USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 GLN : amide:sc= -0.191 K(o=0.46,f=-6.3!) USER MOD Set 1.2: A 54 HIS : no HE2:sc= 0.654 K(o=0.46,f=-6!) 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 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0049 (180deg=-0.151) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.27! C(o=-4.7!,f=-2.3!) USER MOD Single : A 72 THR OG1 : rot -67:sc= 0.492 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.039 K(o=-0.039,f=-1.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -27:sc= 0.467 USER MOD Single : A 86 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 89 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.0063) USER MOD Single : A 93 TYR OH : rot 91:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 8:sc= 0.99 USER MOD Single : A 99 MET CE :methyl 173:sc= -0.534 (180deg=-0.583) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 122 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.1!) USER MOD Single : A 130 HIS : no HE2:sc= -0.563 K(o=-0.56,f=-1.6) USER MOD Single : A 132 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 133 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.91) USER MOD Single : A 142 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.1!) USER MOD Single : A 144 MET CE :methyl 167:sc= 0 (180deg=-0.158) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.950 5.481 -4.286 1.00 55.54 N ATOM 240 CA ALA A 18 -6.842 4.900 -5.014 1.00 41.35 C ATOM 241 C ALA A 18 -6.310 5.875 -6.050 1.00 42.30 C ATOM 242 O ALA A 18 -7.079 6.392 -6.886 1.00 3.25 O ATOM 243 CB ALA A 18 -7.303 3.620 -5.685 1.00 54.33 C ATOM 0 HA ALA A 18 -6.035 4.676 -4.316 1.00 41.35 H new ATOM 0 HB1 ALA A 18 -6.472 3.178 -6.235 1.00 54.33 H new ATOM 0 HB2 ALA A 18 -7.652 2.918 -4.928 1.00 54.33 H new ATOM 0 HB3 ALA A 18 -8.117 3.844 -6.375 1.00 54.33 H new ATOM 249 N GLY A 19 -5.026 6.159 -5.989 1.00 71.24 N ATOM 250 CA GLY A 19 -4.421 7.081 -6.906 1.00 14.12 C ATOM 251 C GLY A 19 -3.660 6.408 -8.023 1.00 73.24 C ATOM 252 O GLY A 19 -4.264 5.840 -8.956 1.00 20.35 O ATOM 0 H GLY A 19 -4.383 5.757 -5.306 1.00 71.24 H new ATOM 0 HA2 GLY A 19 -5.196 7.715 -7.336 1.00 14.12 H new ATOM 0 HA3 GLY A 19 -3.743 7.735 -6.357 1.00 14.12 H new ATOM 256 N ASP A 