 7.670 1.00 53.21 N ATOM 2142 CA ALA A 141 8.003 5.899 7.422 1.00 61.35 C ATOM 2143 C ALA A 141 7.842 7.104 8.343 1.00 30.11 C ATOM 2144 O ALA A 141 7.446 8.188 7.912 1.00 52.23 O ATOM 2145 CB ALA A 141 6.861 4.920 7.664 1.00 14.22 C ATOM 0 H ALA A 141 9.200 4.282 7.989 1.00 53.21 H new ATOM 0 HA ALA A 141 7.977 6.232 6.384 1.00 61.35 H new ATOM 0 HB1 ALA A 141 5.909 5.417 7.476 1.00 14.22 H new ATOM 0 HB2 ALA A 141 6.964 4.068 6.992 1.00 14.22 H new ATOM 0 HB3 ALA A 141 6.891 4.574 8.697 1.00 14.22 H new ATOM 2151 N GLN A 142 8.178 6.901 9.610 1.00 44.43 N ATOM 2152 CA GLN A 142 8.095 7.940 10.628 1.00 60.44 C ATOM 2153 C GLN A 142 9.046 9.085 10.330 1.00 4.45 C ATOM 2154 O GLN A 142 8.699 10.243 10.524 1.00 21.11 O ATOM 2155 CB GLN A 142 8.364 7.366 12.020 1.00 72.12 C ATOM 2156 CG GLN A 142 7.348 6.322 12.456 1.00 33.21 C ATOM 2157 CD GLN A 142 7.669 5.696 13.795 1.00 25.44 C ATOM 2158 OE1 GLN A 142 8.830 5.581 14.183 1.00 72.30 O ATOM 2159 NE2 GLN A 142 6.653 5.254 14.491 1.00 1.33 N ATOM 0 H GLN A 142 8.518 6.006 9.962 1.00 44.43 H new ATOM 0 HA GLN A 142 7.079 8.335 10.610 1.00 60.44 H new ATOM 0 HB2 GLN A 142 9.359 6.921 12.034 1.00 72.12 H new ATOM 0 HB3 GLN A 142 8.369 8.180 12.745 1.00 72.12 H new ATOM 0 HG2 GLN A 142 6.362 6.784 12.506 1.00 33.21 H new ATOM 0 HG3 GLN A 142 7.295 5.539 11.700 1.00 33.21 H new ATOM 0 HE21 GLN A 142 5.704 5.368 14.136 1.00 1.33 H new ATOM 0 HE22 GLN A 142 6.810 4.796 15.389 1.00 1.33 H new ATOM 2168 N ALA A 143 10.230 8.758 9.838 1.00 32.53 N ATOM 2169 CA ALA A 143 11.231 9.763 9.488 1.00 35.31 C ATOM 2170 C ALA A 143 10.801 10.532 8.244 1.00 15.25 C ATOM 2171 O ALA A 143 11.075 11.722 8.106 1.00 73.14 O ATOM 2172 CB ALA A 143 12.590 9.110 9.266 1.00 74.41 C ATOM 0 H ALA A 143 10.527 7.797 9.669 1.00 32.53 H new ATOM 0 HA ALA A 143 11.318 10.465 10.317 1.00 35.31 H new ATOM 0 HB1 ALA A 143 13.323 9.874 9.006 1.00 74.41 H new ATOM 0 HB2 ALA A 143 12.903 8.602 10.178 1.00 74.41 H new ATOM 0 HB3 ALA A 143 12.518 8.386 8.454 1.00 74.41 H new ATOM 2178 N MET A 144 10.111 9.836 7.360 1.00 72.11 N ATOM 2179 CA MET A 144 9.589 10.412 6.130 1.00 44.35 C ATOM 2180 C MET A 144 8.448 11.391 6.431 1.00 33.30 C ATOM 2181 O MET A 144 8.254 12.383 5.719 1.00 52.43 O ATOM 2182 CB MET A 144 9.094 9.281 5.202 1.00 23.31 C ATOM 2183 CG MET A 144 8.435 9.737 3.902 1.00 12.12 C ATOM 2184 SD MET A 144 9.547 10.644 