USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 THR OG1 : rot 180:sc= 0.984 USER MOD Set 1.2: A 121 SER OG : rot 70:sc= 1.16 USER MOD Set 2.1: A 73 ASN : amide:sc= -0.0374 K(o=-0.037,f=-3.2!) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.1) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.11) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.786 F(o=-2.5!,f=-0.79) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0834 K(o=-0.083,f=-0.61) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -1.4 (180deg=-2.67!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 86:sc= 1.03 USER MOD Single : A 96 THR OG1 : rot 1:sc= 0.817 USER MOD Single : A 99 MET CE :methyl 175:sc= -2.11 (180deg=-2.29) USER MOD Single : A 104 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.71) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=-0.16) USER MOD Single : A 133 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.9) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 144 MET CE :methyl -164:sc= -0.0784 (180deg=-0.391) USER MOD Single : A 146 TYR OH : rot 53:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.063 5.685 -3.655 1.00 74.51 N ATOM 240 CA ALA A 18 -6.104 4.963 -4.447 1.00 0.33 C ATOM 241 C ALA A 18 -5.729 5.864 -5.599 1.00 32.30 C ATOM 242 O ALA A 18 -6.615 6.337 -6.327 1.00 12.53 O ATOM 243 CB ALA A 18 -6.725 3.674 -4.969 1.00 71.41 C ATOM 0 HA ALA A 18 -5.227 4.695 -3.858 1.00 0.33 H new ATOM 0 HB1 ALA A 18 -5.992 3.133 -5.568 1.00 71.41 H new ATOM 0 HB2 ALA A 18 -7.036 3.053 -4.129 1.00 71.41 H new ATOM 0 HB3 ALA A 18 -7.592 3.911 -5.585 1.00 71.41 H new ATOM 249 N GLY A 19 -4.475 6.143 -5.754 1.00 55.24 N ATOM 250 CA GLY A 19 -4.061 7.036 -6.781 1.00 45.14 C ATOM 251 C GLY A 19 -3.205 6.400 -7.822 1.00 44.24 C ATOM 252 O GLY A 19 -3.624 5.447 -8.491 1.00 11.22 O ATOM 0 H GLY A 19 -3.721 5.764 -5.181 1.00 55.24 H new ATOM 0 HA2 GLY A 19 -4.944 7.459 -7.259 1.00 45.14 H new ATOM 0 HA3 GLY A 19 -3.514 7.864 -6.331 1.00 45.14 H new ATOM 256 N ASP A 20 -1.989 6.885 -7.938 1.00 3.12 N ATOM 257 CA ASP A 20 -1.130 6.473 -9.024 1.00 71.31 C ATOM 258 C ASP A 20 -0.315 5.264 -8.694 1.00 14.11 C ATOM 259 O ASP A 20 0.611 5.320 -7.898 1.00 4.13 O ATOM 260 CB ASP A 20 -0.256 7.613 -9.530 1.00 54.34 C ATOM 261 CG ASP A 20 0.658 7.187 -10.663 1.00 71.45 C ATOM 262 OD1 ASP A 20 0.169 6.595 -11.659 1.00 72.35 O ATOM 263 OD2 ASP A 20 1.884 7.436 -10.588 1.00 1.24 O ATOM 0 H ASP A 20 -1.575 7.562 -7.297 1.00 3.12 H new ATOM 0 HA ASP A 20 -1.797 6.187 -9.838 1.00 71.31 H new ATOM 0 HB2 ASP A 20 -0.892 8.431 -9.869 1.00 54.34 H new ATOM 0 HB3 ASP A 20 0.346 7.997 -8.707 1.00 54.34 H new ATOM 268 N ASP A 21 -0.718 4.182 -9.303 1.00 12.13 N ATOM 269 CA ASP A 21 -0.090 2.861 -9.222 1.00 42.01 C ATOM 270 C ASP A 21 1.435 2.912 -9.347 1.00 43.01 C ATOM 271 O ASP A 21 1.990 3.279 -10.402 1.00 14.44 O ATOM 272 CB ASP A 21 -0.683 1.986 -10.319 1.00 32.34 C ATOM 273 CG ASP A 21 0.064 0.704 -10.559 1.00 53.12 C ATOM 274 OD1 ASP A 21 0.002 -0.193 -9.720 1.00 33.41 O ATOM 275 OD2 ASP A 21 0.706 0.571 -11.635 1.00 32.04 O ATOM 0 H ASP A 21 -1.540 4.183 -9.908 1.00 12.13 H new ATOM 0 HA ASP A 21 -0.295 2.446 -8.235 1.00 42.01 H new ATOM 0 HB2 ASP A 21 -1.715 1.749 -10.060 1.00 32.34 H new ATOM 0 HB3 ASP A 21 -0.710 2.556 -11.248 1.00 32.34 H new ATOM 280 N VAL A 22 2.105 2.576 -8.265 1.00 2.42 N ATOM 281 CA VAL A 22 3.549 2.575 -8.231 1.00 14.02 C ATOM 282 C VAL A 22 4.120 1.187 -8.533 1.00 24.32 C ATOM 283 O VAL A 22 5.167 1.082 -9.195 1.00 70.44 O ATOM 284 CB VAL A 22 4.110 3.117 -6.872 1.00 51.24 C ATOM 285 CG1 VAL A 22 5.635 3.032 -6.815 1.00 22.33 C ATOM 286 CG2 VAL A 22 3.677 4.559 -6.661 1.00 4.02 C ATOM 0 H VAL A 22 1.665 2.297 -7.388 1.00 2.42 H new ATOM 0 HA VAL A 22 3.876 3.256 -9.017 1.00 14.02 H new ATOM 0 HB VAL A 22 3.703 2.490 -6.079 1.00 51.24 H new ATOM 0 HG11 VAL A 22 5.985 3.417 -5.857 1.00 22.33 H new ATOM 0 HG12 VAL A 22 5.946 1.993 -6.924 1.00 22.33 H new ATOM 0 HG13 VAL A 22 6.063 3.625 -7.623 1.00 22.33 H new ATOM 0 HG21 VAL A 22 4.074 4.923 -5.713 1.00 4.02 H new ATOM 0 HG22 VAL A 22 4.058 5.176 -7.475 1.00 4.02 H new ATOM 0 HG23 VAL A 22 2.588 4.613 -6.644 1.00 4.02 H new ATOM 296 N LEU A 23 3.430 0.122 -8.115 1.00 3.31 N ATOM 297 CA LEU A 23 3.984 -1.208 -8.307 1.00 25.40 C ATOM 298 C LEU A 23 4.093 -1.665 -9.758 1.00 62.34 C ATOM 299 O LEU A 23 3.227 -1.396 -10.607 1.00 52.31 O ATOM 300 CB LEU A 23 3.485 -2.321 -7.323 1.00 71.24 C ATOM 301 CG LEU A 23 1.979 -2.506 -7.030 1.00 13.22 C ATOM 302 CD1 LEU A 23 1.174 -2.681 -8.279 1.00 74.34 C ATOM 303 CD2 LEU A 23 1.785 -3.735 -6.177 1.00 23.43 C ATOM 0 H LEU A 23 2.519 0.156 -7.658 1.00 3.31 H new ATOM 0 HA LEU A 23 5.016 -1.052 -7.993 1.00 25.40 H new ATOM 0 HB2 LEU A 23 3.856 -3.273 -7.703 1.00 71.24 H new ATOM 0 HB3 LEU A 23 3.977 -2.146 -6.366 1.00 71.24 H new ATOM 0 HG LEU A 23 1.637 -1.605 -6.521 1.00 13.22 H new ATOM 0 HD11 LEU A 23 0.123 -2.807 -8.020 1.00 74.34 H new ATOM 0 HD12 LEU A 23 1.289 -1.801 -8.912 1.00 74.34 H new ATOM 0 HD13 LEU A 23 1.523 -3.563 -8.817 1.00 74.34 H new ATOM 0 HD21 LEU A 23 0.724 -3.869 -5.968 1.00 23.43 H new ATOM 0 HD22 LEU A 23 2.164 -4.609 -6.707 1.00 23.43 H new ATOM 0 HD23 LEU A 23 2.327 -3.616 -5.239 1.00 23.43 H new ATOM 315 N ASP A 24 5.193 -2.336 -10.008 1.00 33.40 N ATOM 316 CA ASP A 24 5.589 -2.841 -11.318 1.00 41.13 C ATOM 317 C ASP A 24 4.545 -3.832 -11.866 1.00 1.45 C ATOM 318 O ASP A 24 3.905 -4.539 -11.092 1.00 1.33 O ATOM 319 CB ASP A 24 6.960 -3.533 -11.164 1.00 15.44 C ATOM 320 CG ASP A 24 7.507 -4.104 -12.445 1.00 20.00 C ATOM 321 OD1 ASP A 24 7.155 -5.239 -12.803 1.00 2.11 O ATOM 322 OD2 ASP A 24 8.311 -3.424 -13.121 1.00 1.44 O ATOM 0 H ASP A 24 5.870 -2.558 -9.279 1.00 33.40 H new ATOM 0 HA ASP A 24 5.656 -2.017 -12.028 1.00 41.13 H new ATOM 0 HB2 ASP A 24 7.675 -2.814 -10.765 1.00 15.44 H new ATOM 0 HB3 ASP A 24 6.870 -4.334 -10.431 1.00 15.44 H new ATOM 327 N PRO A 25 4.335 -3.870 -13.208 1.00 40.43 N ATOM 328 CA PRO A 25 3.388 -4.797 -13.856 1.00 4.23 C ATOM 329 C PRO A 25 3.532 -6.283 -13.460 1.00 13.44 C ATOM 330 O PRO A 25 2.573 -7.046 -13.586 1.00 44.12 O ATOM 331 CB PRO A 25 3.678 -4.614 -15.343 1.00 70.03 C ATOM 332 CG PRO A 25 4.132 -3.208 -15.448 1.00 23.24 C ATOM 333 CD PRO A 25 4.936 -2.949 -14.204 1.00 35.32 C ATOM 0 HA PRO A 25 2.369 -4.562 -13.549 1.00 4.23 H new ATOM 0 HB2 PRO A 25 4.444 -5.308 -15.689 1.00 70.03 H new ATOM 0 HB3 PRO A 25 2.789 -4.793 -15.948 1.00 70.03 H new ATOM 0 HG2 PRO A 25 4.735 -3.057 -16.343 1.00 23.24 H new ATOM 0 HG3 PRO A 25 3.284 -2.526 -15.516 1.00 23.24 H new ATOM 0 HD2 PRO A 25 5.994 -3.159 -14.359 1.00 35.32 H new ATOM 0 HD3 PRO A 25 4.861 -1.909 -13.886 1.00 35.32 H new ATOM 341 N ASP A 26 4.693 -6.688 -12.977 1.00 31.40 N ATOM 342 CA ASP A 26 4.895 -8.081 -12.591 1.00 34.24 C ATOM 343 C ASP A 26 4.721 -8.314 -11.096 1.00 11.12 C ATOM 344 O ASP A 26 4.910 -9.434 -10.607 1.00 15.31 O ATOM 345 CB ASP A 26 6.235 -8.626 -13.085 1.00 21.11 C ATOM 346 CG ASP A 26 6.241 -8.892 -14.573 1.00 52.14 C ATOM 347 OD1 ASP A 26 5.862 -10.008 -14.994 1.00 24.32 O ATOM 348 OD2 ASP A 26 6.622 -7.989 -15.362 1.00 20.10 O ATOM 0 H ASP A 26 5.504 -6.084 -12.842 1.00 31.40 H new ATOM 0 HA ASP A 26 4.106 -8.644 -13.089 1.00 34.24 H new ATOM 0 HB2 ASP A 26 7.024 -7.914 -12.844 1.00 21.11 H new ATOM 0 HB3 ASP A 26 6.466 -9.549 -12.554 1.00 21.11 H new ATOM 353 N GLU A 27 4.349 -7.275 -10.374 1.00 12.51 N ATOM 354 CA GLU A 27 4.051 -7.405 -8.959 1.00 1.15 C ATOM 355 C GLU A 27 2.652 -7.976 -8.801 1.00 63.43 C ATOM 356 O GLU A 27 1.701 -7.467 -9.406 1.00 55.24 O ATOM 357 CB GLU A 27 4.153 -6.057 -8.244 1.00 44.15 C ATOM 358 CG GLU A 27 5.570 -5.562 -8.050 1.00 45.43 C ATOM 359 CD GLU A 27 6.334 -6.384 -7.040 1.00 23.32 C ATOM 360 OE1 GLU A 27 6.226 -6.099 -5.836 1.00 43.45 O ATOM 361 OE2 GLU A 27 7.098 -7.284 -7.431 1.00 60.35 O ATOM 0 H GLU A 27 4.246 -6.330 -10.743 1.00 12.51 H new ATOM 0 HA GLU A 27 4.781 -8.075 -8.505 1.00 1.15 H new ATOM 0 HB2 GLU A 27 3.595 -5.313 -8.814 1.00 44.15 H new ATOM 0 HB3 GLU A 27 3.672 -6.138 -7.269 1.00 44.15 H new ATOM 0 HG2 GLU A 27 6.094 -5.586 -9.005 1.00 45.43 H new ATOM 0 HG3 GLU A 27 5.547 -4.522 -7.725 1.00 45.43 H new ATOM 368 N PRO A 28 2.504 -9.046 -8.015 1.00 70.12 N ATOM 369 CA PRO A 28 1.218 -9.707 -7.823 1.00 54.33 C ATOM 370 C PRO A 28 0.219 -8.843 -7.038 1.00 65.44 C ATOM 371 O PRO A 28 0.596 -8.066 -6.130 1.00 53.12 O ATOM 372 CB PRO A 28 1.577 -10.971 -7.040 1.00 15.33 C ATOM 373 CG PRO A 28 2.852 -10.642 -6.342 1.00 4.02 C ATOM 374 CD PRO A 28 3.587 -9.704 -7.252 1.00 41.53 C ATOM 0 HA PRO A 28 0.721 -9.908 -8.772 1.00 54.33 H new ATOM 0 HB2 PRO A 28 0.793 -11.231 -6.329 1.00 15.33 H new ATOM 0 HB3 PRO A 28 1.700 -11.826 -7.705 1.00 15.33 H new ATOM 0 HG2 PRO A 28 2.660 -10.178 -5.375 1.00 4.02 H new ATOM 0 HG3 PRO A 28 3.437 -11.542 -6.153 1.00 4.02 H new ATOM 0 HD2 PRO A 28 4.179 -8.981 -6.691 1.00 41.53 H new ATOM 0 HD3 PRO A 28 4.274 -10.238 -7.909 1.00 41.53 H new ATOM 382 N THR A 29 -1.037 -8.985 -7.362 1.00 2.30 N ATOM 383 CA THR A 29 -2.078 -8.225 -6.737 1.00 75.42 C ATOM 384 C THR A 29 -3.259 -9.114 -6.326 1.00 54.45 C ATOM 385 O THR A 29 -3.276 -10.322 -6.580 1.00 60.10 O ATOM 386 CB THR A 29 -2.571 -7.089 -7.675 1.00 2.53 C ATOM 387 OG1 THR A 29 -2.784 -7.610 -8.996 1.00 40.02 O ATOM 388 CG2 THR A 29 -1.578 -5.929 -7.728 1.00 4.35 C ATOM 0 H THR A 29 -1.367 -9.637 -8.073 1.00 2.30 H new ATOM 0 HA THR A 29 -1.657 -7.782 -5.834 1.00 75.42 H new ATOM 0 HB THR A 29 -3.509 -6.706 -7.273 1.00 2.53 H new ATOM 0 HG1 THR A 29 -3.096 -6.891 -9.585 1.00 40.02 H new ATOM 0 HG21 THR A 29 -1.958 -5.155 -8.394 1.00 4.35 H new ATOM 0 HG22 THR A 29 -1.448 -5.515 -6.728 1.00 4.35 H new ATOM 0 HG23 THR A 29 -0.618 -6.288 -8.100 1.00 4.35 H new ATOM 396 N TYR A 30 -4.174 -8.514 -5.644 1.00 12.43 N ATOM 397 CA TYR A 30 -5.429 -9.071 -5.234 1.00 44.34 C ATOM 398 C TYR A 30 -6.478 -8.090 -5.624 1.00 41.01 C ATOM 399 O TYR A 30 -6.169 -6.925 -5.820 1.00 23.41 O ATOM 400 CB TYR A 30 -5.502 -9.329 -3.727 1.00 64.11 C ATOM 401 CG TYR A 30 -4.785 -10.564 -3.256 1.00 13.43 C ATOM 402 CD1 TYR A 30 -5.083 -11.799 -3.806 1.00 51.34 C ATOM 403 CD2 TYR A 30 -3.829 -10.504 -2.264 1.00 25.21 C ATOM 404 CE1 TYR A 30 -4.449 -12.940 -3.384 1.00 2.01 C ATOM 405 CE2 TYR A 30 -3.189 -11.643 -1.828 1.00 1.20 C ATOM 406 CZ TYR A 30 -3.500 -12.859 -2.392 1.00 12.41 C ATOM 407 OH TYR A 30 -2.863 -14.001 -1.958 1.00 4.03 O ATOM 0 H TYR A 30 -4.061 -7.549 -5.333 1.00 12.43 H new ATOM 0 HA TYR A 30 -5.565 -10.040 -5.715 1.00 44.34 H new ATOM 0 HB2 TYR A 30 -5.088 -8.466 -3.206 1.00 64.11 H new ATOM 0 HB3 TYR A 30 -6.550 -9.403 -3.437 1.00 64.11 H new ATOM 0 HD1 TYR A 30 -5.830 -11.866 -4.583 1.00 51.34 H new ATOM 0 HD2 TYR A 30 -3.579 -9.551 -1.823 1.00 25.21 H new ATOM 0 HE1 TYR A 30 -4.693 -13.894 -3.827 1.00 2.01 H new ATOM 0 HE2 TYR A 30 -2.446 -11.582 -1.047 1.00 1.20 H new ATOM 0 HH TYR A 30 -2.221 -13.770 -1.254 1.00 4.03 H new ATOM 417 N ASP A 31 -7.681 -8.516 -5.700 1.00 41.20 N ATOM 418 CA ASP A 31 -8.761 -7.665 -6.139 1.00 5.24 C ATOM 419 C ASP A 31 -9.865 -7.906 -5.151 1.00 21.10 C ATOM 420 O ASP A 31 -9.776 -8.877 -4.390 1.00 61.33 O ATOM 421 CB ASP A 31 -9.212 -8.100 -7.550 1.00 14.44 C ATOM 422 CG ASP A 31 -10.086 -7.087 -8.284 1.00 33.31 C ATOM 423 OD1 ASP A 31 -11.102 -6.635 -7.746 1.00 53.00 O ATOM 424 OD2 ASP A 31 -9.760 -6.739 -9.435 1.00 73.53 O ATOM 0 H ASP A 31 -7.964 -9.467 -5.462 1.00 41.20 H new ATOM 0 HA ASP A 31 -8.476 -6.614 -6.188 1.00 5.24 H new ATOM 0 HB2 ASP A 31 -8.327 -8.299 -8.154 1.00 14.44 H new ATOM 0 HB3 ASP A 31 -9.760 -9.039 -7.468 1.00 14.44 H new ATOM 429 N LEU A 32 -10.878 -7.076 -5.162 1.00 72.52 N ATOM 430 CA LEU A 32 -11.950 -7.086 -4.167 1.00 61.45 C ATOM 431 C LEU A 32 -12.554 -8.495 -3.942 1.00 0.11 C ATOM 432 O LEU A 32 -12.509 -9.001 -2.807 1.00 63.40 O ATOM 433 CB LEU A 32 -13.034 -6.041 -4.513 1.00 0.44 C ATOM 434 CG LEU A 32 -12.575 -4.577 -4.592 1.00 11.53 C ATOM 435 CD1 LEU A 32 -13.732 -3.679 -5.004 1.00 42.35 C ATOM 436 CD2 LEU A 32 -11.991 -4.114 -3.258 1.00 52.51 C ATOM 0 H LEU A 32 -10.994 -6.354 -5.874 1.00 72.52 H new ATOM 0 HA LEU A 32 -11.500 -6.802 -3.215 1.00 61.45 H new ATOM 0 HB2 LEU A 32 -13.475 -6.312 -5.472 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -13.825 -6.111 -3.767 1.00 0.44 H new ATOM 0 HG LEU A 32 -11.792 -4.508 -5.348 1.00 11.53 H new ATOM 0 HD11 LEU A 32 -13.390 -2.645 -5.055 1.00 42.35 H new ATOM 0 HD12 LEU A 32 -14.102 -3.988 -5.982 1.00 42.35 H new ATOM 0 HD13 LEU A 32 -14.534 -3.760 -4.271 1.00 42.35 H new ATOM 0 HD21 LEU A 32 -11.674 -3.075 -3.341 1.00 52.51 H new ATOM 0 HD22 LEU A 32 -12.749 -4.201 -2.479 1.00 52.51 H new ATOM 0 HD23 LEU A 32 -11.133 -4.736 -3.001 1.00 52.51 H new ATOM 448 N PRO A 33 -13.080 -9.187 -5.001 1.00 50.13 N ATOM 449 CA PRO A 33 -13.623 -10.528 -4.830 1.00 14.24 C ATOM 450 C PRO A 33 -12.540 -11.546 -4.442 1.00 32.44 C ATOM 451 O PRO A 33 -12.808 -12.490 -3.701 1.00 71.12 O ATOM 452 CB PRO A 33 -14.225 -10.867 -6.199 1.00 41.21 C ATOM 453 CG PRO A 33 -13.511 -9.986 -7.160 1.00 60.12 C ATOM 454 CD PRO A 33 -13.224 -8.723 -6.413 1.00 33.51 C ATOM 0 HA PRO A 33 -14.354 -10.567 -4.022 1.00 14.24 H new ATOM 0 HB2 PRO A 33 -14.080 -11.919 -6.445 1.00 41.21 H new ATOM 0 HB3 PRO A 33 -15.299 -10.681 -6.215 