20 -2.355 6.447 -7.935 1.00 30.05 N ATOM 257 CA ASP A 20 -1.478 5.936 -8.985 1.00 21.35 C ATOM 258 C ASP A 20 -0.707 4.727 -8.491 1.00 23.25 C ATOM 259 O ASP A 20 -0.205 4.724 -7.371 1.00 24.15 O ATOM 260 CB ASP A 20 -0.525 7.055 -9.459 1.00 22.24 C ATOM 261 CG ASP A 20 0.517 6.611 -10.471 1.00 43.14 C ATOM 262 OD1 ASP A 20 0.159 6.214 -11.598 1.00 65.32 O ATOM 263 OD2 ASP A 20 1.721 6.669 -10.165 1.00 21.34 O ATOM 0 H ASP A 20 -1.858 6.834 -7.133 1.00 30.05 H new ATOM 0 HA ASP A 20 -2.082 5.617 -9.834 1.00 21.35 H new ATOM 0 HB2 ASP A 20 -1.118 7.858 -9.896 1.00 22.24 H new ATOM 0 HB3 ASP A 20 -0.015 7.472 -8.591 1.00 22.24 H new ATOM 268 N ASP A 21 -0.652 3.689 -9.308 1.00 63.15 N ATOM 269 CA ASP A 21 0.042 2.462 -8.942 1.00 14.31 C ATOM 270 C ASP A 21 1.555 2.644 -9.033 1.00 33.25 C ATOM 271 O ASP A 21 2.092 3.139 -10.035 1.00 23.11 O ATOM 272 CB ASP A 21 -0.420 1.250 -9.790 1.00 5.45 C ATOM 273 CG ASP A 21 0.004 1.296 -11.251 1.00 71.21 C ATOM 274 OD1 ASP A 21 -0.582 2.072 -12.042 1.00 52.52 O ATOM 275 OD2 ASP A 21 0.897 0.532 -11.639 1.00 61.51 O ATOM 0 H ASP A 21 -1.081 3.670 -10.233 1.00 63.15 H new ATOM 0 HA ASP A 21 -0.219 2.245 -7.906 1.00 14.31 H new ATOM 0 HB2 ASP A 21 -0.026 0.338 -9.340 1.00 5.45 H new ATOM 0 HB3 ASP A 21 -1.507 1.185 -9.743 1.00 5.45 H new ATOM 280 N VAL A 22 2.230 2.305 -7.959 1.00 32.23 N ATOM 281 CA VAL A 22 3.684 2.416 -7.888 1.00 63.13 C ATOM 282 C VAL A 22 4.334 1.063 -8.196 1.00 34.00 C ATOM 283 O VAL A 22 5.502 0.985 -8.617 1.00 41.11 O ATOM 284 CB VAL A 22 4.143 2.936 -6.488 1.00 1.33 C ATOM 285 CG1 VAL A 22 5.655 3.135 -6.423 1.00 63.52 C ATOM 286 CG2 VAL A 22 3.429 4.237 -6.141 1.00 11.23 C ATOM 0 H VAL A 22 1.797 1.945 -7.109 1.00 32.23 H new ATOM 0 HA VAL A 22 4.006 3.141 -8.636 1.00 63.13 H new ATOM 0 HB VAL A 22 3.876 2.174 -5.756 1.00 1.33 H new ATOM 0 HG11 VAL A 22 5.932 3.497 -5.433 1.00 63.52 H new ATOM 0 HG12 VAL A 22 6.155 2.186 -6.615 1.00 63.52 H new ATOM 0 HG13 VAL A 22 5.959 3.864 -7.174 1.00 63.52 H new ATOM 0 HG21 VAL A 22 3.761 4.584 -5.163 1.00 11.23 H new ATOM 0 HG22 VAL A 22 3.662 4.992 -6.892 1.00 11.23 H new ATOM 0 HG23 VAL A 22 2.353 4.067 -6.119 1.00 11.23 H new ATOM 296 N LEU A 23 3.576 0.006 -8.032 1.00 71.43 N ATOM 297 CA LEU A 23 4.109 -1.306 -8.259 