2.809 1.00 62.34 S ATOM 2185 CE MET A 144 8.427 11.000 1.448 1.00 73.40 C ATOM 0 H MET A 144 9.894 8.846 7.474 1.00 72.11 H new ATOM 0 HA MET A 144 10.386 10.965 5.632 1.00 44.35 H new ATOM 0 HB2 MET A 144 9.941 8.641 4.954 1.00 23.31 H new ATOM 0 HB3 MET A 144 8.382 8.668 5.754 1.00 23.31 H new ATOM 0 HG2 MET A 144 8.051 8.864 3.373 1.00 12.12 H new ATOM 0 HG3 MET A 144 7.579 10.368 4.140 1.00 12.12 H new ATOM 0 HE1 MET A 144 8.999 11.350 0.588 1.00 73.40 H new ATOM 0 HE2 MET A 144 7.883 10.095 1.178 1.00 73.40 H new ATOM 0 HE3 MET A 144 7.719 11.771 1.751 1.00 73.40 H new ATOM 2195 N ALA A 145 7.702 11.122 7.474 1.00 14.34 N ATOM 2196 CA ALA A 145 6.568 11.955 7.808 1.00 61.15 C ATOM 2197 C ALA A 145 6.915 13.052 8.805 1.00 33.21 C ATOM 2198 O ALA A 145 6.768 14.236 8.501 1.00 43.23 O ATOM 2199 CB ALA A 145 5.404 11.118 8.299 1.00 24.14 C ATOM 0 H ALA A 145 7.857 10.336 8.106 1.00 14.34 H new ATOM 0 HA ALA A 145 6.268 12.457 6.888 1.00 61.15 H new ATOM 0 HB1 ALA A 145 4.565 11.769 8.543 1.00 24.14 H new ATOM 0 HB2 ALA A 145 5.105 10.418 7.519 1.00 24.14 H new ATOM 0 HB3 ALA A 145 5.704 10.564 9.188 1.00 24.14 H new ATOM 2205 N TYR A 146 7.393 12.681 9.967 1.00 33.12 N ATOM 2206 CA TYR A 146 7.667 13.649 11.006 1.00 70.22 C ATOM 2207 C TYR A 146 9.142 13.646 11.364 1.00 71.24 C ATOM 2208 O TYR A 146 9.924 14.282 10.641 1.00 37.55 O ATOM 2209 CB TYR A 146 6.787 13.390 12.247 1.00 4.40 C ATOM 2210 CG TYR A 146 5.297 13.608 12.010 1.00 63.15 C ATOM 2211 CD1 TYR A 146 4.726 14.862 12.187 1.00 50.43 C ATOM 2212 CD2 TYR A 146 4.467 12.564 11.608 1.00 64.01 C ATOM 2213 CE1 TYR A 146 3.376 15.073 11.973 1.00 0.34 C ATOM 2214 CE2 TYR A 146 3.115 12.766 11.390 1.00 74.20 C ATOM 2215 CZ TYR A 146 2.575 14.025 11.575 1.00 42.40 C ATOM 2216 OH TYR A 146 1.221 14.244 11.350 1.00 14.22 O ATOM 2217 OXT TYR A 146 9.534 13.021 12.374 1.00 37.55 O ATOM 0 H TYR A 146 7.601 11.715 10.220 1.00 33.12 H new ATOM 0 HA TYR A 146 7.417 14.640 10.626 1.00 70.22 H new ATOM 0 HB2 TYR A 146 6.944 12.365 12.583 1.00 4.40 H new ATOM 0 HB3 TYR A 146 7.115 14.044 13.055 1.00 4.40 H new ATOM 0 HD1 TYR A 146 5.348 15.688 12.498 1.00 50.43 H new ATOM 0 HD2 TYR A 146 4.886 11.579 11.464 1.00 64.01 H new ATOM 0 HE1 TYR A 146 2.951 16.055 12.117 1.00 0.34 H new ATOM 0 HE2 TYR A 146 2.486 11.945 11.077 1.00 74.20 H new ATOM 0 HH TYR A 146 0.702 13.508 11.736 1.00 14.22 H new