1.00 41.21 H new ATOM 0 HG2 PRO A 33 -12.590 -10.453 -7.509 1.00 60.12 H new ATOM 0 HG3 PRO A 33 -14.123 -9.790 -8.041 1.00 60.12 H new ATOM 0 HD2 PRO A 33 -12.316 -8.240 -6.773 1.00 33.51 H new ATOM 0 HD3 PRO A 33 -14.033 -8.000 -6.519 1.00 33.51 H new ATOM 462 N ARG A 34 -11.309 -11.345 -4.925 1.00 74.25 N ATOM 463 CA ARG A 34 -10.243 -12.243 -4.621 1.00 21.35 C ATOM 464 C ARG A 34 -9.803 -12.145 -3.153 1.00 14.00 C ATOM 465 O ARG A 34 -9.494 -13.157 -2.547 1.00 52.21 O ATOM 466 CB ARG A 34 -9.059 -12.070 -5.579 1.00 61.01 C ATOM 467 CG ARG A 34 -8.044 -13.194 -5.478 1.00 41.51 C ATOM 468 CD ARG A 34 -8.760 -14.522 -5.633 1.00 4.14 C ATOM 469 NE ARG A 34 -7.870 -15.684 -5.634 1.00 41.52 N ATOM 470 CZ ARG A 34 -8.177 -16.876 -5.086 1.00 52.21 C ATOM 471 NH1 ARG A 34 -9.380 -17.070 -4.560 1.00 72.22 N ATOM 472 NH2 ARG A 34 -7.297 -17.860 -5.093 1.00 2.15 N ATOM 0 H ARG A 34 -11.049 -10.563 -5.526 1.00 74.25 H new ATOM 0 HA ARG A 34 -10.633 -13.250 -4.768 1.00 21.35 H new ATOM 0 HB2 ARG A 34 -9.432 -12.015 -6.602 1.00 61.01 H new ATOM 0 HB3 ARG A 34 -8.565 -11.122 -5.369 1.00 61.01 H new ATOM 0 HG2 ARG A 34 -7.283 -13.084 -6.251 1.00 41.51 H new ATOM 0 HG3 ARG A 34 -7.531 -13.153 -4.517 1.00 41.51 H new ATOM 0 HD2 ARG A 34 -9.481 -14.631 -4.823 1.00 4.14 H new ATOM 0 HD3 ARG A 34 -9.326 -14.511 -6.564 1.00 4.14 H new ATOM 0 HE ARG A 34 -6.957 -15.585 -6.079 1.00 41.52 H new ATOM 0 HH11 ARG A 34 -10.069 -16.318 -4.571 1.00 72.22 H new ATOM 0 HH12 ARG A 34 -9.616 -17.971 -4.144 1.00 72.22 H new ATOM 0 HH21 ARG A 34 -6.379 -17.720 -5.515 1.00 2.15 H new ATOM 0 HH22 ARG A 34 -7.535 -18.760 -4.677 1.00 2.15 H new ATOM 486 N VAL A 35 -9.789 -10.938 -2.588 1.00 74.13 N ATOM 487 CA VAL A 35 -9.425 -10.771 -1.171 1.00 0.10 C ATOM 488 C VAL A 35 -10.500 -11.411 -0.313 1.00 55.23 C ATOM 489 O VAL A 35 -10.212 -12.082 0.691 1.00 35.53 O ATOM 490 CB VAL A 35 -9.254 -9.274 -0.756 1.00 23.30 C ATOM 491 CG1 VAL A 35 -8.859 -9.153 0.715 1.00 32.23 C ATOM 492 CG2 VAL A 35 -8.218 -8.584 -1.615 1.00 43.50 C ATOM 0 H VAL A 35 -10.020 -10.072 -3.075 1.00 74.13 H new ATOM 0 HA VAL A 35 -8.459 -11.253 -1.021 1.00 0.10 H new ATOM 0 HB VAL A 35 -10.217 -8.786 -0.905 1.00 23.30 H new ATOM 0 HG11 VAL A 35 -8.747 -8.101 0.976 1.00 32.23 H new ATOM 0 HG12 VAL A 35 -9.633 -9.601 1.338 1.00 32.23 H new ATOM 0 HG13 VAL A 35 -7.915 -9.671 0.882 1.00 32.23 H new ATOM 0 HG21 VAL A 35 -8.121 -7.544 -1.303 1.00 43.50 H new ATOM 0 HG22 VAL A 35 -7.258 -9.088 -1.503 1.00 43.50 H new ATOM 0 HG23 VAL A 35 -8.528 -8.622 -2.659 1.00 43.50 H new ATOM 502 N ALA A 36 -11.734 -11.231 -0.750 1.00 64.21 N ATOM 503 CA ALA A 36 -12.881 -11.821 -0.109 1.00 70.03 C ATOM 504 C ALA A 36 -12.754 -13.349 -0.108 1.00 52.50 C ATOM 505 O ALA A 36 -12.898 -13.998 0.924 1.00 51.50 O ATOM 506 CB ALA A 36 -14.148 -11.387 -0.835 1.00 44.23 C ATOM 0 H ALA A 36 -11.963 -10.665 -1.567 1.00 64.21 H new ATOM 0 HA ALA A 36 -12.934 -11.482 0.925 1.00 70.03 H new ATOM 0 HB1 ALA A 36 -15.016 -11.833 -0.350 1.00 44.23 H new ATOM 0 HB2 ALA A 36 -14.232 -10.301 -0.802 1.00 44.23 H new ATOM 0 HB3 ALA A 36 -14.103 -11.716 -1.873 1.00 44.23 H new ATOM 512 N GLU A 37 -12.423 -13.888 -1.264 1.00 11.43 N ATOM 513 CA GLU A 37 -12.250 -15.317 -1.474 1.00 72.15 C ATOM 514 C GLU A 37 -11.083 -15.835 -0.609 1.00 33.35 C ATOM 515 O GLU A 37 -11.177 -16.884 0.028 1.00 43.01 O ATOM 516 CB GLU A 37 -11.910 -15.529 -2.948 1.00 65.34 C ATOM 517 CG GLU A 37 -12.579 -16.717 -3.627 1.00 13.03 C ATOM 518 CD GLU A 37 -12.294 -18.042 -2.983 1.00 2.24 C ATOM 519 OE1 GLU A 37 -11.137 -18.512 -3.040 1.00 33.12 O ATOM 520 OE2 GLU A 37 -13.225 -18.645 -2.429 1.00 62.42 O ATOM 0 H GLU A 37 -12.262 -13.334 -2.105 1.00 11.43 H new ATOM 0 HA GLU A 37 -13.159 -15.853 -1.200 1.00 72.15 H new ATOM 0 HB2 GLU A 37 -12.179 -14.625 -3.495 1.00 65.34 H new ATOM 0 HB3 GLU A 37 -10.830 -15.647 -3.037 1.00 65.34 H new ATOM 0 HG2 GLU A 37 -13.657 -16.555 -3.635 1.00 13.03 H new ATOM 0 HG3 GLU A 37 -12.255 -16.755 -4.667 1.00 13.03 H new ATOM 527 N LEU A 38 -10.005 -15.067 -0.591 1.00 65.12 N ATOM 528 CA LEU A 38 -8.781 -15.409 0.120 1.00 71.15 C ATOM 529 C LEU A 38 -9.023 -15.523 1.621 1.00 44.42 C ATOM 530 O LEU A 38 -8.660 -16.518 2.243 1.00 54.13 O ATOM 531 CB LEU A 38 -7.718 -14.330 -0.139 1.00 21.43 C ATOM 532 CG LEU A 38 -6.341 -14.561 0.480 1.00 33.42 C ATOM 533 CD1 LEU A 38 -5.610 -15.702 -0.214 1.00 52.41 C ATOM 534 CD2 LEU A 38 -5.518 -13.286 0.445 1.00 73.52 C ATOM 0 H LEU A 38 -9.954 -14.172 -1.078 1.00 65.12 H new ATOM 0 HA LEU A 38 -8.436 -16.376 -0.247 1.00 71.15 H new ATOM 0 HB2 LEU A 38 -7.593 -14.227 -1.217 1.00 21.43 H new ATOM 0 HB3 LEU A 38 -8.102 -13.379 0.230 1.00 21.43 H new ATOM 0 HG LEU A 38 -6.483 -14.846 1.522 1.00 33.42 H new ATOM 0 HD11 LEU A 38 -4.633 -15.843 0.248 1.00 52.41 H new ATOM 0 HD12 LEU A 38 -6.192 -16.619 -0.118 1.00 52.41 H new ATOM 0 HD13 LEU A 38 -5.481 -15.463 -1.270 1.00 52.41 H new ATOM 0 HD21 LEU A 38 -4.541 -13.471 0.891 1.00 73.52 H new ATOM 0 HD22 LEU A 38 -5.390 -12.964 -0.588 1.00 73.52 H new ATOM 0 HD23 LEU A 38 -6.031 -12.506 1.008 1.00 73.52 H new ATOM 546 N LEU A 39 -9.658 -14.517 2.187 1.00 35.44 N ATOM 547 CA LEU A 39 -9.879 -14.468 3.626 1.00 1.11 C ATOM 548 C LEU A 39 -11.143 -15.190 4.058 1.00 23.41 C ATOM 549 O LEU A 39 -11.291 -15.543 5.234 1.00 2.05 O ATOM 550 CB LEU A 39 -9.899 -13.021 4.119 1.00 73.14 C ATOM 551 CG LEU A 39 -8.578 -12.249 4.030 1.00 42.43 C ATOM 552 CD1 LEU A 39 -8.780 -10.805 4.455 1.00 24.21 C ATOM 553 CD2 LEU A 39 -7.519 -12.905 4.906 1.00 31.24 C ATOM 0 H LEU A 39 -10.033 -13.718 1.675 1.00 35.44 H new ATOM 0 HA LEU A 39 -9.043 -14.995 4.085 1.00 1.11 H new ATOM 0 HB2 LEU A 39 -10.651 -12.477 3.548 1.00 73.14 H new ATOM 0 HB3 LEU A 39 -10.225 -13.020 5.159 1.00 73.14 H new ATOM 0 HG LEU A 39 -8.238 -12.268 2.994 1.00 42.43 H new ATOM 0 HD11 LEU A 39 -7.833 -10.270 4.386 1.00 24.21 H new ATOM 0 HD12 LEU A 39 -9.512 -10.332 3.801 1.00 24.21 H new ATOM 0 HD13 LEU A 39 -9.140 -10.775 5.483 1.00 24.21 H new ATOM 0 HD21 LEU A 39 -6.587 -12.345 4.832 1.00 31.24 H new ATOM 0 HD22 LEU A 39 -7.857 -12.911 5.942 1.00 31.24 H new ATOM 0 HD23 LEU A 39 -7.354 -13.929 4.572 1.00 31.24 H new ATOM 565 N GLY A 40 -12.036 -15.421 3.134 1.00 51.50 N ATOM 566 CA GLY A 40 -13.280 -16.076 3.466 1.00 25.33 C ATOM 567 C GLY A 40 -14.249 -15.107 4.092 1.00 12.42 C ATOM 568 O GLY A 40 -15.101 -15.484 4.902 1.00 63.24 O ATOM 0 H GLY A 40 -11.931 -15.169 2.151 1.00 51.50 H new ATOM 0 HA2 GLY A 40 -13.720 -16.506 2.566 1.00 25.33 H new ATOM 0 HA3 GLY A 40 -13.089 -16.900 4.153 1.00 25.33 H new ATOM 572 N VAL A 41 -14.100 -13.857 3.728 1.00 24.31 N ATOM 573 CA VAL A 41 -14.934 -12.782 4.229 1.00 30.11 C ATOM 574 C VAL A 41 -15.570 -12.098 3.032 1.00 61.35 C ATOM 575 O VAL A 41 -15.119 -12.307 1.924 1.00 3.11 O ATOM 576 CB VAL A 41 -14.112 -11.734 5.065 1.00 24.55 C ATOM 577 CG1 VAL A 41 -13.418 -12.389 6.249 1.00 44.41 C ATOM 578 CG2 VAL A 41 -13.104 -10.978 4.197 1.00 14.12 C ATOM 0 H VAL A 41 -13.387 -13.549 3.066 1.00 24.31 H new ATOM 0 HA VAL A 41 -15.688 -13.199 4.897 1.00 30.11 H new ATOM 0 HB VAL A 41 -14.826 -11.007 5.451 1.00 24.55 H new ATOM 0 HG11 VAL A 41 -12.859 -11.636 6.805 1.00 44.41 H new ATOM 0 HG12 VAL A 41 -14.163 -12.843 6.902 1.00 44.41 H new ATOM 0 HG13 VAL A 41 -12.733 -13.158 5.890 1.00 44.41 H new ATOM 0 HG21 VAL A 41 -12.557 -10.264 4.813 1.00 14.12 H new ATOM 0 HG22 VAL A 41 -12.404 -11.685 3.753 1.00 14.12 H new ATOM 0 HG23 VAL A 41 -13.632 -10.445 3.406 1.00 14.12 H new ATOM 588 N PRO A 42 -16.648 -11.341 3.196 1.00 32.34 N ATOM 589 CA PRO A 42 -17.230 -10.602 2.082 1.00 64.34 C ATOM 590 C PRO A 42 -16.409 -9.347 1.752 1.00 21.42 C ATOM 591 O PRO A 42 -15.599 -8.871 2.586 1.00 23.22 O ATOM 592 CB PRO A 42 -18.619 -10.219 2.596 1.00 14.13 C ATOM 593 CG PRO A 42 -18.477 -10.163 4.075 1.00 33.45 C ATOM 594 CD PRO A 42 -17.433 -11.183 4.441 1.00 21.21 C ATOM 0 HA PRO A 42 -17.257 -11.185 1.162 1.00 64.34 H new ATOM 0 HB2 PRO A 42 -18.938 -9.258 2.193 1.00 14.13 H new ATOM 0 HB3 PRO A 42 -19.367 -10.954 2.298 1.00 14.13 H new ATOM 0 HG2 PRO A 42 -18.177 -9.167 4.399 1.00 33.45 H new ATOM 0 HG3 PRO A 42 -19.425 -10.385 4.565 1.00 33.45 H new ATOM 0 HD2 PRO A 42 -16.810 -10.840 5.267 1.00 21.21 H new ATOM 0 HD3 PRO A 42 -17.885 -12.125 4.752 1.00 21.21 H new ATOM 602 N VAL A 43 -16.637 -8.798 0.565 1.00 4.43 N ATOM 603 CA VAL A 43 -15.958 -7.582 0.090 1.00 74.23 C ATOM 604 C VAL A 43 -16.236 -6.441 1.054 1.00 34.52 C ATOM 605 O VAL A 43 -15.393 -5.571 1.286 1.00 52.40 O ATOM 606 CB VAL A 43 -16.424 -7.181 -1.336 1.00 12.12 C ATOM 607 CG1 VAL A 43 -15.658 -5.969 -1.848 1.00 51.45 C ATOM 608 CG2 VAL A 43 -16.280 -8.348 -2.291 1.00 41.14 C ATOM 0 H VAL A 43 -17.302 -9.182 -0.106 1.00 4.43 H new ATOM 0 HA VAL A 43 -14.889 -7.789 0.046 1.00 74.23 H new ATOM 0 HB VAL A 43 -17.478 -6.908 -1.279 1.00 12.12 H new ATOM 0 HG11 VAL A 43 -16.008 -5.714 -2.848 1.00 51.45 H new ATOM 0 HG12 VAL A 43 -15.824 -5.125 -1.179 1.00 51.45 H new ATOM 0 HG13 VAL A 43 -14.593 -6.200 -1.884 1.00 51.45 H new ATOM 0 HG21 VAL A 43 -16.611 -8.048 -3.285 1.00 41.14 H new ATOM 0 HG22 VAL A 43 -15.235 -8.656 -2.334 1.00 41.14 H new ATOM 0 HG23 VAL A 43 -16.890 -9.181 -1.942 1.00 41.14 H new ATOM 618 N SER A 44 -17.414 -6.484 1.630 1.00 63.05 N ATOM 619 CA SER A 44 -17.856 -5.531 2.597 1.00 0.34 C ATOM 620 C SER A 44 -16.871 -5.467 3.788 1.00 0.30 C ATOM 621 O SER A 44 -16.474 -4.379 4.199 1.00 41.51 O ATOM 622 CB SER A 44 -19.231 -5.963 3.043 1.00 54.11 C ATOM 623 OG SER A 44 -20.033 -6.234 1.905 1.00 74.11 O ATOM 0 H SER A 44 -18.104 -7.207 1.427 1.00 63.05 H new ATOM 0 HA SER A 44 -17.894 -4.529 2.170 1.00 0.34 H new ATOM 0 HB2 SER A 44 -19.159 -6.851 3.671 1.00 54.11 H new ATOM 0 HB3 SER A 44 -19.691 -5.182 3.648 1.00 54.11 H new ATOM 0 HG SER A 44 -20.926 -6.516 2.194 1.00 74.11 H new ATOM 629 N LYS A 45 -16.413 -6.635 4.282 1.00 65.22 N ATOM 630 CA LYS A 45 -15.433 -6.653 5.365 1.00 43.41 C ATOM 631 C LYS A 45 -14.091 -6.145 4.897 1.00 14.13 C ATOM 632 O LYS A 45 -13.366 -5.512 5.654 1.00 74.30 O ATOM 633 CB LYS A 45 -15.282 -8.013 6.058 1.00 3.01 C ATOM 634 CG LYS A 45 -16.369 -8.321 7.075 1.00 24.13 C ATOM 635 CD LYS A 45 -15.968 -9.495 7.959 1.00 25.31 C ATOM 636 CE LYS A 45 -16.908 -9.672 9.157 1.00 43.01 C ATOM 637 NZ LYS A 45 -18.282 -10.051 8.771 1.00 45.15 N ATOM 0 H LYS A 45 -16.704 -7.555 3.951 1.00 65.22 H new ATOM 0 HA LYS A 45 -15.832 -5.976 6.120 1.00 43.41 H new ATOM 0 HB2 LYS A 45 -15.278 -8.796 5.299 1.00 3.01 H new ATOM 0 HB3 LYS A 45 -14.314 -8.048 6.557 1.00 3.01 H new ATOM 0 HG2 LYS A 45 -16.555 -7.442 7.692 1.00 24.13 H new ATOM 0 HG3 LYS A 45 -17.301 -8.551 6.559 1.00 24.13 H new ATOM 0 HD2 LYS A 45 -15.965 -10.409 7.365 1.00 25.31 H new ATOM 0 HD3 LYS A 45 -14.950 -9.345 8.318 1.00 25.31 H new ATOM 0 HE2 LYS A 45 -16.501 -10.436 9.820 1.00 43.01 H new ATOM 0 HE3 LYS A 45 -16.941 -8.742 9.724 1.00 43.01 H new ATOM 0 HZ1 LYS A 45 -18.866 -10.155 9.625 1.00 45.15 H new ATOM 0 HZ2 LYS A 45 -18.688 -9.312 8.162 1.00 45.15 H new ATOM 0 HZ3 LYS A 45 -18.261 -10.953 8.254 1.00 45.15 H new ATOM 651 N VAL A 46 -13.772 -6.403 3.642 1.00 53.23 N ATOM 652 CA VAL A 46 -12.532 -5.910 3.052 1.00 23.53 C ATOM 653 C VAL A 46 -12.537 -4.383 3.059 1.00 50.14 C ATOM 654 O VAL A 46 -11.571 -3.746 3.487 1.00 21.04 O ATOM 655 CB VAL A 46 -12.326 -6.434 1.605 1.00 42.42 C ATOM 656 CG1 VAL A 46 -11.026 -5.910 1.011 1.00 41.55 C ATOM 657 CG2 VAL A 46 -12.355 -7.958 1.572 1.00 52.11 C ATOM 0 H VAL A 46 -14.352 -6.951 3.007 1.00 53.23 H new ATOM 0 HA VAL A 46 -11.703 -6.283 3.654 1.00 23.53 H new ATOM 0 HB VAL A 46 -13.149 -6.061 0.995 1.00 42.42 H new ATOM 0 HG11 VAL A 46 -10.909 -6.293 -0.003 1.00 41.55 H new ATOM 0 HG12 VAL A 46 -11.050 -4.821 0.986 1.00 41.55 H new ATOM 0 HG13 VAL A 46 -10.187 -6.240 1.623 1.00 41.55 H new ATOM 0 HG21 VAL A 46 -12.209 -8.303 0.548 1.00 52.11 H new ATOM 0 HG22 VAL A 46 -11.559 -8.351 2.204 1.00 52.11 H new ATOM 0 HG23 VAL A 46 -13.318 -8.312 1.940 1.00 52.11 H new ATOM 667 N ALA A 47 -13.650 -3.820 2.641 1.00 51.42 N ATOM 668 CA ALA A 47 -13.846 -2.385 2.625 1.00 11.44 C ATOM 669 C ALA A 47 -13.772 -1.810 4.046 1.00 15.02 C ATOM 670 O ALA A 47 -13.243 -0.720 4.257 1.00 12.34 O ATOM 671 CB ALA A 47 -15.164 -2.046 1.965 1.00 33.02 C ATOM 0 H ALA A 47 -14.452 -4.350 2.299 1.00 51.42 H new ATOM 0 HA ALA A 47 -13.046 -1.929 2.042 1.00 11.44 H new ATOM 0 HB1 ALA A 47 -15.300 -0.965 1.959 1.00 33.02 H new ATOM 0 HB2 ALA A 47 -15.164 -2.418 0.940 1.00 33.02 H new ATOM 0 HB3 ALA A 47 -15.979 -2.511 2.520 1.00 33.02 H new ATOM 677 N GLN A 48 -14.281 -2.564 5.016 1.00 62.53 N ATOM 678 CA GLN A 48 -14.239 -2.148 6.419 1.00 33.15 C ATOM 679 C GLN A 48 -12.797 -2.060 6.915 1.00 53.14 C ATOM 680 O GLN A 48 -12.450 -1.156 7.680 1.00 22.00 O ATOM 681 CB GLN A 48 -15.048 -3.086 7.324 1.00 53.31 C ATOM 682 CG GLN A 48 -16.535 -3.169 6.996 1.00 10.24 C ATOM 683 CD GLN A 48 -17.234 -1.829 7.045 1.00 24.35 C ATOM 684 OE1 GLN A 48 -17.731 -1.414 8.088 1.00 23.54 O ATOM 685 NE2 GLN A 48 -17.322 -1.168 5.927 1.00 0.14 N ATOM 0 H GLN A 48 -14.728 -3.467 4.859 1.00 62.53 H new ATOM 0 HA GLN A 48 -14.696 -1.160 6.471 1.00 33.15 H new ATOM 0 HB2 GLN A 48 -14.620 -4.087 7.261 1.00 53.31 H new ATOM 0 HB3 GLN A 48 -14.936 -2.756 8.357 1.00 53.31 H new ATOM 0 HG2 