1.00 4.02 C ATOM 298 C LEU A 23 4.188 -1.674 -9.721 1.00 25.52 C ATOM 299 O LEU A 23 3.432 -1.165 -10.553 1.00 64.43 O ATOM 300 CB LEU A 23 3.450 -2.406 -7.398 1.00 62.04 C ATOM 301 CG LEU A 23 1.919 -2.422 -7.218 1.00 45.44 C ATOM 302 CD1 LEU A 23 1.169 -2.493 -8.541 1.00 22.21 C ATOM 303 CD2 LEU A 23 1.536 -3.606 -6.358 1.00 12.13 C ATOM 0 H LEU A 23 2.598 0.032 -7.745 1.00 71.43 H new ATOM 0 HA LEU A 23 5.140 -1.249 -7.910 1.00 4.02 H new ATOM 0 HB2 LEU A 23 3.738 -3.368 -7.823 1.00 62.04 H new ATOM 0 HB3 LEU A 23 3.894 -2.351 -6.404 1.00 62.04 H new ATOM 0 HG LEU A 23 1.636 -1.484 -6.740 1.00 45.44 H new ATOM 0 HD11 LEU A 23 0.096 -2.501 -8.351 1.00 22.21 H new ATOM 0 HD12 LEU A 23 1.423 -1.625 -9.150 1.00 22.21 H new ATOM 0 HD13 LEU A 23 1.451 -3.403 -9.071 1.00 22.21 H new ATOM 0 HD21 LEU A 23 0.454 -3.625 -6.226 1.00 12.13 H new ATOM 0 HD22 LEU A 23 1.858 -4.527 -6.843 1.00 12.13 H new ATOM 0 HD23 LEU A 23 2.019 -3.520 -5.385 1.00 12.13 H new ATOM 315 N ASP A 24 5.125 -2.527 -10.030 1.00 1.24 N ATOM 316 CA ASP A 24 5.322 -3.023 -11.378 1.00 3.33 C ATOM 317 C ASP A 24 4.175 -3.951 -11.696 1.00 60.42 C ATOM 318 O ASP A 24 3.611 -4.549 -10.783 1.00 41.32 O ATOM 319 CB ASP A 24 6.629 -3.838 -11.483 1.00 25.24 C ATOM 320 CG ASP A 24 7.870 -3.092 -11.058 1.00 32.11 C ATOM 321 OD1 ASP A 24 8.108 -2.955 -9.836 1.00 30.32 O ATOM 322 OD2 ASP A 24 8.657 -2.670 -11.923 1.00 52.43 O ATOM 0 H ASP A 24 5.785 -2.906 -9.350 1.00 1.24 H new ATOM 0 HA ASP A 24 5.374 -2.178 -12.065 1.00 3.33 H new ATOM 0 HB2 ASP A 24 6.533 -4.735 -10.871 1.00 25.24 H new ATOM 0 HB3 ASP A 24 6.754 -4.168 -12.514 1.00 25.24 H new ATOM 327 N PRO A 25 3.780 -4.090 -12.966 1.00 10.32 N ATOM 328 CA PRO A 25 2.751 -5.065 -13.354 1.00 74.34 C ATOM 329 C PRO A 25 3.187 -6.493 -12.972 1.00 23.43 C ATOM 330 O PRO A 25 2.362 -7.375 -12.723 1.00 53.40 O ATOM 331 CB PRO A 25 2.658 -4.906 -14.874 1.00 65.02 C ATOM 332 CG PRO A 25 3.151 -3.527 -15.131 1.00 23.44 C ATOM 333 CD PRO A 25 4.233 -3.284 -14.117 1.00 1.21 C ATOM 0 HA PRO A 25 1.796 -4.900 -12.856 1.00 74.34 H new ATOM 0 HB2 PRO A 25 3.267 -5.649 -15.389 1.00 65.02 H new ATOM 0 HB3 PRO A 25 1.634 -5.034 -15.225 1.00 65.02 H new ATOM 0 HG2 PRO A 25 3.538 -3.433 -16.146 1.00 23.44 H new ATOM 0 HG3 PRO A 25 2.347 -2.798 -15.027 1.00 23.44 H new ATOM 0 HD2 PRO A 25 5.209 -3.607 -14.480 1.00 1.21 H new ATOM 0 HD3 PRO A 25 4.321 -2.228 -13.863 1.00 1.21 H new ATOM 341 N ASP A 26 4.505 -6.677 -12.877 1.00 41.41 N ATOM 342 CA ASP A 26 5.115 -7.944 -12.470 1.00 30.34 C ATOM 343 C ASP A 26 4.929 -8.191 -10.980 1.00 41.44 C ATOM 344 O ASP A 26 5.162 -9.300 -10.489 1.00 32.44 O ATOM 345 CB ASP A 26 6.607 -7.977 -12.817 1.00 73.34 C ATOM 346 CG ASP A 26 6.867 -7.961 -14.302 1.00 0.22 C ATOM 347 OD1 ASP A 26 6.957 -6.858 -14.891 1.00 61.43 O ATOM 348 OD2 ASP A 26 6.990 -9.043 -14.912 1.00 55.35 O ATOM 0 H ASP A 26 5.185 -5.945 -13.082 1.00 41.41 H new ATOM 0 HA ASP A 26 4.609 -8.736 -13.022 1.00 30.34 H new ATOM 0 HB2 ASP A 26 7.100 -7.120 -12.358 1.00 73.34 H new ATOM 0 HB3 ASP A 26 7.055 -8.872 -12.385 1.00 73.34 H new ATOM 353 N GLU A 27 4.533 -7.165 -10.252 1.00 23.13 N ATOM 354 CA GLU A 27 4.230 -7.325 -8.858 1.00 22.44 C ATOM 355 C GLU A 27 2.804 -7.825 -8.750 1.00 0.21 C ATOM 356 O GLU A 27 1.897 -7.298 -9.430 1.00 0.11 O ATOM 357 CB GLU A 27 4.405 -6.024 -8.065 1.00 72.41 C ATOM 358 CG GLU A 27 5.833 -5.488 -8.027 1.00 4.15 C ATOM 359 CD GLU A 27 6.818 -6.480 -7.451 1.00 43.23 C ATOM 360 OE1 GLU A 27 6.854 -6.655 -6.223 1.00 53.05 O ATOM 361 OE2 GLU A 27 7.593 -7.086 -8.230 1.00 74.20 O ATOM 0 H GLU A 27 4.416 -6.217 -10.609 1.00 23.13 H new ATOM 0 HA GLU A 27 4.929 -8.040 -8.424 1.00 22.44 H new ATOM 0 HB2 GLU A 27 3.756 -5.261 -8.496 1.00 72.41 H new ATOM 0 HB3 GLU A 27 4.066 -6.189 -7.042 1.00 72.41 H new ATOM 0 HG2 GLU A 27 6.143 -5.221 -9.037 1.00 4.15 H new ATOM 0 HG3 GLU A 27 5.857 -4.574 -7.434 1.00 4.15 H new ATOM 368 N PRO A 28 2.588 -8.867 -7.963 1.00 72.50 N ATOM 369 CA PRO A 28 1.277 -9.490 -7.816 1.00 40.12 C ATOM 370 C PRO A 28 0.265 -8.603 -7.075 1.00 60.23 C ATOM 371 O PRO A 28 0.622 -7.832 -6.150 1.00 34.51 O ATOM 372 CB PRO A 28 1.585 -10.756 -7.022 1.00 2.34 C ATOM 373 CG PRO A 28 2.814 -10.431 -6.253 1.00 11.13 C ATOM 374 CD PRO A 28 3.618 -9.548 -7.144 1.00 21.43 C ATOM 0 HA PRO A 28 0.805 -9.677 -8.780 1.00 40.12 H new ATOM 0 HB2 PRO A 28 0.761 -11.017 -6.359 1.00 2.34 H new ATOM 0 HB3 PRO A 28 1.745 -11.608 -7.682 1.00 2.34 H new ATOM 0 HG2 PRO A 28 2.570 -9.928 -5.318 1.00 11.13 H new ATOM 0 HG3 