GLN A 48 -16.657 -3.599 6.002 1.00 10.24 H new ATOM 0 HG3 GLN A 48 -17.018 -3.849 7.698 1.00 10.24 H new ATOM 0 HE21 GLN A 48 -16.897 -1.542 5.079 1.00 0.14 H new ATOM 0 HE22 GLN A 48 -17.816 -0.276 5.899 1.00 0.14 H new ATOM 694 N GLN A 49 -11.959 -2.991 6.470 1.00 32.53 N ATOM 695 CA GLN A 49 -10.539 -2.992 6.837 1.00 42.30 C ATOM 696 C GLN A 49 -9.855 -1.798 6.189 1.00 31.40 C ATOM 697 O GLN A 49 -9.136 -1.021 6.839 1.00 5.32 O ATOM 698 CB GLN A 49 -9.843 -4.278 6.360 1.00 53.12 C ATOM 699 CG GLN A 49 -10.506 -5.553 6.827 1.00 4.14 C ATOM 700 CD GLN A 49 -9.696 -6.800 6.516 1.00 42.45 C ATOM 701 OE1 GLN A 49 -9.933 -7.397 5.381 1.00 65.23 O flip ATOM 702 NE2 GLN A 49 -8.875 -7.233 7.311 1.00 75.54 N flip ATOM 0 H GLN A 49 -12.235 -3.756 5.854 1.00 32.53 H new ATOM 0 HA GLN A 49 -10.466 -2.937 7.923 1.00 42.30 H new ATOM 0 HB2 GLN A 49 -9.810 -4.277 5.270 1.00 53.12 H new ATOM 0 HB3 GLN A 49 -8.811 -4.270 6.710 1.00 53.12 H new ATOM 0 HG2 GLN A 49 -10.672 -5.495 7.903 1.00 4.14 H new ATOM 0 HG3 GLN A 49 -11.486 -5.638 6.357 1.00 4.14 H new ATOM 0 HE21 GLN A 49 -8.711 -6.745 8.191 1.00 75.54 H new ATOM 0 HE22 GLN A 49 -8.354 -8.083 7.094 1.00 75.54 H new ATOM 711 N LEU A 50 -10.177 -1.623 4.931 1.00 71.23 N ATOM 712 CA LEU A 50 -9.585 -0.611 4.065 1.00 55.32 C ATOM 713 C LEU A 50 -9.887 0.785 4.617 1.00 72.20 C ATOM 714 O LEU A 50 -8.989 1.619 4.740 1.00 1.23 O ATOM 715 CB LEU A 50 -10.187 -0.789 2.633 1.00 62.35 C ATOM 716 CG LEU A 50 -9.546 -0.051 1.418 1.00 65.23 C ATOM 717 CD1 LEU A 50 -9.649 1.469 1.500 1.00 64.01 C ATOM 718 CD2 LEU A 50 -8.112 -0.490 1.209 1.00 4.35 C ATOM 0 H LEU A 50 -10.879 -2.194 4.459 1.00 71.23 H new ATOM 0 HA LEU A 50 -8.502 -0.724 4.023 1.00 55.32 H new ATOM 0 HB2 LEU A 50 -10.175 -1.855 2.407 1.00 62.35 H new ATOM 0 HB3 LEU A 50 -11.233 -0.485 2.681 1.00 62.35 H new ATOM 0 HG LEU A 50 -10.133 -0.343 0.547 1.00 65.23 H new ATOM 0 HD11 LEU A 50 -9.182 1.913 0.621 1.00 64.01 H new ATOM 0 HD12 LEU A 50 -10.698 1.761 1.540 1.00 64.01 H new ATOM 0 HD13 LEU A 50 -9.140 1.820 2.398 1.00 64.01 H new ATOM 0 HD21 LEU A 50 -7.690 0.040 0.355 1.00 4.35 H new ATOM 0 HD22 LEU A 50 -7.529 -0.264 2.102 1.00 4.35 H new ATOM 0 HD23 LEU A 50 -8.084 -1.563 1.019 1.00 4.35 H new ATOM 730 N ARG A 51 -11.132 1.006 5.010 1.00 40.12 N ATOM 731 CA ARG A 51 -11.565 2.321 5.453 1.00 12.44 C ATOM 732 C ARG A 51 -10.893 2.769 6.750 1.00 13.03 C ATOM 733 O ARG A 51 -10.842 3.945 7.046 1.00 53.25 O ATOM 734 CB ARG A 51 -13.084 2.422 5.581 1.00 45.41 C ATOM 735 CG ARG A 51 -13.681 1.726 6.787 1.00 52.14 C ATOM 736 CD ARG A 51 -15.172 1.980 6.877 1.00 64.02 C ATOM 737 NE ARG A 51 -15.763 1.395 8.091 1.00 33.44 N ATOM 738 CZ ARG A 51 -16.912 1.802 8.662 1.00 4.41 C ATOM 739 NH1 ARG A 51 -17.571 2.840 8.169 1.00 20.32 N ATOM 740 NH2 ARG A 51 -17.373 1.174 9.734 1.00 31.21 N ATOM 0 H ARG A 51 -11.860 0.292 5.031 1.00 40.12 H new ATOM 0 HA ARG A 51 -11.244 3.004 4.667 1.00 12.44 H new ATOM 0 HB2 ARG A 51 -13.360 3.476 5.617 1.00 45.41 H new ATOM 0 HB3 ARG A 51 -13.536 2.005 4.681 1.00 45.41 H new ATOM 0 HG2 ARG A 51 -13.494 0.654 6.722 1.00 52.14 H new ATOM 0 HG3 ARG A 51 -13.193 2.080 7.695 1.00 52.14 H new ATOM 0 HD2 ARG A 51 -15.357 3.054 6.866 1.00 64.02 H new ATOM 0 HD3 ARG A 51 -15.664 1.563 5.998 1.00 64.02 H new ATOM 0 HE ARG A 51 -15.264 0.623 8.533 1.00 33.44 H new ATOM 0 HH11 ARG A 51 -17.208 3.334 7.354 1.00 20.32 H new ATOM 0 HH12 ARG A 51 -18.441 3.145 8.605 1.00 20.32 H new ATOM 0 HH21 ARG A 51 -16.857 0.385 10.124 1.00 31.21 H new ATOM 0 HH22 ARG A 51 -18.243 1.480 10.169 1.00 31.21 H new ATOM 754 N GLU A 52 -10.402 1.838 7.529 1.00 1.31 N ATOM 755 CA GLU A 52 -9.772 2.219 8.774 1.00 71.11 C ATOM 756 C GLU A 52 -8.257 2.176 8.695 1.00 31.42 C ATOM 757 O GLU A 52 -7.568 2.278 9.711 1.00 43.41 O ATOM 758 CB GLU A 52 -10.321 1.436 9.956 1.00 3.24 C ATOM 759 CG GLU A 52 -11.802 1.683 10.176 1.00 52.35 C ATOM 760 CD GLU A 52 -12.305 1.115 11.461 1.00 45.11 C ATOM 761 OE1 GLU A 52 -12.715 -0.057 11.487 1.00 51.53 O ATOM 762 OE2 GLU A 52 -12.322 1.846 12.476 1.00 0.33 O ATOM 0 H GLU A 52 -10.423 0.837 7.334 1.00 1.31 H new ATOM 0 HA GLU A 52 -10.033 3.263 8.949 1.00 71.11 H new ATOM 0 HB2 GLU A 52 -10.153 0.371 9.792 1.00 3.24 H new ATOM 0 HB3 GLU A 52 -9.772 1.710 10.857 1.00 3.24 H new ATOM 0 HG2 GLU A 52 -11.992 2.756 10.161 1.00 52.35 H new ATOM 0 HG3 GLU A 52 -12.364 1.249 9.349 1.00 52.35 H new ATOM 769 N GLY A 53 -7.746 2.046 7.485 1.00 34.24 N ATOM 770 CA GLY A 53 -6.316 2.068 7.275 1.00 53.41 C ATOM 771 C GLY A 53 -5.638 0.800 7.713 1.00 41.43 C ATOM 772 O GLY A 53 -4.499 0.823 8.176 1.00 1.34 O ATOM 0 H GLY A 53 -8.300 1.925 6.637 1.00 34.24 H new ATOM 0 HA2 GLY A 53 -6.112 2.236 6.217 1.00 53.41 H new ATOM 0 HA3 GLY A 53 -5.887 2.909 7.819 1.00 53.41 H new ATOM 776 N HIS A 54 -6.324 -0.306 7.586 1.00 4.53 N ATOM 777 CA HIS A 54 -5.737 -1.586 7.942 1.00 62.44 C ATOM 778 C HIS A 54 -5.175 -2.258 6.703 1.00 42.33 C ATOM 779 O HIS A 54 -4.532 -3.298 6.780 1.00 21.21 O ATOM 780 CB HIS A 54 -6.759 -2.500 8.654 1.00 74.13 C ATOM 781 CG HIS A 54 -7.258 -1.960 9.974 1.00 53.42 C ATOM 782 ND1 HIS A 54 -8.593 -1.861 10.323 1.00 32.15 N ATOM 783 CD2 HIS A 54 -6.566 -1.520 11.052 1.00 43.40 C ATOM 784 CE1 HIS A 54 -8.667 -1.377 11.562 1.00 54.25 C ATOM 785 NE2 HIS A 54 -7.461 -1.150 12.055 1.00 33.21 N ATOM 0 H HIS A 54 -7.283 -0.354 7.242 1.00 4.53 H new ATOM 0 HA HIS A 54 -4.923 -1.407 8.645 1.00 62.44 H new ATOM 0 HB2 HIS A 54 -7.611 -2.657 7.993 1.00 74.13 H new ATOM 0 HB3 HIS A 54 -6.302 -3.475 8.822 1.00 74.13 H new ATOM 0 HD2 HIS A 54 -5.490 -1.464 11.123 1.00 43.40 H new ATOM 0 HE1 HIS A 54 -9.589 -1.194 12.093 1.00 54.25 H new ATOM 0 HE2 HIS A 54 -7.233 -0.781 12.978 1.00 33.21 H new ATOM 793 N LEU A 55 -5.422 -1.639 5.561 1.00 63.24 N ATOM 794 CA LEU A 55 -4.977 -2.123 4.278 1.00 43.42 C ATOM 795 C LEU A 55 -5.092 -0.951 3.313 1.00 52.44 C ATOM 796 O LEU A 55 -5.843 -0.017 3.599 1.00 74.14 O ATOM 797 CB LEU A 55 -5.894 -3.278 3.831 1.00 41.41 C ATOM 798 CG LEU A 55 -5.509 -4.025 2.554 1.00 51.30 C ATOM 799 CD1 LEU A 55 -4.159 -4.719 2.718 1.00 53.43 C ATOM 800 CD2 LEU A 55 -6.594 -5.028 2.194 1.00 60.32 C ATOM 0 H LEU A 55 -5.949 -0.768 5.506 1.00 63.24 H new ATOM 0 HA LEU A 55 -3.953 -2.495 4.313 1.00 43.42 H new ATOM 0 HB2 LEU A 55 -5.944 -4.003 4.644 1.00 41.41 H new ATOM 0 HB3 LEU A 55 -6.899 -2.878 3.698 1.00 41.41 H new ATOM 0 HG LEU A 55 -5.416 -3.305 1.741 1.00 51.30 H new ATOM 0 HD11 LEU A 55 -3.906 -5.244 1.797 1.00 53.43 H new ATOM 0 HD12 LEU A 55 -3.392 -3.976 2.935 1.00 53.43 H new ATOM 0 HD13 LEU A 55 -4.215 -5.433 3.539 1.00 53.43 H new ATOM 0 HD21 LEU A 55 -6.313 -5.557 1.283 1.00 60.32 H new ATOM 0 HD22 LEU A 55 -6.712 -5.744 3.007 1.00 60.32 H new ATOM 0 HD23 LEU A 55 -7.536 -4.503 2.033 1.00 60.32 H new ATOM 812 N VAL A 56 -4.354 -0.966 2.213 1.00 73.53 N ATOM 813 CA VAL A 56 -4.458 0.091 1.227 1.00 41.23 C ATOM 814 C VAL A 56 -4.479 -0.520 -0.183 1.00 21.33 C ATOM 815 O VAL A 56 -3.882 -1.575 -0.420 1.00 43.02 O ATOM 816 CB VAL A 56 -3.329 1.173 1.397 1.00 20.13 C ATOM 817 CG1 VAL A 56 -1.943 0.588 1.234 1.00 75.43 C ATOM 818 CG2 VAL A 56 -3.529 2.363 0.464 1.00 22.13 C ATOM 0 H VAL A 56 -3.680 -1.697 1.984 1.00 73.53 H new ATOM 0 HA VAL A 56 -5.397 0.622 1.383 1.00 41.23 H new ATOM 0 HB VAL A 56 -3.412 1.537 2.421 1.00 20.13 H new ATOM 0 HG11 VAL A 56 -1.199 1.374 1.360 1.00 75.43 H new ATOM 0 HG12 VAL A 56 -1.784 -0.186 1.985 1.00 75.43 H new ATOM 0 HG13 VAL A 56 -1.846 0.153 0.239 1.00 75.43 H new ATOM 0 HG21 VAL A 56 -2.726 3.084 0.617 1.00 22.13 H new ATOM 0 HG22 VAL A 56 -3.517 2.020 -0.571 1.00 22.13 H new ATOM 0 HG23 VAL A 56 -4.487 2.836 0.678 1.00 22.13 H new ATOM 828 N ALA A 57 -5.198 0.120 -1.076 1.00 65.12 N ATOM 829 CA ALA A 57 -5.397 -0.359 -2.434 1.00 24.55 C ATOM 830 C ALA A 57 -4.882 0.661 -3.439 1.00 2.01 C ATOM 831 O ALA A 57 -4.681 1.825 -3.094 1.00 74.22 O ATOM 832 CB ALA A 57 -6.873 -0.642 -2.678 1.00 63.14 C ATOM 0 H ALA A 57 -5.671 1.003 -0.881 1.00 65.12 H new ATOM 0 HA ALA A 57 -4.835 -1.284 -2.563 1.00 24.55 H new ATOM 0 HB1 ALA A 57 -7.011 -1.000 -3.698 1.00 63.14 H new ATOM 0 HB2 ALA A 57 -7.219 -1.402 -1.977 1.00 63.14 H new ATOM 0 HB3 ALA A 57 -7.448 0.273 -2.534 1.00 63.14 H new ATOM 838 N VAL A 58 -4.673 0.232 -4.661 1.00 54.44 N ATOM 839 CA VAL A 58 -4.159 1.078 -5.716 1.00 62.22 C ATOM 840 C VAL A 58 -5.078 1.027 -6.925 1.00 4.40 C ATOM 841 O VAL A 58 -5.841 0.069 -7.099 1.00 35.23 O ATOM 842 CB VAL A 58 -2.719 0.677 -6.143 1.00 24.14 C ATOM 843 CG1 VAL A 58 -1.789 0.775 -4.967 1.00 31.42 C ATOM 844 CG2 VAL A 58 -2.667 -0.728 -6.744 1.00 24.42 C ATOM 0 H VAL A 58 -4.857 -0.727 -4.956 1.00 54.44 H new ATOM 0 HA VAL A 58 -4.120 2.093 -5.321 1.00 62.22 H new ATOM 0 HB VAL A 58 -2.400 1.373 -6.919 1.00 24.14 H new ATOM 0 HG11 VAL A 58 -0.782 0.492 -5.275 1.00 31.42 H new ATOM 0 HG12 VAL A 58 -1.780 1.799 -4.594 1.00 31.42 H new ATOM 0 HG13 VAL A 58 -2.129 0.105 -4.178 1.00 31.42 H new ATOM 0 HG21 VAL A 58 -1.641 -0.965 -7.028 1.00 24.42 H new ATOM 0 HG22 VAL A 58 -3.016 -1.452 -6.008 1.00 24.42 H new ATOM 0 HG23 VAL A 58 -3.306 -0.770 -7.626 1.00 24.42 H new ATOM 854 N ARG A 59 -5.011 2.043 -7.742 1.00 5.14 N ATOM 855 CA ARG A 59 -5.830 2.138 -8.922 1.00 22.43 C ATOM 856 C ARG A 59 -4.950 1.988 -10.156 1.00 15.33 C ATOM 857 O ARG A 59 -4.027 2.777 -10.370 1.00 44.01 O ATOM 858 CB ARG A 59 -6.573 3.487 -8.936 1.00 32.00 C ATOM 859 CG ARG A 59 -7.389 3.726 -10.185 1.00 60.51 C ATOM 860 CD ARG A 59 -8.091 5.069 -10.160 1.00 43.44 C ATOM 861 NE ARG A 59 -8.748 5.351 -11.446 1.00 42.41 N ATOM 862 CZ ARG A 59 -9.976 5.862 -11.601 1.00 54.05 C ATOM 863 NH1 ARG A 59 -10.725 6.170 -10.539 1.00 2.02 N ATOM 864 NH2 ARG A 59 -10.447 6.075 -12.823 1.00 60.13 N ATOM 0 H ARG A 59 -4.382 2.835 -7.607 1.00 5.14 H new ATOM 0 HA ARG A 59 -6.574 1.341 -8.922 1.00 22.43 H new ATOM 0 HB2 ARG A 59 -7.232 3.536 -8.069 1.00 32.00 H new ATOM 0 HB3 ARG A 59 -5.846 4.292 -8.830 1.00 32.00 H new ATOM 0 HG2 ARG A 59 -6.738 3.674 -11.058 1.00 60.51 H new ATOM 0 HG3 ARG A 59 -8.129 2.933 -10.291 1.00 60.51 H new ATOM 0 HD2 ARG A 59 -8.832 5.080 -9.360 1.00 43.44 H new ATOM 0 HD3 ARG A 59 -7.370 5.855 -9.937 1.00 43.44 H new ATOM 0 HE ARG A 59 -8.222 5.139 -12.294 1.00 42.41 H new ATOM 0 HH11 ARG A 59 -10.363 6.017 -9.598 1.00 2.02 H new ATOM 0 HH12 ARG A 59 -11.659 6.559 -10.669 1.00 2.02 H new ATOM 0 HH21 ARG A 59 -9.875 5.850 -13.637 1.00 60.13 H new ATOM 0 HH22 ARG A 59 -11.382 6.464 -12.949 1.00 60.13 H new ATOM 878 N ARG A 60 -5.218 0.975 -10.942 1.00 54.44 N ATOM 879 CA ARG A 60 -4.442 0.694 -12.136 1.00 52.34 C ATOM 880 C ARG A 60 -5.296 0.045 -13.203 1.00 1.11 C ATOM 881 O ARG A 60 -6.052 -0.891 -12.914 1.00 11.31 O ATOM 882 CB ARG A 60 -3.227 -0.188 -11.802 1.00 13.23 C ATOM 883 CG ARG A 60 -3.554 -1.397 -10.939 1.00 0.23 C ATOM 884 CD ARG A 60 -2.312 -2.195 -10.596 1.00 20.41 C ATOM 885 NE ARG A 60 -1.744 -2.883 -11.756 1.00 71.22 N ATOM 886 CZ ARG A 60 -0.439 -3.012 -12.007 1.00 75.44 C ATOM 887 NH1 ARG A 60 0.458 -2.306 -11.323 1.00 65.11 N ATOM 888 NH2 ARG A 60 -0.044 -3.803 -12.987 1.00 31.01 N ATOM 0 H ARG A 60 -5.980 0.318 -10.776 1.00 54.44 H new ATOM 0 HA ARG A 60 -4.079 1.644 -12.529 1.00 52.34 H new ATOM 0 HB2 ARG A 60 -2.774 -0.531 -12.732 1.00 13.23 H new ATOM 0 HB3 ARG A 60 -2.481 0.419 -11.290 1.00 13.23 H new ATOM 0 HG2 ARG A 60 -4.040 -1.067 -10.021 1.00 0.23 H new ATOM 0 HG3 ARG A 60 -4.264 -2.037 -11.463 1.00 0.23 H new ATOM 0 HD2 ARG A 60 -1.562 -1.527 -10.172 1.00 20.41 H new ATOM 0 HD3 ARG A 60 -2.557 -2.928 -9.828 1.00 20.41 H new ATOM 0 HE ARG A 60 -2.395 -3.296 -12.424 1.00 71.22 H new ATOM 0 HH11 ARG A 60 0.151 -1.658 -10.598 1.00 65.11 H new ATOM 0 HH12 ARG A 60 1.452 -2.413 -11.524 1.00 65.11 H new ATOM 0 HH21 ARG A 60 -0.733 -4.308 -13.544 1.00 31.01 H new ATOM 0 HH22 ARG A 60 0.950 -3.909 -13.188 1.00 31.01 H new ATOM 902 N ALA A 61 -5.215 0.587 -14.418 1.00 72.44 N ATOM 903 CA ALA A 61 -5.915 0.058 -15.607 1.00 4.24 C ATOM 904 C ALA A 61 -7.440 0.082 -15.438 1.00 41.03 C ATOM 905 O ALA A 61 -8.167 -0.696 -16.069 1.00 11.03 O ATOM 906 CB ALA A 61 -5.418 -1.346 -15.942 1.00 41.11 C ATOM 0 H ALA A 61 -4.656 1.417 -14.615 1.00 72.44 H new ATOM 0 HA ALA A 61 -5.681 0.716 -16.444 1.00 4.24 H new ATOM 0 HB1 ALA A 61 -5.945 -1.719 -16.820 1.00 41.11 H new ATOM 0 HB2 ALA A 61 -4.348 -1.314 -16.147 1.00 41.11 H new ATOM 0 HB3 ALA A 61 -5.606 -2.009 -15.098 1.00 41.11 H new ATOM 912 N GLY A 62 -7.917 0.995 -14.614 1.00 20.50 N ATOM 913 CA GLY A 62 -9.339 1.130 -14.375 1.00 63.34 C ATOM 914 C GLY A 62 -9.834 0.187 -13.297 1.00 1.04 C ATOM 915 O GLY A 62 -11.044 0.054 -13.074 1.00 23.12 O ATOM 0 H GLY A 62 -7.337 1.656 -14.097 1.00 20.50 H new ATOM 0 HA2 GLY A 62 -9.560 2.157 -14.085 1.00 63.34 H new ATOM 0 HA3 GLY A 62 -9.881 0.936 -15.301 1.00 63.34 H new ATOM 919 N GLY A 63 -8.916 -0.474 -12.636 1.00 52.23 N ATOM 920 CA GLY A 63 -9.272 -1.396 -11.601 1.00 62.50 C ATOM 921 C GLY A 63 -8.582 -1.067 -10.315 1.00 12.41 C ATOM 922 O GLY A 63 -7.415 -0.646 -10.316 1.00 40.42 O ATOM 0 H GLY A 63 -7.913 -0.386 -12.802 1.00 52.23 H new ATOM 0 HA2 GLY A 63 -10.352 -1.378 -11.451 1.00 62.50 H new ATOM 0 HA3 GLY A 63 -9.010 -2.409 -11.908 1.00 62.50 H new ATOM 926 N VAL A 64 -9.287 -1.215 -9.229 1.00 43.23 N ATOM 927 CA VAL A 64 -8.727 -0.976 -7.932 1.00 71.12 C ATOM 928 C VAL A 64 -8.356 -2.322 -7.348 1.00 54.24 C ATOM 929 O VAL A 64 -9.214 -3.194 -7.174 1.00 52.03 O ATOM 930 CB VAL A 64 -9.731 -0.239 -6.995 1.00 15.24 C ATOM 931 CG1 VAL A 64 -9.117 0.028 -5.624 1.00 73.32 C ATOM 932 CG2 VAL A 64 -10.188 1.071 -7.627 1.00 34.20 C ATOM 0 H VAL A 64 -10.265 -1.504 -9.219 1.00 43.23 H new ATOM 0 HA VAL A 64 -7.853 -0.331 -8.023 1.00 71.12 H new ATOM 0 HB VAL A 64 -10.596 -0.889 -6.859 1.00 15.24 H new ATOM 0 HG11 VAL A 64 -9.843 0.543 -4.994 1.00 73.32 H new ATOM 0 HG12 VAL A 64 -8.840 -0.918 -5.159 1.00 73.32 H new ATOM 0 HG13 VAL A 64 -8.229 0.650 -5.738 1.00 73.32 H new ATOM 0 HG21 VAL A 64 -10.889 1.572 -6.959 1.00 34.20 H new ATOM 0 HG22 VAL A 64 -9.324 1.714 -7.796 1.00 34.20 H new ATOM 0 HG23 VAL A 64 -10.678 0.864 -8.578 1.00 34.20 H new ATOM 942 N VAL A 65 -7.105 -2.487 -7.060 1.00 50.20 N ATOM 943 CA VAL A 65 -6.579 -3.743 -6.587 1.00 31.33 C ATOM 944 C VAL A 65 -5.685 -3.515 -5.394 1.00 34.13 C ATOM 945 O VAL A 65 -5.238 -2.401 -5.151 1.00 0.32 O ATOM 946 CB VAL A 65 -5.791 -4.500 -7.699 1.00 52.10 C ATOM 947 CG1 VAL A 65 -6.724 -4.998 -8.795 1.00 44.25 C ATOM 948 CG2 VAL A 65 -4.725 -3.611 -8.305 1.00 44.40 C ATOM 0 H VAL A 65 -6.405 -1.750 -7.145 1.00 50.20 H new ATOM 0 HA VAL A 65 -7.427 -4.364 -6.298 1.00 31.33 H new ATOM 0 HB VAL A 65 -5.313 -5.360 -7.230 1.00 52.10 H new ATOM 0 HG11 VAL A 65 -6.145 -5.522 -9.556 1.00 44.25 H new ATOM 0 HG12 VAL A 65 -7.459 -5.679 -8.366 1.00 44.25 H new ATOM 0 HG13 VAL A 65 -7.237 -4.150 -9.249 1.00 44.25 H new ATOM 0 HG21 VAL A 65 -4.189 -4.161 -9.078 1.00 44.40 H new ATOM 0 HG22 VAL A 65 -5.193 -2.730 -8.745 1.00 44.40 H new ATOM 0 HG23 VAL A 65 -4.025 -3.301 -7.529 1.00 44.40 H new ATOM 958 N ILE A 66 -5.436 -4.552 -4.663 1.00 53.51 N ATOM 959 CA ILE A 66 -4.622 -4.487 -3.483 1.00 31.00 C ATOM 960 C ILE A 66 -3.318 -5.230 -3.765 1.00 1.21 C ATOM 961 O ILE A 66 -3.352 -6.345 -4.277 1.00 42.33 O ATOM 962 CB ILE A 66 -5.319 -5.136 -2.220 1.00 13.03 C ATOM 963 CG1 ILE A 66 -6.656 -4.446 -1.830 1.00 53.15 C ATOM 964 CG2 ILE A 66 -4.379 -5.122 -1.024 1.00 33.22 C ATOM 965 CD1 ILE A 66 -7.839 -4.722 -2.750 1.00 10.34 C ATOM 0 H ILE A 66 -5.796 -5.484 -4.868 1.00 53.51 H new ATOM 0 HA ILE A 66 -4.450 -3.436 -3.250 1.00 31.00 H new ATOM 0 HB ILE A 66 -5.555 -6.162 -2.504 1.00 13.03 H new ATOM 0 HG12 ILE A 66 -6.924 -4.760 -0.821 1.00 53.15 H new ATOM 0 HG13 ILE A 66 -6.491 -3.369 -1.796 1.00 53.15 H new ATOM 0 HG21 ILE A 66 -4.876 -5.573 -0.165 1.00 33.22 H new ATOM 0 HG22 ILE A 66 -3.479 -5.690 -1.262 1.00 33.22 H new ATOM 0 HG23 ILE A 66 -4.107 -4.093 -0.787 1.00 33.22 H new ATOM 0 HD11 ILE A 66 -8.717 -4.191 -2.383 1.00 10.34 H new ATOM 0 HD12 ILE A 66 -7.604 -4.380 -3.758 1.00 10.34 H new ATOM 0 HD13 ILE A 66 -8.044 -5.792 -2.768 1.00 10.34 H new ATOM 977 N PRO A 67 -2.162 -4.606 -3.520 1.00 2.02 N ATOM 978 CA PRO A 67 -0.857 -5.265 -3.661 1.00 61.43 C ATOM 979 C PRO A 67 -0.767 -6.556 -2.822 1.00 50.14 C ATOM 980 O PRO A 67 -0.925 -6.526 -1.601 1.00 51.52 O ATOM 981 CB PRO A 67 0.115 -4.224 -3.112 1.00 51.42 C ATOM 982 CG PRO A 67 -0.562 -2.923 -3.348 1.00 55.33 C ATOM 983 CD PRO A 67 -2.020 -3.187 -3.123 1.00 0.34 C ATOM 0 HA PRO A 67 -0.658 -5.567 -4.689 1.00 61.43 H new ATOM 0 HB2 PRO A 67 0.310 -4.383 -2.052 1.00 51.42 H new ATOM 0 HB3 PRO A 67 1.076 -4.270 -3.623 1.00 51.42 H new ATOM 0 HG2 PRO A 67 -0.191 -2.158 -2.666 1.00 55.33 H new ATOM 0 HG3 PRO A 67 -0.379 -2.563 -4.361 1.00 55.33 H new ATOM 0 HD2 PRO A 67 -2.304 -3.028 -2.083 1.00 0.34 H new ATOM 0 HD3 PRO A 67 -2.648 -2.533 -3.728 1.00 0.34 H new ATOM 991 N GLN A 68 -0.495 -7.682 -3.485 1.00 61.32 N ATOM 992 CA GLN A 68 -0.414 -8.979 -2.831 1.00 23.31 C ATOM 993 C GLN A 68 0.757 -9.048 -1.861 1.00 10.42 C ATOM 994 O GLN A 68 0.742 -9.811 -0.904 1.00 23.22 O ATOM 995 CB GLN A 68 -0.352 -10.069 -3.887 1.00 55.23 C ATOM 996 CG GLN A 68 -0.214 -11.485 -3.372 1.00 13.34 C ATOM 997 CD GLN A 68 -0.480 -12.512 -4.446 1.00 2.04 C ATOM 998 OE1 GLN A 68 -1.368 -12.196 -5.359 1.00 62.35 O flip ATOM 999 NE2 GLN A 68 0.084 -13.598 -4.435 1.00 61.14 N flip ATOM 0 H GLN A 68 -0.326 -7.715 -4.490 1.00 61.32 H new ATOM 0 HA GLN A 68 -1.310 -9.132 -2.229 1.00 23.31 H new ATOM 0 HB2 GLN A 68 -1.255 -10.011 -4.494 1.00 55.23 H new ATOM 0 HB3 GLN A 68 0.490 -9.860 -4.547 1.00 55.23 H new ATOM 0 HG2 GLN A 68 0.791 -11.629 -2.975 1.00 13.34 H new ATOM 0 HG3 GLN A 68 -0.908 -11.638 -2.546 1.00 13.34 H new ATOM 0 HE21 GLN A 68 0.769 -13.809 -3.710 1.00 61.14 H new ATOM 0 HE22 GLN A 68 -0.131 -14.292 -5.151 1.00 61.14 H new ATOM 1008 N VAL A 69 1.753 -8.222 -2.110 1.00 34.13 N ATOM 1009 CA VAL A 69 2.949 -8.131 -1.263 1.00 1.01 C ATOM 1010 C VAL A 69 2.627 -7.596 0.159 1.00 20.22 C ATOM 1011 O VAL A 69 3.480 -7.594 1.034 1.00 2.12 O ATOM 1012 CB VAL A 69 4.031 -7.244 -1.921 1.00 72.23 C ATOM 1013 CG1 VAL A 69 4.486 -7.845 -3.245 1.00 33.52 C ATOM 1014 CG2 VAL A 69 3.507 -5.833 -2.133 1.00 71.45 C ATOM 0 H VAL A 69 1.766 -7.587 -2.908 1.00 34.13 H new ATOM 0 HA VAL A 69 3.331 -9.147 -1.160 1.00 1.01 H new ATOM 0 HB VAL A 69 4.889 -7.198 -1.250 1.00 72.23 H new ATOM 0 HG11 VAL A 69 5.247 -7.206 -3.692 1.00 33.52 H new ATOM 0 HG12 VAL A 69 4.902 -8.837 -3.070 1.00 33.52 H new ATOM 0 HG13 VAL A 69 3.635 -7.922 -3.921 1.00 33.52 H new ATOM 0 HG21 VAL A 69 4.282 -5.223 -2.597 1.00 71.45 H new ATOM 0 HG22 VAL A 69 2.632 -5.864 -2.782 1.00 71.45 H new ATOM 0 HG23 VAL A 69 3.231 -5.399 -1.172 1.00 71.45 H new ATOM 1024 N PHE A 70 1.395 -7.133 0.361 1.00 71.42 N ATOM 1025 CA PHE A 70 0.942 -6.677 1.671 1.00 44.35 C ATOM 1026 C PHE A 70 0.399 -7.844 2.499 1.00 5.12 C ATOM 1027 O PHE A 70 -0.010 -7.678 3.665 1.00 10.32 O ATOM 1028 CB PHE A 70 -0.141 -5.607 1.544 1.00 53.14 C ATOM 1029 CG PHE A 70 0.322 -4.203 1.218 1.00 70.10 C ATOM 1030 CD1 PHE A 70 1.497 -3.674 1.762 1.00 12.41 C ATOM 1031 CD2 PHE A 70 -0.448 -3.396 0.410 1.00 32.24 C ATOM 1032 CE1 PHE A 70 1.880 -2.371 1.487 1.00 65.13 C ATOM 1033 CE2 PHE A 70 -0.072 -2.099 0.143 1.00 45.41 C ATOM 1034 CZ PHE A 70 1.091 -1.584 0.678 1.00 24.40 C ATOM 0 H PHE A 70 0.689 -7.064 -0.372 1.00 71.42 H new ATOM 0 HA PHE A 70 1.807 -6.247 2.176 1.00 44.35 H new ATOM 0 HB2 PHE A 70 -0.841 -5.922 0.770 1.00 53.14 H new ATOM 0 HB3 PHE A 70 -0.696 -5.573 2.481 1.00 53.14 H new ATOM 0 HD1 PHE A 70 2.112 -4.288 2.403 1.00 12.41 H new ATOM 0 HD2 PHE A 70 -1.359 -3.786 -0.020 1.00 32.24 H new ATOM 0 HE1 PHE A 70 2.793 -1.974 1.905 1.00 65.13 H new ATOM 0 HE2 PHE A 70 -0.691 -1.480 -0.489 1.00 45.41 H new ATOM 0 HZ PHE A 70 1.382 -0.566 0.463 1.00 24.40 H new ATOM 1044 N PHE A 71 0.382 -9.003 1.903 1.00 53.12 N ATOM 1045 CA PHE A 71 -0.105 -10.188 2.550 1.00 62.00 C ATOM 1046 C PHE A 71 1.019 -11.179 2.681 1.00 32.43 C ATOM 1047 O PHE A 71 1.921 -11.226 1.840 1.00 42.13 O ATOM 1048 CB PHE A 71 -1.258 -10.828 1.755 1.00 1.44 C ATOM 1049 CG PHE A 71 -2.517 -10.004 1.679 1.00 32.24 C ATOM 1050 CD1 PHE A 71 -2.650 -8.997 0.740 1.00 41.15 C ATOM 1051 CD2 PHE A 71 -3.573 -10.254 2.540 1.00 55.41 C ATOM 1052 CE1 PHE A 71 -3.807 -8.256 0.662 1.00 73.43 C ATOM 1053 CE2 PHE A 71 -4.734 -9.512 2.467 1.00 71.32 C ATOM 1054 CZ PHE A 71 -4.852 -8.512 1.526 1.00 60.12 C ATOM 0 H PHE A 71 0.708 -9.153 0.948 1.00 53.12 H new ATOM 0 HA PHE A 71 -0.483 -9.910 3.534 1.00 62.00 H new ATOM 0 HB2 PHE A 71 -0.912 -11.029 0.741 1.00 1.44 H new ATOM 0 HB3 PHE A 71 -1.499 -11.791 2.206 1.00 1.44 H new ATOM 0 HD1 PHE A 71 -1.837 -8.790 0.060 1.00 41.15 H new ATOM 0 HD2 PHE A 71 -3.487 -11.039 3.277 1.00 55.41 H new ATOM 0 HE1 PHE A 71 -3.897 -7.473 -0.076 1.00 73.43 H new ATOM 0 HE2 PHE A 71 -5.549 -9.715 3.146 1.00 71.32 H new ATOM 0 HZ PHE A 71 -5.760 -7.930 1.465 1.00 60.12 H new ATOM 1064 N THR A 72 0.972 -11.956 3.715 1.00 31.11 N ATOM 1065 CA THR A 72 1.946 -12.982 3.943 1.00 31.41 C ATOM 1066 C THR A 72 1.553 -14.218 3.127 1.00 44.51 C ATOM 1067 O THR A 72 0.472 -14.235 2.503 1.00 13.41 O ATOM 1068 CB THR A 72 1.984 -13.336 5.446 1.00 24.14 C ATOM 1069 OG1 THR A 72 0.675 -13.782 5.872 1.00 52.42 O ATOM 1070 CG2 THR A 72 2.389 -12.115 6.270 1.00 63.54 C ATOM 0 H THR A 72 0.251 -11.898 4.434 1.00 31.11 H new ATOM 0 HA THR A 72 2.933 -12.636 3.638 1.00 31.41 H new ATOM 0 HB THR A 72 2.716 -14.129 5.599 1.00 24.14 H new ATOM 0 HG1 THR A 72 0.701 -14.008 6.825 1.00 52.42 H new ATOM 0 HG21 THR A 72 2.411 -12.380 7.327 1.00 63.54 H new ATOM 0 HG22 THR A 72 3.378 -11.778 5.960 1.00 63.54 H new ATOM 0 HG23 THR A 72 1.667 -11.314 6.112 1.00 63.54 H new ATOM 1078 N ASN A 73 2.384 -15.254 3.131 1.00 3.41 N ATOM 1079 CA ASN A 73 2.067 -16.501 2.411 1.00 63.21 C ATOM 1080 C ASN A 73 0.840 -17.194 2.995 1.00 31.25 C ATOM 1081 O ASN A 73 0.229 -18.031 2.354 1.00 23.22 O ATOM 1082 CB ASN A 73 3.263 -17.486 2.312 1.00 35.13 C ATOM 1083 CG ASN A 73 3.898 -17.883 3.646 1.00 14.01 C ATOM 1084 OD1 ASN A 73 3.272 -17.850 4.705 1.00 4.33 O ATOM 1085 ND2 ASN A 73 5.143 -18.287 3.601 1.00 61.50 N ATOM 0 H ASN A 73 3.280 -15.265 3.619 1.00 3.41 H new ATOM 0 HA ASN A 73 1.838 -16.194 1.390 1.00 63.21 H new ATOM 0 HB2 ASN A 73 2.926 -18.391 1.806 1.00 35.13 H new ATOM 0 HB3 ASN A 73 4.031 -17.036 1.683 1.00 35.13 H new ATOM 0 HD21 ASN A 73 5.614 -18.583 4.456 1.00 61.50 H new ATOM 0 HD22 ASN A 73 5.641 -18.306 2.711 1.00 61.50 H new ATOM 1092 N SER A 74 0.472 -16.817 4.204 1.00 54.42 N ATOM 1093 CA SER A 74 -0.701 -17.346 4.854 1.00 65.41 C ATOM 1094 C SER A 74 -1.960 -16.636 4.317 1.00 30.42 C ATOM 1095 O SER A 74 -3.086 -17.031 4.602 1.00 63.31 O ATOM 1096 CB SER A 74 -0.558 -17.105 6.348 1.00 1.34 C ATOM 1097 OG SER A 74 0.743 -17.492 6.776 1.00 60.11 O ATOM 0 H SER A 74 0.983 -16.132 4.761 1.00 54.42 H new ATOM 0 HA SER A 74 -0.800 -18.413 4.655 1.00 65.41 H new ATOM 0 HB2 SER A 74 -0.727 -16.052 6.574 1.00 1.34 H new ATOM 0 HB3 SER A 74 -1.313 -17.673 6.891 1.00 1.34 H new ATOM 0 HG SER A 74 0.831 -17.333 7.739 1.00 60.11 H new ATOM 1103 N GLY A 75 -1.745 -15.582 3.538 1.00 13.44 N ATOM 1104 CA GLY A 75 -2.838 -14.811 2.998 1.00 4.44 C ATOM 1105 C GLY A 75 -3.368 -13.852 4.022 1.00 70.21 C ATOM 1106 O GLY A 75 -4.496 -13.409 3.939 1.00 11.41 O ATOM 0 H GLY A 75 -0.819 -15.248 3.271 1.00 13.44 H new ATOM 0 HA2 GLY A 75 -2.502 -14.262 2.118 1.00 4.44 H new ATOM 0 HA3 GLY A 75 -3.635 -15.480 2.672 1.00 4.44 H new ATOM 1110 N GLN A 76 -2.540 -13.535 4.986 1.00 23.11 N ATOM 1111 CA GLN A 76 -2.927 -12.675 6.063 1.00 74.43 C ATOM 1112 C GLN A 76 -2.236 -11.340 5.892 1.00 71.13 C ATOM 1113 O GLN A 76 -1.106 -11.289 5.411 1.00 33.23 O ATOM 1114 CB GLN A 76 -2.543 -13.329 7.403 1.00 75.13 C ATOM 1115 CG GLN A 76 -2.967 -12.553 8.649 1.00 41.22 C ATOM 1116 CD GLN A 76 -4.467 -12.332 8.725 1.00 43.22 C ATOM 1117 OE1 GLN A 76 -5.261 -13.137 8.236 1.00 23.52 O ATOM 1118 NE2 GLN A 76 -4.868 -11.249 9.332 1.00 54.45 N ATOM 0 H GLN A 76 -1.578 -13.870 5.041 1.00 23.11 H new ATOM 0 HA GLN A 76 -4.005 -12.517 6.058 1.00 74.43 H new ATOM 0 HB2 GLN A 76 -2.988 -14.323 7.445 1.00 75.13 H new ATOM 0 HB3 GLN A 76 -1.461 -13.462 7.428 1.00 75.13 H new ATOM 0 HG2 GLN A 76 -2.639 -13.094 9.537 1.00 41.22 H new ATOM 0 HG3 GLN A 76 -2.462 -11.587 8.659 1.00 41.22 H new ATOM 0 HE21 GLN A 76 -4.185 -10.603 9.726 1.00 54.45 H new ATOM 0 HE22 GLN A 76 -5.865 -11.049 9.412 1.00 54.45 H new ATOM 1127 N VAL A 77 -2.923 -10.279 6.240 1.00 41.35 N ATOM 1128 CA VAL A 77 -2.372 -8.940 6.174 1.00 43.45 C ATOM 1129 C VAL A 77 -1.189 -8.864 7.140 1.00 53.52 C ATOM 1130 O VAL A 77 -1.280 -9.394 8.264 1.00 24.15 O ATOM 1131 CB VAL A 77 -3.447 -7.888 6.599 1.00 31.02 C ATOM 1132 CG1 VAL A 77 -2.924 -6.471 6.457 1.00 5.40 C ATOM 1133 CG2 VAL A 77 -4.729 -8.061 5.795 1.00 61.41 C ATOM 0 H VAL A 77 -3.884 -10.316 6.579 1.00 41.35 H new ATOM 0 HA VAL A 77 -2.056 -8.724 5.154 1.00 43.45 H new ATOM 0 HB VAL A 77 -3.672 -8.062 7.651 1.00 31.02 H new ATOM 0 HG11 VAL A 77 -3.697 -5.766 6.761 1.00 5.40 H new ATOM 0 HG12 VAL A 77 -2.046 -6.342 7.090 1.00 5.40 H new ATOM 0 HG13 VAL A 77 -2.652 -6.286 5.418 1.00 5.40 H new ATOM 0 HG21 VAL A 77 -5.460 -7.317 6.111 1.00 61.41 H new ATOM 0 HG22 VAL A 77 -4.514 -7.931 4.734 1.00 61.41 H new ATOM 0 HG23 VAL A 77 -5.132 -9.060 5.964 1.00 61.41 H new ATOM 1143 N VAL A 78 -0.078 -8.287 6.695 1.00 61.12 N ATOM 1144 CA VAL A 78 1.093 -8.114 7.556 1.00 12.12 C ATOM 1145 C VAL A 78 0.667 -7.319 8.784 1.00 71.53 C ATOM 1146 O VAL A 78 0.064 -6.263 8.658 1.00 14.40 O ATOM 1147 CB VAL A 78 2.246 -7.359 6.825 1.00 31.22 C ATOM 1148 CG1 VAL A 78 3.475 -7.194 7.713 1.00 3.22 C ATOM 1149 CG2 VAL A 78 2.623 -8.055 5.536 1.00 43.05 C ATOM 0 H VAL A 78 0.039 -7.931 5.746 1.00 61.12 H new ATOM 0 HA VAL A 78 1.471 -9.098 7.834 1.00 12.12 H new ATOM 0 HB VAL A 78 1.870 -6.364 6.588 1.00 31.22 H new ATOM 0 HG11 VAL A 78 4.252 -6.663 7.163 1.00 3.22 H new ATOM 0 HG12 VAL A 78 3.207 -6.625 8.603 1.00 3.22 H new ATOM 0 HG13 VAL A 78 3.845 -8.176 8.008 1.00 3.22 H new ATOM 0 HG21 VAL A 78 3.429 -7.506 5.048 1.00 43.05 H new ATOM 0 HG22 VAL A 78 2.955 -9.070 5.754 1.00 43.05 H new ATOM 0 HG23 VAL A 78 1.757 -8.091 4.875 1.00 43.05 H new ATOM 1159 N LYS A 79 0.966 -7.816 9.961 1.00 71.24 N ATOM 1160 CA LYS A 79 0.491 -7.163 11.184 1.00 4.31 C ATOM 1161 C LYS A 79 1.126 -5.792 11.406 1.00 15.13 C ATOM 1162 O LYS A 79 0.571 -4.944 12.085 1.00 5.51 O ATOM 1163 CB LYS A 79 0.648 -8.045 12.418 1.00 62.00 C ATOM 