PRO A 28 3.366 -11.335 -5.994 1.00 11.13 H new ATOM 0 HD2 PRO A 28 4.215 -8.836 -6.574 1.00 21.43 H new ATOM 0 HD3 PRO A 28 4.310 -10.121 -7.762 1.00 21.43 H new ATOM 382 N THR A 29 -0.979 -8.708 -7.460 1.00 71.04 N ATOM 383 CA THR A 29 -2.019 -7.923 -6.876 1.00 20.33 C ATOM 384 C THR A 29 -3.198 -8.778 -6.418 1.00 52.13 C ATOM 385 O THR A 29 -3.300 -9.970 -6.733 1.00 74.35 O ATOM 386 CB THR A 29 -2.506 -6.813 -7.849 1.00 31.02 C ATOM 387 OG1 THR A 29 -2.707 -7.358 -9.168 1.00 1.50 O ATOM 388 CG2 THR A 29 -1.517 -5.655 -7.908 1.00 52.32 C ATOM 0 H THR A 29 -1.295 -9.345 -8.191 1.00 71.04 H new ATOM 0 HA THR A 29 -1.590 -7.448 -5.994 1.00 20.33 H new ATOM 0 HB THR A 29 -3.454 -6.430 -7.471 1.00 31.02 H new ATOM 0 HG1 THR A 29 -3.015 -6.650 -9.771 1.00 1.50 H new ATOM 0 HG21 THR A 29 -1.887 -4.896 -8.597 1.00 52.32 H new ATOM 0 HG22 THR A 29 -1.406 -5.220 -6.915 1.00 52.32 H new ATOM 0 HG23 THR A 29 -0.550 -6.020 -8.255 1.00 52.32 H new ATOM 396 N TYR A 30 -4.023 -8.171 -5.635 1.00 31.10 N ATOM 397 CA TYR A 30 -5.249 -8.706 -5.131 1.00 13.15 C ATOM 398 C TYR A 30 -6.330 -7.689 -5.378 1.00 73.31 C ATOM 399 O TYR A 30 -6.038 -6.525 -5.612 1.00 75.30 O ATOM 400 CB TYR A 30 -5.185 -9.037 -3.627 1.00 24.21 C ATOM 401 CG TYR A 30 -4.403 -10.282 -3.260 1.00 33.20 C ATOM 402 CD1 TYR A 30 -4.530 -11.441 -3.999 1.00 13.41 C ATOM 403 CD2 TYR A 30 -3.582 -10.308 -2.149 1.00 34.33 C ATOM 404 CE1 TYR A 30 -3.865 -12.589 -3.658 1.00 40.11 C ATOM 405 CE2 TYR A 30 -2.900 -11.460 -1.797 1.00 65.01 C ATOM 406 CZ TYR A 30 -3.050 -12.601 -2.561 1.00 33.42 C ATOM 407 OH TYR A 30 -2.375 -13.758 -2.228 1.00 62.55 O ATOM 0 H TYR A 30 -3.849 -7.221 -5.305 1.00 31.10 H new ATOM 0 HA TYR A 30 -5.452 -9.645 -5.647 1.00 13.15 H new ATOM 0 HB2 TYR A 30 -4.745 -8.187 -3.105 1.00 24.21 H new ATOM 0 HB3 TYR A 30 -6.203 -9.147 -3.255 1.00 24.21 H new ATOM 0 HD1 TYR A 30 -5.170 -11.443 -4.869 1.00 13.41 H new ATOM 0 HD2 TYR A 30 -3.471 -9.418 -1.547 1.00 34.33 H new ATOM 0 HE1 TYR A 30 -3.984 -13.482 -4.254 1.00 40.11 H new ATOM 0 HE2 TYR A 30 -2.255 -11.467 -0.931 1.00 65.01 H new ATOM 0 HH TYR A 30 -1.837 -13.603 -1.424 1.00 62.55 H new ATOM 417 N ASP A 31 -7.534 -8.112 -5.338 1.00 61.23 N ATOM 418 CA ASP A 31 -8.669 -7.243 -5.533 1.00 33.32 C ATOM 419 C