1164 CG LYS A 79 2.071 -8.405 12.722 1.00 73.50 C ATOM 1165 CD LYS A 79 2.216 -9.248 14.004 1.00 2.41 C ATOM 1166 CE LYS A 79 2.085 -8.440 15.321 1.00 30.40 C ATOM 1167 NZ LYS A 79 0.764 -7.785 15.534 1.00 30.04 N ATOM 0 H LYS A 79 1.526 -8.656 10.110 1.00 71.24 H new ATOM 0 HA LYS A 79 -0.576 -7.003 11.032 1.00 4.31 H new ATOM 0 HB2 LYS A 79 0.220 -7.531 13.279 1.00 62.00 H new ATOM 0 HB3 LYS A 79 0.073 -8.960 12.276 1.00 62.00 H new ATOM 0 HG2 LYS A 79 2.488 -8.958 11.880 1.00 73.50 H new ATOM 0 HG3 LYS A 79 2.657 -7.492 12.825 1.00 73.50 H new ATOM 0 HD2 LYS A 79 1.459 -10.032 13.996 1.00 2.41 H new ATOM 0 HD3 LYS A 79 3.187 -9.743 13.991 1.00 2.41 H new ATOM 0 HE2 LYS A 79 2.281 -9.108 16.160 1.00 30.40 H new ATOM 0 HE3 LYS A 79 2.860 -7.673 15.337 1.00 30.40 H new ATOM 0 HZ1 LYS A 79 0.592 -7.674 16.554 1.00 30.04 H new ATOM 0 HZ2 LYS A 79 0.763 -6.850 15.079 1.00 30.04 H new ATOM 0 HZ3 LYS A 79 0.014 -8.373 15.118 1.00 30.04 H new ATOM 1181 N SER A 80 2.268 -5.582 10.822 1.00 12.01 N ATOM 1182 CA SER A 80 2.963 -4.329 10.954 1.00 52.54 C ATOM 1183 C SER A 80 2.511 -3.320 9.865 1.00 30.23 C ATOM 1184 O SER A 80 2.943 -2.164 9.851 1.00 12.02 O ATOM 1185 CB SER A 80 4.449 -4.611 10.856 1.00 75.01 C ATOM 1186 OG SER A 80 4.829 -5.627 11.785 1.00 31.50 O ATOM 0 H SER A 80 2.746 -6.271 10.241 1.00 12.01 H new ATOM 0 HA SER A 80 2.732 -3.873 11.917 1.00 52.54 H new ATOM 0 HB2 SER A 80 4.699 -4.925 9.843 1.00 75.01 H new ATOM 0 HB3 SER A 80 5.012 -3.699 11.055 1.00 75.01 H new ATOM 0 HG SER A 80 5.791 -5.798 11.707 1.00 31.50 H new ATOM 1192 N LEU A 81 1.613 -3.766 8.983 1.00 3.03 N ATOM 1193 CA LEU A 81 1.127 -2.948 7.878 1.00 13.32 C ATOM 1194 C LEU A 81 0.313 -1.724 8.364 1.00 31.23 C ATOM 1195 O LEU A 81 0.654 -0.594 8.002 1.00 53.24 O ATOM 1196 CB LEU A 81 0.355 -3.822 6.847 1.00 31.30 C ATOM 1197 CG LEU A 81 -0.163 -3.184 5.541 1.00 53.22 C ATOM 1198 CD1 LEU A 81 -0.580 -4.279 4.618 1.00 22.45 C ATOM 1199 CD2 LEU A 81 -1.371 -2.295 5.768 1.00 61.21 C ATOM 0 H LEU A 81 1.206 -4.701 9.017 1.00 3.03 H new ATOM 0 HA LEU A 81 1.993 -2.531 7.363 1.00 13.32 H new ATOM 0 HB2 LEU A 81 1.007 -4.650 6.569 1.00 31.30 H new ATOM 0 HB3 LEU A 81 -0.504 -4.252 7.363 1.00 31.30 H new ATOM 0 HG LEU A 81 0.642 -2.574 5.131 1.00 53.22 H new ATOM 0 HD11 LEU A 81 -0.950 -3.849 3.687 1.00 22.45 H new ATOM 0 HD12 LEU A 81 0.275 -4.922 4.406 1.00 22.45 H new ATOM 0 HD13 LEU A 81 -1.370 -4.868 5.085 1.00 22.45 H new ATOM 0 HD21 LEU A 81 -1.695 -1.872 4.817 1.00 61.21 H new ATOM 0 HD22 LEU A 81 -2.181 -2.885 6.197 1.00 61.21 H new ATOM 0 HD23 LEU A 81 -1.106 -1.489 6.453 1.00 61.21 H new ATOM 1211 N PRO A 82 -0.766 -1.893 9.212 1.00 42.25 N ATOM 1212 CA PRO A 82 -1.576 -0.748 9.654 1.00 75.31 C ATOM 1213 C PRO A 82 -0.729 0.253 10.425 1.00 72.40 C ATOM 1214 O PRO A 82 -0.959 1.457 10.365 1.00 51.32 O ATOM 1215 CB PRO A 82 -2.648 -1.368 10.560 1.00 54.35 C ATOM 1216 CG PRO A 82 -2.679 -2.811 10.193 1.00 11.54 C ATOM 1217 CD PRO A 82 -1.281 -3.162 9.796 1.00 22.32 C ATOM 0 HA PRO A 82 -2.006 -0.197 8.817 1.00 75.31 H new ATOM 0 HB2 PRO A 82 -2.400 -1.234 11.613 1.00 54.35 H new ATOM 0 HB3 PRO A 82 -3.619 -0.899 10.399 1.00 54.35 H new ATOM 0 HG2 PRO A 82 -3.011 -3.421 11.033 1.00 11.54 H new ATOM 0 HG3 PRO A 82 -3.375 -2.991 9.373 1.00 11.54 H new ATOM 0 HD2 PRO A 82 -0.687 -3.482 10.652 1.00 22.32 H new ATOM 0 HD3 PRO A 82 -1.260 -3.976 9.072 1.00 22.32 H new ATOM 1225 N GLY A 83 0.300 -0.265 11.089 1.00 13.23 N ATOM 1226 CA GLY A 83 1.212 0.552 11.850 1.00 4.35 C ATOM 1227 C GLY A 83 1.935 1.564 10.983 1.00 55.02 C ATOM 1228 O GLY A 83 2.085 2.735 11.380 1.00 54.21 O ATOM 0 H GLY A 83 0.516 -1.262 11.109 1.00 13.23 H new ATOM 0 HA2 GLY A 83 0.662 1.074 12.633 1.00 4.35 H new ATOM 0 HA3 GLY A 83 1.943 -0.087 12.345 1.00 4.35 H new ATOM 1232 N LEU A 84 2.376 1.135 9.794 1.00 33.23 N ATOM 1233 CA LEU A 84 3.064 2.041 8.895 1.00 12.22 C ATOM 1234 C LEU A 84 2.086 3.075 8.368 1.00 52.43 C ATOM 1235 O LEU A 84 2.380 4.258 8.340 1.00 1.43 O ATOM 1236 CB LEU A 84 3.835 1.295 7.753 1.00 24.32 C ATOM 1237 CG LEU A 84 3.029 0.687 6.585 1.00 44.33 C ATOM 1238 CD1 LEU A 84 2.810 1.704 5.457 1.00 73.22 C ATOM 1239 CD2 LEU A 84 3.693 -0.577 6.063 1.00 73.22 C ATOM 0 H LEU A 84 2.267 0.183 9.446 1.00 33.23 H new ATOM 0 HA LEU A 84 3.839 2.560 9.459 1.00 12.22 H new ATOM 0 HB2 LEU A 84 4.554 1.995 7.328 1.00 24.32 H new ATOM 0 HB3 LEU A 84 4.408 0.490 8.213 1.00 24.32 H new ATOM 0 HG LEU A 84 2.047 0.416 6.972 1.00 44.33 H new ATOM 0 HD11 LEU A 84 2.239 1.239 4.653 1.00 73.22 H new ATOM 0 HD12 LEU A 84 2.260 2.562 5.843 1.00 73.22 H new ATOM 0 HD13 LEU A 84 3.775 2.034 5.072 1.00 73.22 H new ATOM 0 HD21 LEU A 84 3.104 -0.984 5.241 1.00 73.22 H new ATOM 0 HD22 LEU A 84 4.697 -0.341 5.709 1.00 73.22 H new ATOM 0 HD23 LEU A 84 3.755 -1.313 6.865 1.00 73.22 H new ATOM 1251 N LEU A 85 0.882 2.624 8.022 1.00 14.22 N ATOM 1252 CA LEU A 85 -0.138 3.515 7.490 1.00 42.01 C ATOM 1253 C LEU A 85 -0.513 4.568 8.512 1.00 24.52 C ATOM 1254 O LEU A 85 -0.698 5.723 8.169 1.00 11.52 O ATOM 1255 CB LEU A 85 -1.379 2.744 7.032 1.00 71.21 C ATOM 1256 CG LEU A 85 -1.187 1.754 5.876 1.00 10.05 C ATOM 1257 CD1 LEU A 85 -2.485 1.042 5.584 1.00 5.25 C ATOM 1258 CD2 LEU A 85 -0.691 2.458 4.618 1.00 12.35 C ATOM 0 H LEU A 85 0.593 1.649 8.101 1.00 14.22 H new ATOM 0 HA LEU A 85 0.283 4.011 6.616 1.00 42.01 H new ATOM 0 HB2 LEU A 85 -1.774 2.196 7.887 1.00 71.21 H new ATOM 0 HB3 LEU A 85 -2.140 3.467 6.738 1.00 71.21 H new ATOM 0 HG LEU A 85 -0.433 1.028 6.179 1.00 10.05 H new ATOM 0 HD11 LEU A 85 -2.339 0.341 4.762 1.00 5.25 H new ATOM 0 HD12 LEU A 85 -2.809 0.498 6.471 1.00 5.25 H new ATOM 0 HD13 LEU A 85 -3.246 1.772 5.308 1.00 5.25 H new ATOM 0 HD21 LEU A 85 -0.565 1.728 3.818 1.00 12.35 H new ATOM 0 HD22 LEU A 85 -1.418 3.211 4.312 1.00 12.35 H new ATOM 0 HD23 LEU A 85 0.265 2.939 4.823 1.00 12.35 H new ATOM 1270 N THR A 86 -0.550 4.163 9.769 1.00 34.02 N ATOM 1271 CA THR A 86 -0.900 5.058 10.873 1.00 0.22 C ATOM 1272 C THR A 86 0.052 6.268 10.956 1.00 23.33 C ATOM 1273 O THR A 86 -0.408 7.424 11.029 1.00 34.41 O ATOM 1274 CB THR A 86 -0.915 4.300 12.231 1.00 31.31 C ATOM 1275 OG1 THR A 86 -1.903 3.264 12.189 1.00 52.45 O ATOM 1276 CG2 THR A 86 -1.226 5.231 13.403 1.00 60.24 C ATOM 0 H THR A 86 -0.340 3.208 10.059 1.00 34.02 H new ATOM 0 HA THR A 86 -1.904 5.430 10.668 1.00 0.22 H new ATOM 0 HB THR A 86 0.079 3.880 12.384 1.00 31.31 H new ATOM 0 HG1 THR A 86 -1.695 2.643 11.460 1.00 52.45 H new ATOM 0 HG21 THR A 86 -1.226 4.660 14.331 1.00 60.24 H new ATOM 0 HG22 THR A 86 -0.468 6.012 13.458 1.00 60.24 H new ATOM 0 HG23 THR A 86 -2.206 5.686 13.256 1.00 60.24 H new ATOM 1284 N ILE A 87 1.360 6.013 10.898 1.00 52.31 N ATOM 1285 CA ILE A 87 2.331 7.089 11.027 1.00 61.24 C ATOM 1286 C ILE A 87 2.280 8.032 9.804 1.00 75.42 C ATOM 1287 O ILE A 87 2.298 9.254 9.958 1.00 23.20 O ATOM 1288 CB ILE A 87 3.789 6.553 11.395 1.00 10.33 C ATOM 1289 CG1 ILE A 87 4.825 7.684 11.690 1.00 63.11 C ATOM 1290 CG2 ILE A 87 4.334 5.581 10.362 1.00 11.45 C ATOM 1291 CD1 ILE A 87 5.360 8.444 10.482 1.00 31.43 C ATOM 0 H ILE A 87 1.762 5.085 10.765 1.00 52.31 H new ATOM 0 HA ILE A 87 2.050 7.702 11.883 1.00 61.24 H new ATOM 0 HB ILE A 87 3.648 6.009 12.329 1.00 10.33 H new ATOM 0 HG12 ILE A 87 4.364 8.402 12.368 1.00 63.11 H new ATOM 0 HG13 ILE A 87 5.670 7.244 12.219 1.00 63.11 H new ATOM 0 HG21 ILE A 87 5.328 5.249 10.663 1.00 11.45 H new ATOM 0 HG22 ILE A 87 3.671 4.719 10.288 1.00 11.45 H new ATOM 0 HG23 ILE A 87 4.395 6.076 9.393 1.00 11.45 H new ATOM 0 HD11 ILE A 87 6.070 9.202 10.814 1.00 31.43 H new ATOM 0 HD12 ILE A 87 5.860 7.749 9.807 1.00 31.43 H new ATOM 0 HD13 ILE A 87 4.533 8.925 9.960 1.00 31.43 H new ATOM 1303 N LEU A 88 2.166 7.478 8.605 1.00 33.03 N ATOM 1304 CA LEU A 88 2.044 8.320 7.417 1.00 72.14 C ATOM 1305 C LEU A 88 0.739 9.083 7.399 1.00 70.42 C ATOM 1306 O LEU A 88 0.687 10.210 6.923 1.00 10.44 O ATOM 1307 CB LEU A 88 2.235 7.584 6.101 1.00 31.35 C ATOM 1308 CG LEU A 88 3.654 7.142 5.723 1.00 15.41 C ATOM 1309 CD1 LEU A 88 4.677 8.261 5.886 1.00 61.42 C ATOM 1310 CD2 LEU A 88 4.060 5.892 6.445 1.00 21.25 C ATOM 0 H LEU A 88 2.155 6.474 8.427 1.00 33.03 H new ATOM 0 HA LEU A 88 2.872 9.024 7.499 1.00 72.14 H new ATOM 0 HB2 LEU A 88 1.603 6.696 6.120 1.00 31.35 H new ATOM 0 HB3 LEU A 88 1.861 8.225 5.303 1.00 31.35 H new ATOM 0 HG LEU A 88 3.633 6.902 4.660 1.00 15.41 H new ATOM 0 HD11 LEU A 88 5.665 7.895 5.605 1.00 61.42 H new ATOM 0 HD12 LEU A 88 4.405 9.099 5.244 1.00 61.42 H new ATOM 0 HD13 LEU A 88 4.694 8.590 6.925 1.00 61.42 H new ATOM 0 HD21 LEU A 88 5.071 5.613 6.149 1.00 21.25 H new ATOM 0 HD22 LEU A 88 4.032 6.068 7.520 1.00 21.25 H new ATOM 0 HD23 LEU A 88 3.372 5.085 6.191 1.00 21.25 H new ATOM 1322 N HIS A 89 -0.314 8.458 7.899 1.00 51.52 N ATOM 1323 CA HIS A 89 -1.633 9.078 7.986 1.00 75.01 C ATOM 1324 C HIS A 89 -1.566 10.293 8.916 1.00 34.04 C ATOM 1325 O HIS A 89 -2.236 11.294 8.691 1.00 1.41 O ATOM 1326 CB HIS A 89 -2.677 8.057 8.495 1.00 13.22 C ATOM 1327 CG HIS A 89 -4.111 8.520 8.436 1.00 43.15 C ATOM 1328 ND1 HIS A 89 -4.782 9.098 9.490 1.00 44.41 N ATOM 1329 CD2 HIS A 89 -5.004 8.455 7.416 1.00 34.32 C ATOM 1330 CE1 HIS A 89 -6.031 9.361 9.091 1.00 23.21 C ATOM 1331 NE2 HIS A 89 -6.220 8.987 7.836 1.00 63.30 N ATOM 0 H HIS A 89 -0.282 7.504 8.258 1.00 51.52 H new ATOM 0 HA HIS A 89 -1.941 9.408 6.994 1.00 75.01 H new ATOM 0 HB2 HIS A 89 -2.583 7.143 7.909 1.00 13.22 H new ATOM 0 HB3 HIS A 89 -2.437 7.800 9.527 1.00 13.22 H new ATOM 0 HD2 HIS A 89 -4.803 8.054 6.434 1.00 34.32 H new ATOM 0 HE1 HIS A 89 -6.787 9.819 9.712 1.00 23.21 H new ATOM 0 HE2 HIS A 89 -7.078 9.071 7.290 1.00 63.30 H new ATOM 1339 N ASP A 90 -0.718 10.202 9.932 1.00 51.11 N ATOM 1340 CA ASP A 90 -0.514 11.302 10.892 1.00 2.22 C ATOM 1341 C ASP A 90 0.168 12.480 10.204 1.00 34.30 C ATOM 1342 O ASP A 90 -0.093 13.641 10.519 1.00 52.34 O ATOM 1343 CB ASP A 90 0.370 10.824 12.053 1.00 14.52 C ATOM 1344 CG ASP A 90 0.635 11.893 13.101 1.00 34.35 C ATOM 1345 OD1 ASP A 90 1.534 12.742 12.914 1.00 33.31 O ATOM 1346 OD2 ASP A 90 -0.025 11.877 14.158 1.00 53.12 O ATOM 0 H ASP A 90 -0.152 9.375 10.121 1.00 51.11 H new ATOM 0 HA ASP A 90 -1.486 11.615 11.273 1.00 2.22 H new ATOM 0 HB2 ASP A 90 -0.106 9.969 12.532 1.00 14.52 H new ATOM 0 HB3 ASP A 90 1.322 10.476 11.653 1.00 14.52 H new ATOM 1351 N GLY A 91 0.996 12.166 9.222 1.00 51.43 N ATOM 1352 CA GLY A 91 1.703 13.188 8.482 1.00 1.14 C ATOM 1353 C GLY A 91 0.957 13.590 7.228 1.00 32.31 C ATOM 1354 O GLY A 91 1.385 14.475 6.500 1.00 33.51 O ATOM 0 H GLY A 91 1.193 11.211 8.922 1.00 51.43 H new ATOM 0 HA2 GLY A 91 1.846 14.063 9.116 1.00 1.14 H new ATOM 0 HA3 GLY A 91 2.694 12.823 8.214 1.00 1.14 H new ATOM 1358 N GLY A 92 -0.141 12.911 6.970 1.00 43.44 N ATOM 1359 CA GLY A 92 -0.970 13.211 5.830 1.00 63.24 C ATOM 1360 C GLY A 92 -0.368 12.777 4.507 1.00 75.44 C ATOM 1361 O GLY A 92 -0.509 13.469 3.510 1.00 73.43 O ATOM 0 H GLY A 92 -0.480 12.139 7.544 1.00 43.44 H new ATOM 0 HA2 GLY A 92 -1.937 12.723 5.957 1.00 63.24 H new ATOM 0 HA3 GLY A 92 -1.156 14.285 5.800 1.00 63.24 H new ATOM 1365 N TYR A 93 0.303 11.655 4.487 1.00 75.24 N ATOM 1366 CA TYR A 93 0.869 11.162 3.247 1.00 2.05 C ATOM 1367 C TYR A 93 -0.088 10.230 2.543 1.00 12.41 C ATOM 1368 O TYR A 93 -0.583 9.263 3.132 1.00 55.15 O ATOM 1369 CB TYR A 93 2.256 10.535 3.447 1.00 32.24 C ATOM 1370 CG TYR A 93 3.346 11.568 3.650 1.00 62.54 C ATOM 1371 CD1 TYR A 93 3.538 12.188 4.878 1.00 12.43 C ATOM 1372 CD2 TYR A 93 4.170 11.938 2.595 1.00 34.14 C ATOM 1373 CE1 TYR A 93 4.517 13.147 5.046 1.00 33.24 C ATOM 1374 CE2 TYR A 93 5.154 12.890 2.757 1.00 10.11 C ATOM 1375 CZ TYR A 93 5.324 13.493 3.984 1.00 44.43 C ATOM 1376 OH TYR A 93 6.303 14.458 4.143 1.00 2.22 O ATOM 0 H TYR A 93 0.473 11.067 5.303 1.00 75.24 H new ATOM 0 HA TYR A 93 1.021 12.022 2.595 1.00 2.05 H new ATOM 0 HB2 TYR A 93 2.227 9.870 4.310 1.00 32.24 H new ATOM 0 HB3 TYR A 93 2.500 9.922 2.580 1.00 32.24 H new ATOM 0 HD1 TYR A 93 2.912 11.916 5.715 1.00 12.43 H new ATOM 0 HD2 TYR A 93 4.038 11.471 1.630 1.00 34.14 H new ATOM 0 HE1 TYR A 93 4.650 13.624 6.006 1.00 33.24 H new ATOM 0 HE2 TYR A 93 5.788 13.162 1.926 1.00 10.11 H new ATOM 0 HH TYR A 93 7.119 14.042 4.492 1.00 2.22 H new ATOM 1386 N ARG A 94 -0.358 10.543 1.289 1.00 75.30 N ATOM 1387 CA ARG A 94 -1.306 9.808 0.456 1.00 4.42 C ATOM 1388 C ARG A 94 -0.764 8.421 0.087 1.00 34.13 C ATOM 1389 O ARG A 94 0.438 8.146 0.224 1.00 23.21 O ATOM 1390 CB ARG A 94 -1.594 10.597 -0.843 1.00 4.34 C ATOM 1391 CG ARG A 94 -0.358 10.746 -1.714 1.00 22.24 C ATOM 1392 CD ARG A 94 -0.586 11.532 -2.988 1.00 74.13 C ATOM 1393 NE ARG A 94 0.634 11.529 -3.817 1.00 42.44 N ATOM 1394 CZ ARG A 94 0.688 11.660 -5.141 1.00 2.41 C ATOM 1395 NH1 ARG A 94 -0.397 11.963 -5.842 1.00 53.22 N ATOM 1396 NH2 ARG A 94 1.850 11.526 -5.749 1.00 63.31 N ATOM 0 H ARG A 94 0.081 11.328 0.808 1.00 75.30 H new ATOM 0 HA ARG A 94 -2.225 9.685 1.030 1.00 4.42 H new ATOM 0 HB2 ARG A 94 -2.375 10.089 -1.408 1.00 4.34 H new ATOM 0 HB3 ARG A 94 -1.977 11.585 -0.588 1.00 4.34 H new ATOM 0 HG2 ARG A 94 0.424 11.235 -1.134 1.00 22.24 H new ATOM 0 HG3 ARG A 94 0.011 9.754 -1.974 1.00 22.24 H new ATOM 0 HD2 ARG A 94 -1.415 11.098 -3.547 1.00 74.13 H new ATOM 0 HD3 ARG A 94 -0.867 12.557 -2.746 1.00 74.13 H new ATOM 0 HE ARG A 94 1.522 11.416 -3.329 1.00 42.44 H new ATOM 0 HH11 ARG A 94 -1.289 12.099 -5.367 1.00 53.22 H new ATOM 0 HH12 ARG A 94 -0.339 12.060 -6.856 1.00 53.22 H new ATOM 0 HH21 ARG A 94 2.690 11.325 -5.206 1.00 63.31 H new ATOM 0 HH22 ARG A 94 1.909 11.623 -6.763 1.00 63.31 H new ATOM 1410 N ASP A 95 -1.647 7.610 -0.474 1.00 74.34 N ATOM 1411 CA ASP A 95 -1.388 6.206 -0.854 1.00 3.13 C ATOM 1412 C ASP A 95 -0.180 6.082 -1.772 1.00 2.21 C ATOM 1413 O ASP A 95 0.692 5.231 -1.563 1.00 31.41 O ATOM 1414 CB ASP A 95 -2.624 5.637 -1.577 1.00 55.04 C ATOM 1415 CG ASP A 95 -2.949 6.408 -2.854 1.00 32.12 C ATOM 1416 OD1 ASP A 95 -3.518 7.521 -2.761 1.00 62.22 O ATOM 1417 OD2 ASP A 95 -2.538 5.971 -3.957 1.00 4.00 O ATOM 0 H ASP A 95 -2.598 7.908 -0.690 1.00 74.34 H new ATOM 0 HA ASP A 95 -1.182 5.647 0.059 1.00 3.13 H new ATOM 0 HB2 ASP A 95 -2.450 4.589 -1.821 1.00 55.04 H new ATOM 0 HB3 ASP A 95 -3.483 5.669 -0.906 1.00 55.04 H new ATOM 1422 N THR A 96 -0.120 6.961 -2.741 1.00 44.15 N ATOM 1423 CA THR A 96 0.892 6.967 -3.729 1.00 20.51 C ATOM 1424 C THR A 96 2.264 7.185 -3.099 1.00 15.00 C ATOM 1425 O THR A 96 3.228 6.515 -3.458 1.00 52.44 O ATOM 1426 CB THR A 96 0.566 8.005 -4.812 1.00 42.23 C ATOM 1427 OG1 THR A 96 -0.800 7.779 -5.279 1.00 22.33 O ATOM 1428 CG2 THR A 96 1.535 7.883 -5.984 1.00 1.30 C ATOM 0 H THR A 96 -0.803 7.710 -2.854 1.00 44.15 H new ATOM 0 HA THR A 96 0.926 5.992 -4.215 1.00 20.51 H new ATOM 0 HB THR A 96 0.662 9.006 -4.392 1.00 42.23 H new ATOM 0 HG1 THR A 96 -1.197 7.034 -4.781 1.00 22.33 H new ATOM 0 HG21 THR A 96 1.287 8.627 -6.740 1.00 1.30 H new ATOM 0 HG22 THR A 96 2.554 8.048 -5.633 1.00 1.30 H new ATOM 0 HG23 THR A 96 1.458 6.886 -6.417 1.00 1.30 H new ATOM 1436 N GLU A 97 2.331 8.086 -2.125 1.00 32.03 N ATOM 1437 CA GLU A 97 3.584 8.361 -1.457 1.00 34.12 C ATOM 1438 C GLU A 97 4.039 7.154 -0.668 1.00 74.42 C ATOM 1439 O GLU A 97 5.220 6.834 -0.671 1.00 2.44 O ATOM 1440 CB GLU A 97 3.507 9.582 -0.535 1.00 63.14 C ATOM 1441 CG GLU A 97 3.127 10.871 -1.230 1.00 53.01 C ATOM 1442 CD GLU A 97 3.988 11.188 -2.419 1.00 32.20 C ATOM 1443 OE1 GLU A 97 5.193 11.450 -2.257 1.00 1.13 O ATOM 1444 OE2 GLU A 97 3.465 11.178 -3.542 1.00 34.13 O ATOM 0 H GLU A 97 1.537 8.630 -1.788 1.00 32.03 H new ATOM 0 HA GLU A 97 4.310 8.587 -2.238 1.00 34.12 H new ATOM 0 HB2 GLU A 97 2.781 9.381 0.253 1.00 63.14 H new ATOM 0 HB3 GLU A 97 4.474 9.717 -0.050 1.00 63.14 H new ATOM 0 HG2 GLU A 97 2.087 10.808 -1.551 1.00 53.01 H new ATOM 0 HG3 GLU A 97 3.191 11.692 -0.516 1.00 53.01 H new ATOM 1451 N ILE A 98 3.082 6.442 -0.044 1.00 31.15 N ATOM 1452 CA ILE A 98 3.423 5.305 0.819 1.00 45.24 C ATOM 1453 C ILE A 98 4.133 4.260 0.000 1.00 62.44 C ATOM 1454 O ILE A 98 5.234 3.858 0.319 1.00 3.22 O ATOM 1455 CB ILE A 98 2.162 4.592 1.403 1.00 43.52 C ATOM 1456 CG1 ILE A 98 1.131 5.562 1.982 1.00 43.02 C ATOM 1457 CG2 ILE A 98 2.565 3.573 2.452 1.00 42.01 C ATOM 1458 CD1 ILE A 98 1.666 6.517 2.997 1.00 52.33 C ATOM 0 H ILE A 98 2.083 6.633 -0.121 1.00 31.15 H new ATOM 0 HA ILE A 98 4.031 5.707 1.630 1.00 45.24 H new ATOM 0 HB ILE A 98 1.682 4.087 0.565 1.00 43.52 H new ATOM 0 HG12 ILE A 98 0.691 6.133 1.164 1.00 43.02 H new ATOM 0 HG13 ILE A 98 0.326 4.985 2.437 1.00 43.02 H new ATOM 0 HG21 ILE A 98 1.674 3.086 2.848 1.00 42.01 H new ATOM 0 HG22 ILE A 98 3.217 2.825 2.001 1.00 42.01 H new ATOM 0 HG23 ILE A 98 3.094 4.075 3.262 1.00 42.01 H new ATOM 0 HD11 ILE A 98 0.861 7.163 3.349 1.00 52.33 H new ATOM 0 HD12 ILE A 98 2.078 5.960 3.838 1.00 52.33 H new ATOM 0 HD13 ILE A 98 2.449 7.126 2.546 1.00 52.33 H new ATOM 1470 N MET A 99 3.535 3.922 -1.122 1.00 70.01 N ATOM 1471 CA MET A 99 4.074 2.899 -1.997 1.00 12.20 C ATOM 1472 C MET A 99 5.284 3.369 -2.781 1.00 53.42 C ATOM 1473 O MET A 99 6.056 2.551 -3.278 1.00 62.05 O ATOM 1474 CB MET A 99 3.004 2.298 -2.917 1.00 3.25 C ATOM 1475 CG MET A 99 2.159 3.299 -3.670 1.00 50.43 C ATOM 1476 SD MET A 99 1.055 2.507 -4.840 1.00 70.45 S ATOM 1477 CE MET A 99 -0.018 3.875 -5.264 1.00 31.52 C ATOM 0 H MET A 99 2.668 4.344 -1.453 1.00 70.01 H new ATOM 0 HA MET A 99 4.421 2.101 -1.340 1.00 12.20 H new ATOM 0 HB2 MET A 99 3.495 1.646 -3.640 1.00 3.25 H new ATOM 0 HB3 MET A 99 2.345 1.670 -2.318 1.00 3.25 H new ATOM 0 HG2 MET A 99 1.575 3.885 -2.961 1.00 50.43 H new ATOM 0 HG3 MET A 99 2.809 3.995 -4.200 1.00 50.43 H new ATOM 0 HE1 MET A 99 -0.706 3.567 -6.051 1.00 31.52 H new ATOM 0 HE2 MET A 99 -0.585 4.179 -4.384 1.00 31.52 H new ATOM 0 HE3 MET A 99 0.583 4.714 -5.615 1.00 31.52 H new ATOM 1487 N ARG A 100 5.462 4.672 -2.852 1.00 3.20 N ATOM 1488 CA ARG A 100 6.551 5.273 -3.590 1.00 53.11 C ATOM 1489 C ARG A 100 7.894 4.841 -2.992 1.00 34.05 C ATOM 1490 O ARG A 100 8.669 4.135 -3.630 1.00 71.32 O ATOM 1491 CB ARG A 100 6.380 6.788 -3.547 1.00 12.03 C ATOM 1492 CG ARG A 100 7.273 7.589 -4.452 1.00 12.11 C ATOM 1493 CD ARG A 100 6.910 9.056 -4.331 1.00 40.52 C ATOM 1494 NE ARG A 100 7.648 9.907 -5.256 1.00 72.23 N ATOM 1495 CZ ARG A 100 7.543 11.243 -5.288 1.00 52.44 C ATOM 1496 NH1 ARG A 100 6.777 11.875 -4.407 1.00 1.21 N ATOM 1497 NH2 ARG A 100 8.202 11.944 -6.207 1.00 32.52 N ATOM 0 H ARG A 100 4.850 5.348 -2.395 1.00 3.20 H new ATOM 0 HA ARG A 100 6.538 4.942 -4.629 1.00 53.11 H new ATOM 0 HB2 ARG A 100 5.345 7.022 -3.795 1.00 12.03 H new ATOM 0 HB3 ARG A 100 6.545 7.121 -2.522 1.00 12.03 H new ATOM 0 HG2 ARG A 100 8.318 7.436 -4.182 1.00 12.11 H new ATOM 0 HG3 ARG A 100 7.159 7.257 -5.484 1.00 12.11 H new ATOM 0 HD2 ARG A 100 5.842 9.176 -4.511 1.00 40.52 H new ATOM 0 HD3 ARG A 100 7.101 9.388 -3.310 1.00 40.52 H new ATOM 0 HE ARG A 100 8.282 9.459 -5.918 1.00 72.23 H new ATOM 0 HH11 ARG A 100 6.266 11.344 -3.702 1.00 1.21 H new ATOM 0 HH12 ARG A 100 6.700 12.892 -4.435 1.00 1.21 H new ATOM 0 HH21 ARG A 100 8.789 11.465 -6.890 1.00 32.52 H new ATOM 0 HH22 ARG A 100 8.120 12.960 -6.229 1.00 32.52 H new ATOM 1511 N TRP A 101 8.153 5.249 -1.769 1.00 74.03 N ATOM 1512 CA TRP A 101 9.381 4.857 -1.078 1.00 22.02 C ATOM 1513 C TRP A 101 9.407 3.376 -0.684 1.00 23.55 C ATOM 1514 O TRP A 101 10.460 2.747 -0.678 1.00 51.54 O ATOM 1515 CB TRP A 101 9.711 5.784 0.115 1.00 14.43 C ATOM 1516 CG TRP A 101 8.555 6.114 1.022 1.00 3.23 C ATOM 1517 CD1 TRP A 101 7.822 7.261 0.998 1.00 31.11 C ATOM 1518 CD2 TRP A 101 8.003 5.314 2.089 1.00 4.54 C ATOM 1519 NE1 TRP A 101 6.857 7.225 1.963 1.00 14.52 N ATOM 1520 CE2 TRP A 101 6.943 6.045 2.641 1.00 73.33 C ATOM 1521 CE3 TRP A 101 8.292 4.052 2.630 1.00 31.34 C ATOM 1522 CZ2 TRP A 101 6.184 5.568 3.690 1.00 20.25 C ATOM 1523 CZ3 TRP A 101 7.531 3.583 3.672 1.00 2.30 C ATOM 1524 CH2 TRP A 101 6.489 4.338 4.192 1.00 14.41 C ATOM 0 H TRP A 101 7.536 5.852 -1.225 1.00 74.03 H new ATOM 0 HA TRP A 101 10.180 4.987 -1.808 1.00 22.02 H new ATOM 0 HB2 TRP A 101 10.494 5.315 0.710 1.00 14.43 H new ATOM 0 HB3 TRP A 101 10.121 6.716 -0.275 1.00 14.43 H new ATOM 0 HD1 TRP A 101 7.981 8.081 0.314 1.00 31.11 H new ATOM 0 HE1 TRP A 101 6.179 7.964 2.148 1.00 14.52 H new ATOM 0 HE3 TRP A 101 9.102 3.458 2.232 1.00 31.34 H new ATOM 0 HZ2 TRP A 101 5.373 6.151 4.101 1.00 20.25 H new ATOM 0 HZ3 TRP A 101 7.746 2.612 4.093 1.00 2.30 H new ATOM 0 HH2 TRP A 101 5.908 3.943 5.012 1.00 14.41 H new ATOM 1535 N LEU A 102 8.241 2.838 -0.385 1.00 64.45 N ATOM 1536 CA LEU A 102 8.090 1.482 0.147 1.00 70.41 C ATOM 1537 C LEU A 102 8.446 0.400 -0.867 1.00 64.21 C ATOM 1538 O LEU A 102 9.079 -0.603 -0.528 1.00 11.42 O ATOM 1539 CB LEU A 102 6.646 1.316 0.601 1.00 55.34 C ATOM 1540 CG LEU A 102 6.228 0.046 1.320 1.00 14.24 C ATOM 1541 CD1 LEU A 102 7.020 -0.144 2.582 1.00 54.24 C ATOM 1542 CD2 LEU A 102 4.766 0.134 1.656 1.00 72.42 C ATOM 0 H LEU A 102 7.355 3.330 -0.503 1.00 64.45 H new ATOM 0 HA LEU A 102 8.786 1.360 0.977 1.00 70.41 H new ATOM 0 HB2 LEU A 102 6.412 2.154 1.257 1.00 55.34 H new ATOM 0 HB3 LEU A 102 6.013 1.415 -0.281 1.00 55.34 H new ATOM 0 HG LEU A 102 6.417 -0.806 0.666 1.00 14.24 H new ATOM 0 HD11 LEU A 102 6.701 -1.061 3.077 1.00 54.24 H new ATOM 0 HD12 LEU A 102 8.080 -0.213 2.339 1.00 54.24 H new ATOM 0 HD13 LEU A 102 6.855 0.704 3.247 1.00 54.24 H new ATOM 0 HD21 LEU A 102 4.456 -0.774 2.173 1.00 72.42 H new ATOM 0 HD22 LEU A 102 4.592 0.996 2.300 1.00 72.42 H new ATOM 0 HD23 LEU A 102 4.188 0.244 0.739 1.00 72.42 H new ATOM 1554 N PHE A 103 8.054 0.594 -2.092 1.00 1.25 N ATOM 1555 CA PHE A 103 8.262 -0.416 -3.108 1.00 33.44 C ATOM 1556 C PHE A 103 9.618 -0.314 -3.792 1.00 71.22 C ATOM 1557 O PHE A 103 10.088 -1.291 -4.391 1.00 30.40 O ATOM 1558 CB PHE A 103 7.137 -0.380 -4.139 1.00 3.13 C ATOM 1559 CG PHE A 103 5.862 -1.068 -3.723 1.00 22.22 C ATOM 1560 CD1 PHE A 103 5.012 -0.537 -2.758 1.00 55.44 C ATOM 1561 CD2 PHE A 103 5.511 -2.253 -4.318 1.00 41.23 C ATOM 1562 CE1 PHE A 103 3.843 -1.189 -2.415 1.00 2.10 C ATOM 1563 CE2 PHE A 103 4.352 -2.898 -3.985 1.00 73.51 C ATOM 1564 CZ PHE A 103 3.515 -2.370 -3.037 1.00 63.34 C ATOM 0 H PHE A 103 7.588 1.440 -2.420 1.00 1.25 H new ATOM 0 HA PHE A 103 8.250 -1.376 -2.593 1.00 33.44 H new ATOM 0 HB2 PHE A 103 6.911 0.661 -4.370 1.00 3.13 H new ATOM 0 HB3 PHE A 103 7.495 -0.840 -5.060 1.00 3.13 H new ATOM 0 HD1 PHE A 103 5.268 0.393 -2.273 1.00 55.44 H new ATOM 0 HD2 PHE A 103 6.162 -2.685 -5.064 1.00 41.23 H new ATOM 0 HE1 PHE A 103 3.190 -0.773 -1.662 1.00 2.10 H new ATOM 0 HE2 PHE A 103 4.095 -3.828 -4.471 1.00 73.51 H new ATOM 0 HZ PHE A 103 2.599 -2.881 -2.779 1.00 63.34 H new ATOM 1574 N THR A 104 10.249 0.814 -3.679 1.00 42.13 N ATOM 1575 CA THR A 104 11.490 1.069 -4.380 1.00 41.00 C ATOM 1576 C THR A 104 12.711 0.450 -3.653 1.00 3.30 C ATOM 1577 O THR A 104 12.880 0.646 -2.455 1.00 51.10 O ATOM 1578 CB THR A 104 11.673 2.588 -4.551 1.00 32.14 C ATOM 1579 OG1 THR A 104 10.518 3.113 -5.239 1.00 32.53 O ATOM 1580 CG2 THR A 104 12.920 2.904 -5.360 1.00 52.23 C ATOM 0 H THR A 104 9.926 1.590 -3.101 1.00 42.13 H new ATOM 0 HA THR A 104 11.432 0.591 -5.358 1.00 41.00 H new ATOM 0 HB THR A 104 11.781 3.043 -3.566 1.00 32.14 H new ATOM 0 HG1 THR A 104 9.847 3.397 -4.583 1.00 32.53 H new ATOM 0 HG21 THR A 104 13.022 3.984 -5.464 1.00 52.23 H new ATOM 0 HG22 THR A 104 13.796 2.504 -4.849 1.00 52.23 H new ATOM 0 HG23 THR A 104 12.837 2.451 -6.348 1.00 52.23 H new ATOM 1588 N PRO A 105 13.542 -0.357 -4.372 1.00 33.40 N ATOM 1589 CA PRO A 105 14.773 -0.932 -3.809 1.00 11.22 C ATOM 1590 C PRO A 105 15.804 0.156 -3.499 1.00 23.31 C ATOM 1591 O PRO A 105 16.070 1.045 -4.333 1.00 2.24 O ATOM 1592 CB PRO A 105 15.299 -1.852 -4.927 1.00 11.20 C ATOM 1593 CG PRO A 105 14.143 -2.045 -5.847 1.00 44.25 C ATOM 1594 CD PRO A 105 13.342 -0.782 -5.768 1.00 2.24 C ATOM 0 HA PRO A 105 14.589 -1.455 -2.870 1.00 11.22 H new ATOM 0 HB2 PRO A 105 16.144 -1.399 -5.445 1.00 11.20 H new ATOM 0 HB3 PRO A 105 15.645 -2.804 -4.524 1.00 11.20 H new ATOM 0 HG2 PRO A 105 14.481 -2.230 -6.866 1.00 44.25 H new ATOM 0 HG3 PRO A 105 13.545 -2.906 -5.548 1.00 44.25 H new ATOM 0 HD2 PRO A 105 13.698 -0.032 -6.474 1.00 2.24 H new ATOM 0 HD3 PRO A 105 12.289 -0.956 -5.991 1.00 2.24 H new ATOM 1602 N ASP A 106 16.372 0.103 -2.320 1.00 62.32 N ATOM 1603 CA ASP A 106 17.331 1.104 -1.904 1.00 54.43 C ATOM 1604 C ASP A 106 18.699 0.498 -1.631 1.00 33.43 C ATOM 1605 O ASP A 106 18.829 -0.382 -0.785 1.00 2.34 O ATOM 1606 CB ASP A 106 16.840 1.848 -0.666 1.00 2.54 C ATOM 1607 CG ASP A 106 17.835 2.881 -0.191 1.00 42.20 C ATOM 1608 OD1 ASP A 106 18.320 3.665 -1.005 1.00 13.33 O ATOM 1609 OD2 ASP A 106 18.113 2.946 1.011 1.00 4.25 O ATOM 0 H ASP A 106 16.188 -0.623 -1.628 1.00 62.32 H new ATOM 0 HA ASP A 106 17.431 1.810 -2.729 1.00 54.43 H new ATOM 0 HB2 ASP A 106 15.891 2.335 -0.889 1.00 2.54 H new ATOM 0 HB3 ASP A 106 16.650 1.133 0.135 1.00 2.54 H new ATOM 1614 N PRO A 107 19.746 0.967 -2.345 1.00 42.34 N ATOM 1615 CA PRO A 107 21.136 0.510 -2.152 1.00 2.51 C ATOM 1616 C PRO A 107 21.639 0.772 -0.730 1.00 53.54 C ATOM 1617 O PRO A 107 22.523 0.073 -0.227 1.00 73.44 O ATOM 1618 CB PRO A 107 21.944 1.369 -3.131 1.00 23.44 C ATOM 1619 CG PRO A 107 20.965 1.848 -4.135 1.00 54.01 C ATOM 1620 CD PRO A 107 19.648 1.957 -3.433 1.00 41.31 C ATOM 0 HA PRO A 107 21.225 -0.564 -2.316 1.00 2.51 H new ATOM 0 HB2 PRO A 107 22.422 2.204 -2.619 1.00 23.44 H new ATOM 0 HB3 PRO A 107 22.737 0.788 -3.602 1.00 23.44 H new ATOM 0 HG2 PRO A 107 21.268 2.813 -4.541 1.00 54.01 H new ATOM 0 HG3 PRO A 107 20.900 1.155 -4.974 1.00 54.01 H new ATOM 0 HD2 PRO A 107 19.483 2.962 -3.045 1.00 41.31 H new ATOM 0 HD3 PRO A 107 18.818 1.734 -4.103 1.00 41.31 H new ATOM 1628 N SER A 108 21.074 1.768 -0.090 1.00 11.43 N ATOM 1629 CA SER A 108 21.457 2.125 1.260 1.00 2.33 C ATOM 1630 C SER A 108 20.679 1.290 2.302 1.00 43.00 C ATOM 1631 O SER A 108 20.866 1.441 3.507 1.00 53.43 O ATOM 1632 CB SER A 108 21.257 3.625 1.467 1.00 1.11 C ATOM 1633 OG SER A 108 22.001 4.366 0.487 1.00 35.30 O ATOM 0 H SER A 108 20.339 2.353 -0.486 1.00 11.43 H new ATOM 0 HA SER A 108 22.513 1.896 1.404 1.00 2.33 H new ATOM 0 HB2 SER A 108 20.198 3.871 1.392 1.00 1.11 H new ATOM 0 HB3 SER A 108 21.580 3.907 2.469 1.00 1.11 H new ATOM 0 HG SER A 108 21.863 5.326 0.629 1.00 35.30 H new ATOM 1639 N LEU A 109 19.810 0.411 1.828 1.00 25.05 N ATOM 1640 CA LEU A 109 19.083 -0.471 2.699 1.00 42.01 C ATOM 1641 C LEU A 109 19.627 -1.878 2.551 1.00 2.01 C ATOM 1642 O LEU A 109 19.731 -2.407 1.436 1.00 