ASP A 31 -9.617 -7.632 -4.421 1.00 24.32 C ATOM 420 O ASP A 31 -9.381 -8.664 -3.770 1.00 32.54 O ATOM 421 CB ASP A 31 -9.314 -7.522 -6.911 1.00 35.21 C ATOM 422 CG ASP A 31 -10.301 -6.454 -7.377 1.00 35.21 C ATOM 423 OD1 ASP A 31 -11.342 -6.244 -6.731 1.00 22.41 O ATOM 424 OD2 ASP A 31 -10.069 -5.842 -8.429 1.00 4.12 O ATOM 0 H ASP A 31 -7.783 -9.086 -5.167 1.00 61.23 H new ATOM 0 HA ASP A 31 -8.407 -6.185 -5.512 1.00 33.32 H new ATOM 0 HB2 ASP A 31 -8.523 -7.617 -7.655 1.00 35.21 H new ATOM 0 HB3 ASP A 31 -9.830 -8.481 -6.869 1.00 35.21 H new ATOM 429 N LEU A 32 -10.654 -6.873 -4.204 1.00 43.51 N ATOM 430 CA LEU A 32 -11.528 -7.052 -3.043 1.00 3.12 C ATOM 431 C LEU A 32 -12.106 -8.481 -2.896 1.00 34.12 C ATOM 432 O LEU A 32 -11.956 -9.075 -1.830 1.00 5.32 O ATOM 433 CB LEU A 32 -12.623 -5.963 -2.922 1.00 44.00 C ATOM 434 CG LEU A 32 -12.163 -4.519 -2.618 1.00 73.24 C ATOM 435 CD1 LEU A 32 -11.418 -3.881 -3.787 1.00 71.32 C ATOM 436 CD2 LEU A 32 -13.345 -3.664 -2.200 1.00 43.30 C ATOM 0 H LEU A 32 -10.931 -6.107 -4.819 1.00 43.51 H new ATOM 0 HA LEU A 32 -10.863 -6.918 -2.190 1.00 3.12 H new ATOM 0 HB2 LEU A 32 -13.186 -5.947 -3.855 1.00 44.00 H new ATOM 0 HB3 LEU A 32 -13.315 -6.268 -2.137 1.00 44.00 H new ATOM 0 HG LEU A 32 -11.455 -4.576 -1.791 1.00 73.24 H new ATOM 0 HD11 LEU A 32 -11.118 -2.868 -3.518 1.00 71.32 H new ATOM 0 HD12 LEU A 32 -10.532 -4.472 -4.020 1.00 71.32 H new ATOM 0 HD13 LEU A 32 -12.071 -3.847 -4.659 1.00 71.32 H new ATOM 0 HD21 LEU A 32 -13.004 -2.650 -1.989 1.00 43.30 H new ATOM 0 HD22 LEU A 32 -14.080 -3.640 -3.005 1.00 43.30 H new ATOM 0 HD23 LEU A 32 -13.801 -4.087 -1.305 1.00 43.30 H new ATOM 448 N PRO A 33 -12.746 -9.082 -3.947 1.00 2.23 N ATOM 449 CA PRO A 33 -13.246 -10.467 -3.873 1.00 54.22 C ATOM 450 C PRO A 33 -12.127 -11.481 -3.561 1.00 52.02 C ATOM 451 O PRO A 33 -12.334 -12.445 -2.828 1.00 30.32 O ATOM 452 CB PRO A 33 -13.835 -10.724 -5.272 1.00 34.13 C ATOM 453 CG PRO A 33 -13.266 -9.651 -6.134 1.00 63.12 C ATOM 454 CD PRO A 33 -13.096 -8.465 -5.240 1.00 64.45 C ATOM 0 HA PRO A 33 -13.971 -10.589 -3.069 1.00 54.22 H new ATOM 0 HB2 PRO A 33 -13.561 -11.713 -5.640 1.00 34.13 H new ATOM 0 HB3 PRO A 33 -14.924 -10.681 -5.256 1.00 34.13 H new ATOM 0 HG2 PRO A 33 -12.312 -9.958 -6.564 