73.32 O ATOM 1643 CB LEU A 109 17.581 -0.454 2.395 1.00 43.02 C ATOM 1644 CG LEU A 109 16.705 -1.323 3.308 1.00 11.42 C ATOM 1645 CD1 LEU A 109 16.763 -0.837 4.751 1.00 61.02 C ATOM 1646 CD2 LEU A 109 15.277 -1.351 2.812 1.00 72.23 C ATOM 0 H LEU A 109 19.597 0.297 0.837 1.00 25.05 H new ATOM 0 HA LEU A 109 19.214 -0.126 3.725 1.00 42.01 H new ATOM 0 HB2 LEU A 109 17.228 0.576 2.457 1.00 43.02 H new ATOM 0 HB3 LEU A 109 17.434 -0.779 1.365 1.00 43.02 H new ATOM 0 HG LEU A 109 17.099 -2.339 3.280 1.00 11.42 H new ATOM 0 HD11 LEU A 109 16.133 -1.472 5.374 1.00 61.02 H new ATOM 0 HD12 LEU A 109 17.791 -0.883 5.109 1.00 61.02 H new ATOM 0 HD13 LEU A 109 16.406 0.192 4.803 1.00 61.02 H new ATOM 0 HD21 LEU A 109 14.674 -1.973 3.474 1.00 72.23 H new ATOM 0 HD22 LEU A 109 14.876 -0.338 2.801 1.00 72.23 H new ATOM 0 HD23 LEU A 109 15.250 -1.763 1.803 1.00 72.23 H new ATOM 1658 N THR A 110 19.981 -2.461 3.655 1.00 41.33 N ATOM 1659 CA THR A 110 20.507 -3.792 3.692 1.00 24.03 C ATOM 1660 C THR A 110 19.758 -4.571 4.770 1.00 4.14 C ATOM 1661 O THR A 110 19.838 -4.237 5.956 1.00 73.40 O ATOM 1662 CB THR A 110 22.022 -3.758 3.991 1.00 4.32 C ATOM 1663 OG1 THR A 110 22.674 -2.853 3.065 1.00 41.30 O ATOM 1664 CG2 THR A 110 22.643 -5.144 3.859 1.00 71.20 C ATOM 0 H THR A 110 19.912 -2.018 4.571 1.00 41.33 H new ATOM 0 HA THR A 110 20.371 -4.280 2.727 1.00 24.03 H new ATOM 0 HB THR A 110 22.160 -3.415 5.017 1.00 4.32 H new ATOM 0 HG1 THR A 110 23.635 -2.829 3.254 1.00 41.30 H new ATOM 0 HG21 THR A 110 23.710 -5.087 4.076 1.00 71.20 H new ATOM 0 HG22 THR A 110 22.166 -5.825 4.563 1.00 71.20 H new ATOM 0 HG23 THR A 110 22.498 -5.512 2.843 1.00 71.20 H new ATOM 1672 N ILE A 111 19.015 -5.564 4.360 1.00 41.45 N ATOM 1673 CA ILE A 111 18.174 -6.334 5.264 1.00 71.13 C ATOM 1674 C ILE A 111 18.284 -7.795 4.974 1.00 42.30 C ATOM 1675 O ILE A 111 18.738 -8.188 3.909 1.00 22.44 O ATOM 1676 CB ILE A 111 16.693 -5.934 5.135 1.00 63.13 C ATOM 1677 CG1 ILE A 111 16.287 -5.898 3.650 1.00 0.01 C ATOM 1678 CG2 ILE A 111 16.414 -4.628 5.856 1.00 23.34 C ATOM 1679 CD1 ILE A 111 14.855 -5.529 3.389 1.00 32.24 C ATOM 0 H ILE A 111 18.969 -5.870 3.388 1.00 41.45 H new ATOM 0 HA ILE A 111 18.523 -6.121 6.275 1.00 71.13 H new ATOM 0 HB ILE A 111 16.073 -6.686 5.623 1.00 63.13 H new ATOM 0 HG12 ILE A 111 16.929 -5.187 3.131 1.00 0.01 H new ATOM 0 HG13 ILE A 111 16.479 -6.878 3.213 1.00 0.01 H new ATOM 0 HG21 ILE A 111 15.360 -4.371 5.748 1.00 23.34 H new ATOM 0 HG22 ILE A 111 16.654 -4.738 6.914 1.00 23.34 H new ATOM 0 HG23 ILE A 111 17.027 -3.836 5.425 1.00 23.34 H new ATOM 0 HD11 ILE A 111 14.669 -5.532 2.315 1.00 32.24 H new ATOM 0 HD12 ILE A 111 14.199 -6.252 3.873 1.00 32.24 H new ATOM 0 HD13 ILE A 111 14.657 -4.535 3.789 1.00 32.24 H new ATOM 1805 N VAL A 120 20.870 -8.841 2.477 1.00 24.54 N ATOM 1806 CA VAL A 120 20.917 -8.446 1.103 1.00 62.02 C ATOM 1807 C VAL A 120 20.806 -6.933 1.038 1.00 54.42 C ATOM 1808 O VAL A 120 19.893 -6.336 1.637 1.00 11.31 O ATOM 1809 CB VAL A 120 19.753 -9.092 0.292 1.00 52.24 C ATOM 1810 CG1 VAL A 120 19.821 -8.698 -1.175 1.00 53.54 C ATOM 1811 CG2 VAL A 120 19.772 -10.612 0.430 1.00 21.33 C ATOM 0 HA VAL A 120 21.857 -8.783 0.665 1.00 62.02 H new ATOM 0 HB VAL A 120 18.817 -8.717 0.705 1.00 52.24 H new ATOM 0 HG11 VAL A 120 18.997 -9.163 -1.715 1.00 53.54 H new ATOM 0 HG12 VAL A 120 19.747 -7.614 -1.264 1.00 53.54 H new ATOM 0 HG13 VAL A 120 20.768 -9.034 -1.598 1.00 53.54 H new ATOM 0 HG21 VAL A 120 18.950 -11.040 -0.145 1.00 21.33 H new ATOM 0 HG22 VAL A 120 20.719 -11.000 0.054 1.00 21.33 H new ATOM 0 HG23 VAL A 120 19.660 -10.883 1.480 1.00 21.33 H new ATOM 1821 N SER A 121 21.739 -6.320 0.382 1.00 34.24 N ATOM 1822 CA SER A 121 21.734 -4.904 0.211 1.00 20.23 C ATOM 1823 C SER A 121 20.948 -4.585 -1.064 1.00 65.33 C ATOM 1824 O SER A 121 20.711 -5.492 -1.890 1.00 61.15 O ATOM 1825 CB SER A 121 23.183 -4.402 0.122 1.00 12.13 C ATOM 1826 OG SER A 121 23.275 -3.001 0.366 1.00 33.54 O ATOM 0 H SER A 121 22.531 -6.792 -0.053 1.00 34.24 H new ATOM 0 HA SER A 121 21.259 -4.403 1.055 1.00 20.23 H new ATOM 0 HB2 SER A 121 23.798 -4.938 0.845 1.00 12.13 H new ATOM 0 HB3 SER A 121 23.585 -4.626 -0.866 1.00 12.13 H new ATOM 0 HG SER A 121 23.093 -2.821 1.312 1.00 33.54 H new ATOM 1832 N ASN A 122 20.514 -3.324 -1.201 1.00 20.15 N ATOM 1833 CA ASN A 122 19.737 -2.851 -2.365 1.00 70.55 C ATOM 1834 C ASN A 122 18.369 -3.524 -2.340 1.00 64.13 C ATOM 1835 O ASN A 122 17.852 -4.020 -3.346 1.00 41.12 O ATOM 1836 CB ASN A 122 20.492 -3.133 -3.691 1.00 55.21 C ATOM 1837 CG ASN A 122 19.836 -2.522 -4.925 1.00 54.44 C ATOM 1838 OD1 ASN A 122 19.217 -1.462 -4.860 1.00 22.43 O ATOM 1839 ND2 ASN A 122 19.967 -3.196 -6.047 1.00 2.55 N ATOM 0 H ASN A 122 20.691 -2.598 -0.507 1.00 20.15 H new ATOM 0 HA ASN A 122 19.605 -1.771 -2.307 1.00 70.55 H new ATOM 0 HB2 ASN A 122 21.509 -2.749 -3.606 1.00 55.21 H new ATOM 0 HB3 ASN A 122 20.569 -4.211 -3.830 1.00 55.21 H new ATOM 0 HD21 ASN A 122 19.546 -2.842 -6.906 1.00 2.55 H new ATOM 0 HD22 ASN A 122 20.489 -4.072 -6.058 1.00 2.55 H new ATOM 1846 N ALA A 123 17.788 -3.548 -1.171 1.00 71.43 N ATOM 1847 CA ALA A 123 16.520 -4.174 -0.984 1.00 71.34 C ATOM 1848 C ALA A 123 15.420 -3.139 -0.885 1.00 32.20 C ATOM 1849 O ALA A 123 15.674 -1.972 -0.591 1.00 14.24 O ATOM 1850 CB ALA A 123 16.552 -5.051 0.239 1.00 63.31 C ATOM 0 H ALA A 123 18.184 -3.134 -0.327 1.00 71.43 H new ATOM 0 HA ALA A 123 16.307 -4.800 -1.850 1.00 71.34 H new ATOM 0 HB1 ALA A 123 15.579 -5.524 0.373 1.00 63.31 H new ATOM 0 HB2 ALA A 123 17.315 -5.819 0.116 1.00 63.31 H new ATOM 0 HB3 ALA A 123 16.785 -4.445 1.115 1.00 63.31 H new ATOM 1856 N ARG A 124 14.219 -3.562 -1.161 1.00 63.31 N ATOM 1857 CA ARG A 124 13.057 -2.702 -1.106 1.00 53.51 C ATOM 1858 C ARG A 124 12.380 -2.860 0.260 1.00 40.52 C ATOM 1859 O ARG A 124 12.296 -3.970 0.774 1.00 1.40 O ATOM 1860 CB ARG A 124 12.098 -3.069 -2.267 1.00 11.11 C ATOM 1861 CG ARG A 124 11.564 -4.494 -2.210 1.00 60.53 C ATOM 1862 CD ARG A 124 11.027 -4.978 -3.551 1.00 11.02 C ATOM 1863 NE ARG A 124 9.914 -4.186 -4.088 1.00 41.31 N ATOM 1864 CZ ARG A 124 8.778 -4.739 -4.560 1.00 41.53 C ATOM 1865 NH1 ARG A 124 8.460 -5.995 -4.268 1.00 22.51 N ATOM 1866 NH2 ARG A 124 7.941 -4.034 -5.284 1.00 2.02 N ATOM 0 H ARG A 124 14.010 -4.522 -1.434 1.00 63.31 H new ATOM 0 HA ARG A 124 13.345 -1.657 -1.222 1.00 53.51 H new ATOM 0 HB2 ARG A 124 11.256 -2.377 -2.260 1.00 11.11 H new ATOM 0 HB3 ARG A 124 12.620 -2.926 -3.213 1.00 11.11 H new ATOM 0 HG2 ARG A 124 12.359 -5.162 -1.880 1.00 60.53 H new ATOM 0 HG3 ARG A 124 10.771 -4.550 -1.465 1.00 60.53 H new ATOM 0 HD2 ARG A 124 11.841 -4.974 -4.276 1.00 11.02 H new ATOM 0 HD3 ARG A 124 10.701 -6.013 -3.444 1.00 11.02 H new ATOM 0 HE ARG A 124 10.004 -3.170 -4.105 1.00 41.31 H new ATOM 0 HH11 ARG A 124 9.078 -6.554 -3.680 1.00 22.51 H new ATOM 0 HH12 ARG A 124 7.598 -6.401 -4.632 1.00 22.51 H new ATOM 0 HH21 ARG A 124 8.147 -3.057 -5.495 1.00 2.02 H new ATOM 0 HH22 ARG A 124 7.085 -4.463 -5.636 1.00 2.02 H new ATOM 1880 N PRO A 125 11.933 -1.758 0.883 1.00 55.14 N ATOM 1881 CA PRO A 125 11.244 -1.779 2.196 1.00 3.11 C ATOM 1882 C PRO A 125 10.067 -2.798 2.300 1.00 13.23 C ATOM 1883 O PRO A 125 9.748 -3.273 3.397 1.00 74.13 O ATOM 1884 CB PRO A 125 10.750 -0.344 2.336 1.00 32.33 C ATOM 1885 CG PRO A 125 11.763 0.453 1.616 1.00 20.41 C ATOM 1886 CD PRO A 125 12.124 -0.365 0.409 1.00 23.20 C ATOM 0 HA PRO A 125 11.914 -2.109 2.990 1.00 3.11 H new ATOM 0 HB2 PRO A 125 9.759 -0.218 1.900 1.00 32.33 H new ATOM 0 HB3 PRO A 125 10.678 -0.047 3.382 1.00 32.33 H new ATOM 0 HG2 PRO A 125 11.366 1.426 1.327 1.00 20.41 H new ATOM 0 HG3 PRO A 125 12.636 0.638 2.242 1.00 20.41 H new ATOM 0 HD2 PRO A 125 11.481 -0.136 -0.441 1.00 23.20 H new ATOM 0 HD3 PRO A 125 13.151 -0.184 0.091 1.00 23.20 H new ATOM 1894 N VAL A 126 9.440 -3.139 1.167 1.00 45.03 N ATOM 1895 CA VAL A 126 8.385 -4.176 1.142 1.00 60.03 C ATOM 1896 C VAL A 126 8.951 -5.522 1.613 1.00 3.23 C ATOM 1897 O VAL A 126 8.328 -6.246 2.390 1.00 12.21 O ATOM 1898 CB VAL A 126 7.773 -4.349 -0.283 1.00 31.33 C ATOM 1899 CG1 VAL A 126 6.763 -5.487 -0.317 1.00 73.35 C ATOM 1900 CG2 VAL A 126 7.104 -3.074 -0.726 1.00 3.22 C ATOM 0 H VAL A 126 9.638 -2.719 0.259 1.00 45.03 H new ATOM 0 HA VAL A 126 7.595 -3.847 1.817 1.00 60.03 H new ATOM 0 HB VAL A 126 8.590 -4.588 -0.964 1.00 31.33 H new ATOM 0 HG11 VAL A 126 6.355 -5.581 -1.323 1.00 73.35 H new ATOM 0 HG12 VAL A 126 7.255 -6.418 -0.036 1.00 73.35 H new ATOM 0 HG13 VAL A 126 5.955 -5.277 0.384 1.00 73.35 H new ATOM 0 HG21 VAL A 126 6.682 -3.211 -1.722 1.00 3.22 H new ATOM 0 HG22 VAL A 126 6.308 -2.819 -0.027 1.00 3.22 H new ATOM 0 HG23 VAL A 126 7.837 -2.268 -0.751 1.00 3.22 H new ATOM 1910 N ASP A 127 10.161 -5.799 1.190 1.00 55.30 N ATOM 1911 CA ASP A 127 10.855 -7.039 1.521 1.00 2.40 C ATOM 1912 C ASP A 127 11.142 -7.083 3.023 1.00 64.33 C ATOM 1913 O ASP A 127 11.051 -8.129 3.658 1.00 15.45 O ATOM 1914 CB ASP A 127 12.145 -7.126 0.686 1.00 44.42 C ATOM 1915 CG ASP A 127 12.975 -8.364 0.920 1.00 61.30 C ATOM 1916 OD1 ASP A 127 12.443 -9.484 0.792 1.00 42.51 O ATOM 1917 OD2 ASP A 127 14.198 -8.229 1.131 1.00 22.43 O ATOM 0 H ASP A 127 10.705 -5.169 0.600 1.00 55.30 H new ATOM 0 HA ASP A 127 10.234 -7.902 1.281 1.00 2.40 H new ATOM 0 HB2 ASP A 127 11.880 -7.079 -0.370 1.00 44.42 H new ATOM 0 HB3 ASP A 127 12.758 -6.250 0.900 1.00 44.42 H new ATOM 1922 N ALA A 128 11.388 -5.903 3.589 1.00 52.02 N ATOM 1923 CA ALA A 128 11.650 -5.753 5.014 1.00 25.11 C ATOM 1924 C ALA A 128 10.402 -6.021 5.840 1.00 41.55 C ATOM 1925 O ALA A 128 10.443 -6.775 6.799 1.00 51.33 O ATOM 1926 CB ALA A 128 12.176 -4.358 5.327 1.00 4.41 C ATOM 0 H ALA A 128 11.411 -5.025 3.070 1.00 52.02 H new ATOM 0 HA ALA A 128 12.408 -6.489 5.280 1.00 25.11 H new ATOM 0 HB1 ALA A 128 12.364 -4.272 6.397 1.00 4.41 H new ATOM 0 HB2 ALA A 128 13.104 -4.188 4.781 1.00 4.41 H new ATOM 0 HB3 ALA A 128 11.437 -3.615 5.027 1.00 4.41 H new ATOM 1932 N LEU A 129 9.283 -5.422 5.456 1.00 22.35 N ATOM 1933 CA LEU A 129 8.040 -5.574 6.220 1.00 64.13 C ATOM 1934 C LEU A 129 7.556 -7.011 6.164 1.00 43.02 C ATOM 1935 O LEU A 129 7.044 -7.548 7.149 1.00 70.53 O ATOM 1936 CB LEU A 129 6.963 -4.567 5.749 1.00 32.23 C ATOM 1937 CG LEU A 129 6.400 -4.746 4.335 1.00 1.14 C ATOM 1938 CD1 LEU A 129 5.236 -5.725 4.315 1.00 31.44 C ATOM 1939 CD2 LEU A 129 6.006 -3.420 3.734 1.00 65.50 C ATOM 0 H LEU A 129 9.204 -4.830 4.629 1.00 22.35 H new ATOM 0 HA LEU A 129 8.243 -5.340 7.265 1.00 64.13 H new ATOM 0 HB2 LEU A 129 6.130 -4.611 6.451 1.00 32.23 H new ATOM 0 HB3 LEU A 129 7.386 -3.565 5.819 1.00 32.23 H new ATOM 0 HG LEU A 129 7.193 -5.170 3.720 1.00 1.14 H new ATOM 0 HD11 LEU A 129 4.863 -5.826 3.296 1.00 31.44 H new ATOM 0 HD12 LEU A 129 5.572 -6.697 4.677 1.00 31.44 H new ATOM 0 HD13 LEU A 129 4.438 -5.354 4.958 1.00 31.44 H new ATOM 0 HD21 LEU A 129 5.610 -3.578 2.731 1.00 65.50 H new ATOM 0 HD22 LEU A 129 5.243 -2.951 4.355 1.00 65.50 H new ATOM 0 HD23 LEU A 129 6.880 -2.771 3.681 1.00 65.50 H new ATOM 1951 N HIS A 130 7.790 -7.641 5.024 1.00 22.13 N ATOM 1952 CA HIS A 130 7.422 -9.020 4.796 1.00 70.22 C ATOM 1953 C HIS A 130 8.257 -9.913 5.709 1.00 51.32 C ATOM 1954 O HIS A 130 7.790 -10.927 6.217 1.00 55.51 O ATOM 1955 CB HIS A 130 7.660 -9.363 3.313 1.00 54.40 C ATOM 1956 CG HIS A 130 7.256 -10.745 2.918 1.00 0.35 C ATOM 1957 ND1 HIS A 130 8.142 -11.719 2.511 1.00 71.03 N ATOM 1958 CD2 HIS A 130 6.026 -11.306 2.852 1.00 53.54 C ATOM 1959 CE1 HIS A 130 7.441 -12.810 2.221 1.00 31.32 C ATOM 1960 NE2 HIS A 130 6.149 -12.613 2.410 1.00 55.41 N ATOM 0 H HIS A 130 8.246 -7.200 4.225 1.00 22.13 H new ATOM 0 HA HIS A 130 6.368 -9.181 5.024 1.00 70.22 H new ATOM 0 HB2 HIS A 130 7.113 -8.649 2.697 1.00 54.40 H new ATOM 0 HB3 HIS A 130 8.719 -9.231 3.089 1.00 54.40 H new ATOM 0 HD2 HIS A 130 5.098 -10.814 3.103 1.00 53.54 H new ATOM 0 HE1 HIS A 130 7.872 -13.738 1.875 1.00 31.32 H new ATOM 0 HE2 HIS A 130 5.396 -13.285 2.261 1.00 55.41 H new ATOM 1968 N ALA A 131 9.466 -9.471 5.966 1.00 65.32 N ATOM 1969 CA ALA A 131 10.405 -10.200 6.811 1.00 33.11 C ATOM 1970 C ALA A 131 10.302 -9.754 8.283 1.00 31.00 C ATOM 1971 O ALA A 131 11.171 -10.072 9.097 1.00 22.30 O ATOM 1972 CB ALA A 131 11.821 -10.012 6.289 1.00 5.32 C ATOM 0 H ALA A 131 9.835 -8.594 5.598 1.00 65.32 H new ATOM 0 HA ALA A 131 10.149 -11.259 6.774 1.00 33.11 H new ATOM 0 HB1 ALA A 131 12.518 -10.559 6.924 1.00 5.32 H new ATOM 0 HB2 ALA A 131 11.886 -10.390 5.269 1.00 5.32 H new ATOM 0 HB3 ALA A 131 12.075 -8.952 6.300 1.00 5.32 H new ATOM 1978 N HIS A 132 9.228 -9.011 8.602 1.00 33.44 N ATOM 1979 CA HIS A 132 8.921 -8.515 9.974 1.00 21.43 C ATOM 1980 C HIS A 132 10.010 -7.508 10.452 1.00 2.12 C ATOM 1981 O HIS A 132 10.227 -7.290 11.631 1.00 14.21 O ATOM 1982 CB HIS A 132 8.754 -9.723 10.954 1.00 74.11 C ATOM 1983 CG HIS A 132 8.205 -9.386 12.322 1.00 21.41 C ATOM 1984 ND1 HIS A 132 8.970 -9.336 13.466 1.00 23.30 N ATOM 1985 CD2 HIS A 132 6.935 -9.107 12.713 1.00 33.04 C ATOM 1986 CE1 HIS A 132 8.172 -9.041 14.494 1.00 54.42 C ATOM 1987 NE2 HIS A 132 6.916 -8.890 14.092 1.00 74.12 N ATOM 0 H HIS A 132 8.533 -8.729 7.911 1.00 33.44 H new ATOM 0 HA HIS A 132 7.976 -7.972 9.959 1.00 21.43 H new ATOM 0 HB2 HIS A 132 8.095 -10.456 10.489 1.00 74.11 H new ATOM 0 HB3 HIS A 132 9.725 -10.202 11.080 1.00 74.11 H new ATOM 0 HD2 HIS A 132 6.076 -9.060 12.061 1.00 33.04 H new ATOM 0 HE1 HIS A 132 8.504 -8.939 15.517 1.00 54.42 H new ATOM 0 HE2 HIS A 132 6.107 -8.663 14.670 1.00 74.12 H new ATOM 1995 N GLN A 133 10.616 -6.841 9.505 1.00 22.03 N ATOM 1996 CA GLN A 133 11.652 -5.835 9.754 1.00 22.53 C ATOM 1997 C GLN A 133 11.095 -4.468 9.439 1.00 52.31 C ATOM 1998 O GLN A 133 11.819 -3.494 9.187 1.00 74.33 O ATOM 1999 CB GLN A 133 12.886 -6.157 8.940 1.00 63.14 C ATOM 2000 CG GLN A 133 13.502 -7.461 9.381 1.00 22.12 C ATOM 2001 CD GLN A 133 14.517 -7.994 8.432 1.00 74.32 C ATOM 2002 OE1 GLN A 133 15.223 -7.260 7.746 1.00 53.15 O ATOM 2003 NE2 GLN A 133 14.583 -9.279 8.369 1.00 64.25 N ATOM 0 H GLN A 133 10.410 -6.974 8.515 1.00 22.03 H new ATOM 0 HA GLN A 133 11.950 -5.842 10.802 1.00 22.53 H new ATOM 0 HB2 GLN A 133 12.624 -6.214 7.884 1.00 63.14 H new ATOM 0 HB3 GLN A 133 13.615 -5.353 9.045 1.00 63.14 H new ATOM 0 HG2 GLN A 133 13.968 -7.321 10.357 1.00 22.12 H new ATOM 0 HG3 GLN A 133 12.712 -8.201 9.508 1.00 22.12 H new ATOM 0 HE21 GLN A 133 13.977 -9.850 8.958 1.00 64.25 H new ATOM 0 HE22 GLN A 133 15.241 -9.725 7.730 1.00 64.25 H new ATOM 2012 N ALA A 134 9.772 -4.419 9.517 1.00 74.23 N ATOM 2013 CA ALA A 134 8.948 -3.242 9.286 1.00 75.01 C ATOM 2014 C ALA A 134 9.395 -2.055 10.126 1.00 62.44 C ATOM 2015 O ALA A 134 9.136 -0.927 9.772 1.00 53.11 O ATOM 2016 CB ALA A 134 7.486 -3.550 9.510 1.00 73.44 C ATOM 0 H ALA A 134 9.217 -5.241 9.755 1.00 74.23 H new ATOM 0 HA ALA A 134 9.079 -2.959 8.241 1.00 75.01 H new ATOM 0 HB1 ALA A 134 6.894 -2.653 9.330 1.00 73.44 H new ATOM 0 HB2 ALA A 134 7.171 -4.336 8.824 1.00 73.44 H new ATOM 0 HB3 ALA A 134 7.338 -3.883 10.537 1.00 73.44 H new ATOM 2022 N ARG A 135 10.040 -2.330 11.253 1.00 0.45 N ATOM 2023 CA ARG A 135 10.545 -1.293 12.155 1.00 53.22 C ATOM 2024 C ARG A 135 11.451 -0.306 11.415 1.00 21.03 C ATOM 2025 O ARG A 135 11.360 0.900 11.645 1.00 60.12 O ATOM 2026 CB ARG A 135 11.346 -1.929 13.290 1.00 53.35 C ATOM 2027 CG ARG A 135 10.555 -2.856 14.176 1.00 54.24 C ATOM 2028 CD ARG A 135 9.476 -2.115 14.925 1.00 45.41 C ATOM 2029 NE ARG A 135 8.709 -3.000 15.784 1.00 15.21 N ATOM 2030 CZ ARG A 135 7.817 -2.607 16.686 1.00 32.03 C ATOM 2031 NH1 ARG A 135 7.545 -1.308 16.853 1.00 22.53 N ATOM 2032 NH2 ARG A 135 7.198 -3.507 17.423 1.00 3.33 N ATOM 0 H ARG A 135 10.230 -3.280 11.571 1.00 0.45 H new ATOM 0 HA ARG A 135 9.683 -0.757 12.553 1.00 53.22 H new ATOM 0 HB2 ARG A 135 12.181 -2.483 12.861 1.00 53.35 H new ATOM 0 HB3 ARG A 135 11.772 -1.136 13.905 1.00 53.35 H new ATOM 0 HG2 ARG A 135 10.105 -3.643 13.571 1.00 54.24 H new ATOM 0 HG3 ARG A 135 11.224 -3.342 14.886 1.00 54.24 H new ATOM 0 HD2 ARG A 135 9.928 -1.326 15.527 1.00 45.41 H new ATOM 0 HD3 ARG A 135 8.808 -1.630 14.214 1.00 45.41 H new ATOM 0 HE ARG A 135 8.868 -4.003 15.687 1.00 15.21 H new ATOM 0 HH11 ARG A 135 8.024 -0.609 16.285 1.00 22.53 H new ATOM 0 HH12 ARG A 135 6.858 -1.016 17.548 1.00 22.53 H new ATOM 0 HH21 ARG A 135 7.405 -4.498 17.299 1.00 3.33 H new ATOM 0 HH22 ARG A 135 6.512 -3.213 18.118 1.00 3.33 H new ATOM 2046 N GLU A 136 12.290 -0.807 10.501 1.00 52.40 N ATOM 2047 CA GLU A 136 13.161 0.068 9.714 1.00 2.51 C ATOM 2048 C GLU A 136 12.348 0.831 8.671 1.00 32.15 C ATOM 2049 O GLU A 136 12.682 1.952 8.299 1.00 24.51 O ATOM 2050 CB GLU A 136 14.292 -0.713 9.042 1.00 72.40 C ATOM 2051 CG GLU A 136 15.293 -1.328 10.012 1.00 74.21 C ATOM 2052 CD GLU A 136 15.966 -0.295 10.893 1.00 42.20 C ATOM 2053 OE1 GLU A 136 16.794 0.498 10.400 1.00 62.33 O ATOM 2054 OE2 GLU A 136 15.707 -0.277 12.111 1.00 62.14 O ATOM 0 H GLU A 136 12.383 -1.801 10.291 1.00 52.40 H new ATOM 0 HA GLU A 136 13.616 0.782 10.400 1.00 2.51 H new ATOM 0 HB2 GLU A 136 13.858 -1.507 8.434 1.00 72.40 H new ATOM 0 HB3 GLU A 136 14.824 -0.047 8.363 1.00 72.40 H new ATOM 0 HG2 GLU A 136 14.782 -2.058 10.640 1.00 74.21 H new ATOM 0 HG3 GLU A 136 16.053 -1.869 9.448 1.00 74.21 H new ATOM 2061 N VAL A 137 11.261 0.224 8.241 1.00 23.42 N ATOM 2062 CA VAL A 137 10.356 0.837 7.283 1.00 61.24 C ATOM 2063 C VAL A 137 9.651 2.013 7.954 1.00 24.05 C ATOM 2064 O VAL A 137 9.632 3.113 7.427 1.00 43.32 O ATOM 2065 CB VAL A 137 9.300 -0.177 6.770 1.00 4.11 C ATOM 2066 CG1 VAL A 137 8.357 0.469 5.773 1.00 31.22 C ATOM 2067 CG2 VAL A 137 9.978 -1.390 6.155 1.00 31.50 C ATOM 0 H VAL A 137 10.978 -0.708 8.544 1.00 23.42 H new ATOM 0 HA VAL A 137 10.936 1.178 6.426 1.00 61.24 H new ATOM 0 HB VAL A 137 8.709 -0.506 7.625 1.00 4.11 H new ATOM 0 HG11 VAL A 137 7.629 -0.267 5.432 1.00 31.22 H new ATOM 0 HG12 VAL A 137 7.837 1.300 6.250 1.00 31.22 H new ATOM 0 HG13 VAL A 137 8.926 0.838 4.920 1.00 31.22 H new ATOM 0 HG21 VAL A 137 9.221 -2.090 5.801 1.00 31.50 H new ATOM 0 HG22 VAL A 137 10.600 -1.074 5.317 1.00 31.50 H new ATOM 0 HG23 VAL A 137 10.601 -1.878 6.905 1.00 31.50 H new ATOM 2077 N VAL A 138 9.120 1.760 9.140 1.00 55.25 N ATOM 2078 CA VAL A 138 8.471 2.773 9.966 1.00 44.00 C ATOM 2079 C VAL A 138 9.465 3.882 10.300 1.00 41.04 C ATOM 2080 O VAL A 138 9.136 5.058 10.257 1.00 2.11 O ATOM 2081 CB VAL A 138 7.860 2.157 11.260 1.00 61.41 C ATOM 2082 CG1 VAL A 138 7.244 3.231 12.153 1.00 43.31 C ATOM 2083 CG2 VAL A 138 6.802 1.125 10.888 1.00 33.24 C ATOM 0 H VAL A 138 9.127 0.832 9.564 1.00 55.25 H new ATOM 0 HA VAL A 138 7.644 3.199 9.398 1.00 44.00 H new ATOM 0 HB VAL A 138 8.664 1.676 11.818 1.00 61.41 H new ATOM 0 HG11 VAL A 138 6.827 2.766 13.046 1.00 43.31 H new ATOM 0 HG12 VAL A 138 8.012 3.949 12.442 1.00 43.31 H new ATOM 0 HG13 VAL A 138 6.452 3.746 11.609 1.00 43.31 H new ATOM 0 HG21 VAL A 138 6.377 0.696 11.796 1.00 33.24 H new ATOM 0 HG22 VAL A 138 6.013 1.605 10.309 1.00 33.24 H new ATOM 0 HG23 VAL A 138 7.258 0.334 10.293 1.00 33.24 H new ATOM 2093 N ARG A 139 10.682 3.482 10.601 1.00 73.43 N ATOM 2094 CA ARG A 139 11.778 4.395 10.895 1.00 73.34 C ATOM 2095 C ARG A 139 11.983 5.361 9.703 1.00 42.43 C ATOM 2096 O ARG A 139 12.079 6.581 9.886 1.00 22.45 O ATOM 2097 CB ARG A 139 13.033 3.560 11.132 1.00 73.22 C ATOM 2098 CG ARG A 139 14.219 4.295 11.692 1.00 52.41 C ATOM 2099 CD ARG A 139 15.366 3.322 11.894 1.00 32.53 C ATOM 2100 NE ARG A 139 16.474 3.902 12.650 1.00 21.01 N ATOM 2101 CZ ARG A 139 17.556 3.227 13.050 1.00 52.32 C ATOM 2102 NH1 ARG A 139 17.768 1.979 12.621 1.00 42.31 N ATOM 2103 NH2 ARG A 139 18.444 3.812 13.860 1.00 50.05 N ATOM 0 H ARG A 139 10.947 2.498 10.650 1.00 73.43 H new ATOM 0 HA ARG A 139 11.559 4.991 11.781 1.00 73.34 H new ATOM 0 HB2 ARG A 139 12.781 2.747 11.812 1.00 73.22 H new ATOM 0 HB3 ARG A 139 13.326 3.105 10.186 1.00 73.22 H new ATOM 0 HG2 ARG A 139 14.520 5.093 11.013 1.00 52.41 H new ATOM 0 HG3 ARG A 139 13.955 4.765 12.639 1.00 52.41 H new ATOM 0 HD2 ARG A 139 14.999 2.438 12.416 1.00 32.53 H new ATOM 0 HD3 ARG A 139 15.730 2.990 10.922 1.00 32.53 H new ATOM 0 HE ARG A 139 16.418 4.892 12.889 1.00 21.01 H new ATOM 0 HH11 ARG A 139 17.103 1.538 11.986 1.00 42.31 H new ATOM 0 HH12 ARG A 139 18.595 1.468 12.929 1.00 42.31 H new ATOM 0 HH21 ARG A 139 18.295 4.772 14.172 1.00 50.05 H new ATOM 0 HH22 ARG A 139 19.270 3.299 14.166 1.00 50.05 H new ATOM 2117 N ARG A 140 12.002 4.807 8.489 1.00 33.01 N ATOM 2118 CA ARG A 140 12.106 5.614 7.269 1.00 71.51 C ATOM 2119 C ARG A 140 10.853 6.423 7.021 1.00 14.11 C ATOM 2120 O ARG A 140 10.916 7.549 6.545 1.00 70.21 O ATOM 2121 CB ARG A 140 12.410 4.766 6.057 1.00 44.13 C ATOM 2122 CG ARG A 140 13.809 4.240 6.032 1.00 40.10 C ATOM 2123 CD ARG A 140 14.050 3.472 4.773 1.00 44.54 C ATOM 2124 NE ARG A 140 15.440 3.074 4.653 1.00 5.41 N ATOM 2125 CZ ARG A 140 16.108 3.004 3.507 1.00 44.43 C ATOM 2126 NH1 ARG A 140 15.489 3.200 2.348 1.00 74.20 N ATOM 2127 NH2 ARG A 140 17.399 2.738 3.515 1.00 75.11 N ATOM 0 H ARG A 140 11.947 3.802 8.323 1.00 33.01 H new ATOM 0 HA ARG A 140 12.937 6.301 7.429 1.00 71.51 H new ATOM 0 HB2 ARG A 140 11.715 3.927 6.027 1.00 44.13 H new ATOM 0 HB3 ARG A 140 12.236 5.357 5.158 1.00 44.13 H new ATOM 0 HG2 ARG A 140 14.517 5.066 6.104 1.00 40.10 H new ATOM 0 HG3 ARG A 140 13.979 3.598 6.896 1.00 40.10 H new ATOM 0 HD2 ARG A 140 13.414 2.587 4.758 1.00 44.54 H new ATOM 0 HD3 ARG A 140 13.769 4.081 3.914 1.00 44.54 H new ATOM 0 HE ARG A 140 15.939 2.831 5.509 1.00 5.41 H new ATOM 0 HH11 ARG A 140 14.490 3.407 2.332 1.00 74.20 H new ATOM 0 HH12 ARG A 140 16.012 3.144 1.474 1.00 74.20 H new ATOM 0 HH21 ARG A 140 17.883 2.586 4.400 1.00 75.11 H new ATOM 0 HH22 ARG A 140 17.914 2.684 2.636 1.00 75.11 H new ATOM 2141 N ALA A 141 9.719 5.843 7.341 1.00 53.21 N ATOM 2142 CA ALA A 141 8.440 6.505 7.216 1.00 3.55 C ATOM 2143 C ALA A 141 8.435 7.771 8.061 1.00 30.52 C ATOM 2144 O ALA A 141 7.987 8.819 7.616 1.00 43.14 O ATOM 2145 CB ALA A 141 7.327 5.579 7.658 1.00 22.24 C ATOM 0 H ALA A 141 9.658 4.890 7.699 1.00 53.21 H new ATOM 0 HA ALA A 141 8.276 6.771 6.172 1.00 3.55 H new ATOM 0 HB1 ALA A 141 6.369 6.089 7.559 1.00 22.24 H new ATOM 0 HB2 ALA A 141 7.328 4.685 7.034 1.00 22.24 H new ATOM 0 HB3 ALA A 141 7.482 5.295 8.699 1.00 22.24 H new ATOM 2151 N GLN A 142 8.977 7.660 9.268 1.00 52.42 N ATOM 2152 CA GLN A 142 9.110 8.783 10.187 1.00 74.42 C ATOM 2153 C GLN A 142 10.023 9.850 9.595 1.00 61.45 C ATOM 2154 O GLN A 142 9.767 11.050 9.735 1.00 4.02 O ATOM 2155 CB GLN A 142 9.640 8.312 11.550 1.00 61.33 C ATOM 2156 CG GLN A 142 8.685 7.383 12.300 1.00 61.34 C ATOM 2157 CD GLN A 142 9.257 6.834 13.600 1.00 62.15 C ATOM 2158 OE1 GLN A 142 10.468 6.632 13.740 1.00 63.14 O ATOM 2159 NE2 GLN A 142 8.404 6.570 14.551 1.00 43.24 N ATOM 0 H GLN A 142 9.339 6.781 9.639 1.00 52.42 H new ATOM 0 HA GLN A 142 8.123 9.219 10.340 1.00 74.42 H new ATOM 0 HB2 GLN A 142 10.589 7.798 11.401 1.00 61.33 H new ATOM 0 HB3 GLN A 142 9.844 9.185 12.170 1.00 61.33 H new ATOM 0 HG2 GLN A 142 7.764 7.923 12.519 1.00 61.34 H new ATOM 0 HG3 GLN A 142 8.419 6.549 11.650 1.00 61.34 H new ATOM 0 HE21 GLN A 142 7.410 6.747 14.408 1.00 43.24 H new ATOM 0 HE22 GLN A 142 8.731 6.187 15.438 1.00 43.24 H new ATOM 2168 N ALA A 143 11.065 9.411 8.904 1.00 35.44 N ATOM 2169 CA ALA A 143 12.013 10.312 8.260 1.00 45.31 C ATOM 2170 C ALA A 143 11.363 11.040 7.076 1.00 33.20 C ATOM 2171 O ALA A 143 11.645 12.213 6.812 1.00 32.31 O ATOM 2172 CB ALA A 143 13.249 9.550 7.809 1.00 70.01 C ATOM 0 H ALA A 143 11.278 8.422 8.773 1.00 35.44 H new ATOM 0 HA ALA A 143 12.317 11.063 8.989 1.00 45.31 H new ATOM 0 HB1 ALA A 143 13.946 10.238 7.330 1.00 70.01 H new ATOM 0 HB2 ALA A 143 13.729 9.090 8.673 1.00 70.01 H new ATOM 0 HB3 ALA A 143 12.960 8.775 7.100 1.00 70.01 H new ATOM 2178 N MET A 144 10.488 10.348 6.380 1.00 61.00 N ATOM 2179 CA MET A 144 9.777 10.925 5.246 1.00 42.54 C ATOM 2180 C MET A 144 8.663 11.848 5.725 1.00 73.41 C ATOM 2181 O MET A 144 8.399 12.883 5.125 1.00 3.41 O ATOM 2182 CB MET A 144 9.174 9.828 4.342 1.00 15.54 C ATOM 2183 CG MET A 144 10.191 8.897 3.680 1.00 24.43 C ATOM 2184 SD MET A 144 11.354 9.757 2.589 1.00 25.13 S ATOM 2185 CE MET A 144 10.243 10.456 1.360 1.00 2.51 C ATOM 0 H MET A 144 10.246 9.377 6.577 1.00 61.00 H new ATOM 0 HA MET A 144 10.501 11.497 4.667 1.00 42.54 H new ATOM 0 HB2 MET A 144 8.488 9.226 4.937 1.00 15.54 H new ATOM 0 HB3 MET A 144 8.583 10.307 3.562 1.00 15.54 H new ATOM 0 HG2 MET A 144 10.751 8.374 4.455 1.00 24.43 H new ATOM 0 HG3 MET A 144 9.658 8.139 3.105 1.00 24.43 H new ATOM 0 HE1 MET A 144 10.816 10.763 0.485 1.00 2.51 H new ATOM 0 HE2 MET A 144 9.507 9.707 1.067 1.00 2.51 H new ATOM 0 HE3 MET A 144 9.732 11.322 1.782 1.00 2.51 H new ATOM 2195 N ALA A 145 8.021 11.467 6.809 1.00 12.13 N ATOM 2196 CA ALA A 145 6.889 12.211 7.332 1.00 61.21 C ATOM 2197 C ALA A 145 7.284 13.481 8.074 1.00 3.05 C ATOM 2198 O ALA A 145 6.740 14.547 7.800 1.00 44.41 O ATOM 2199 CB ALA A 145 6.018 11.330 8.215 1.00 11.44 C ATOM 0 H ALA A 145 8.265 10.638 7.351 1.00 12.13 H new ATOM 0 HA ALA A 145 6.315 12.528 6.461 1.00 61.21 H new ATOM 0 HB1 ALA A 145 5.178 11.912 8.594 1.00 11.44 H new ATOM 0 HB2 ALA A 145 5.643 10.488 7.633 1.00 11.44 H new ATOM 0 HB3 ALA A 145 6.608 10.958 9.052 1.00 11.44 H new ATOM 2205 N TYR A 146 8.216 13.379 8.989 1.00 63.42 N ATOM 2206 CA TYR A 146 8.570 14.515 9.822 1.00 72.22 C ATOM 2207 C TYR A 146 9.870 15.154 9.358 1.00 25.05 C ATOM 2208 O TYR A 146 9.820 16.144 8.589 1.00 37.37 O ATOM 2209 CB TYR A 146 8.668 14.098 11.294 1.00 55.30 C ATOM 2210 CG TYR A 146 7.400 13.483 11.860 1.00 44.43 C ATOM 2211 CD1 TYR A 146 6.317 14.276 12.200 1.00 15.04 C ATOM 2212 CD2 TYR A 146 7.301 12.111 12.069 1.00 1.22 C ATOM 2213 CE1 TYR A 146 5.168 13.727 12.732 1.00 22.23 C ATOM 2214 CE2 TYR A 146 6.151 11.553 12.597 1.00 72.35 C ATOM 2215 CZ TYR A 146 5.088 12.366 12.928 1.00 62.13 C ATOM 2216 OH TYR A 146 3.943 11.819 13.471 1.00 72.34 O ATOM 2217 OXT TYR A 146 10.954 14.671 9.742 1.00 37.37 O ATOM 0 H TYR A 146 8.744 12.528 9.180 1.00 63.42 H new ATOM 0 HA TYR A 146 7.779 15.258 9.726 1.00 72.22 H new ATOM 0 HB2 TYR A 146 9.483 13.383 11.402 1.00 55.30 H new ATOM 0 HB3 TYR A 146 8.930 14.973 11.890 1.00 55.30 H new ATOM 0 HD1 TYR A 146 6.372 15.344 12.046 1.00 15.04 H new ATOM 0 HD2 TYR A 146 8.134 11.473 11.815 1.00 1.22 H new ATOM 0 HE1 TYR A 146 4.335 14.362 12.994 1.00 22.23 H new ATOM 0 HE2 TYR A 146 6.086 10.486 12.749 1.00 72.35 H new ATOM 0 HH TYR A 146 3.163 12.120 12.960 1.00 72.34 H new