1.00 63.12 H new ATOM 0 HG3 PRO A 33 -13.932 -9.422 -6.966 1.00 63.12 H new ATOM 0 HD2 PRO A 33 -12.311 -7.798 -5.596 1.00 64.45 H new ATOM 0 HD3 PRO A 33 -14.010 -7.874 -5.173 1.00 64.45 H new ATOM 462 N ARG A 34 -10.946 -11.234 -4.097 1.00 44.30 N ATOM 463 CA ARG A 34 -9.802 -12.090 -3.901 1.00 75.04 C ATOM 464 C ARG A 34 -9.309 -11.992 -2.452 1.00 32.15 C ATOM 465 O ARG A 34 -8.932 -12.986 -1.852 1.00 50.24 O ATOM 466 CB ARG A 34 -8.719 -11.660 -4.872 1.00 23.33 C ATOM 467 CG ARG A 34 -7.522 -12.574 -4.987 1.00 63.35 C ATOM 468 CD ARG A 34 -7.904 -13.941 -5.496 1.00 43.30 C ATOM 469 NE ARG A 34 -6.722 -14.643 -6.046 1.00 24.24 N ATOM 470 CZ ARG A 34 -6.686 -15.910 -6.490 1.00 14.12 C ATOM 471 NH1 ARG A 34 -7.617 -16.779 -6.146 1.00 64.43 N ATOM 472 NH2 ARG A 34 -5.646 -16.322 -7.200 1.00 64.32 N ATOM 0 H ARG A 34 -10.757 -10.423 -4.686 1.00 44.30 H new ATOM 0 HA ARG A 34 -10.070 -13.130 -4.087 1.00 75.04 H new ATOM 0 HB2 ARG A 34 -9.167 -11.557 -5.860 1.00 23.33 H new ATOM 0 HB3 ARG A 34 -8.367 -10.671 -4.577 1.00 23.33 H new ATOM 0 HG2 ARG A 34 -6.789 -12.128 -5.659 1.00 63.35 H new ATOM 0 HG3 ARG A 34 -7.044 -12.670 -4.012 1.00 63.35 H new ATOM 0 HD2 ARG A 34 -8.338 -14.528 -4.686 1.00 43.30 H new ATOM 0 HD3 ARG A 34 -8.669 -13.847 -6.267 1.00 43.30 H new ATOM 0 HE ARG A 34 -5.851 -14.113 -6.092 1.00 24.24 H new ATOM 0 HH11 ARG A 34 -8.380 -16.493 -5.533 1.00 64.43 H new ATOM 0 HH12 ARG A 34 -7.573 -17.737 -6.493 1.00 64.43 H new ATOM 0 HH21 ARG A 34 -4.881 -15.679 -7.405 1.00 64.32 H new ATOM 0 HH22 ARG A 34 -5.610 -17.282 -7.541 1.00 64.32 H new ATOM 486 N VAL A 35 -9.327 -10.792 -1.896 1.00 45.42 N ATOM 487 CA VAL A 35 -8.942 -10.602 -0.498 1.00 42.53 C ATOM 488 C VAL A 35 -9.996 -11.225 0.412 1.00 12.43 C ATOM 489 O VAL A 35 -9.677 -11.871 1.416 1.00 71.12 O ATOM 490 CB VAL A 35 -8.730 -9.102 -0.138 1.00 61.32 C ATOM 491 CG1 VAL A 35 -8.373 -8.927 1.333 1.00 72.33 C ATOM 492 CG2 VAL A 35 -7.647 -8.492 -1.007 1.00 24.40 C ATOM 0 H VAL A 35 -9.601 -9.938 -2.382 1.00 45.42 H new ATOM 0 HA VAL A 35 -7.984 -11.100 -0.348 1.00 42.53 H new ATOM 0 HB VAL A 35 -9.671 -8.585 -0.325 1.00 61.32 H new ATOM 0 HG11 VAL A 35 -8.232 -7.868 1.550 1.00 72.33 H new ATOM 0 HG12 VAL A 35 -9.179 -9.320 1.952 1.00 72.33 H new ATOM 0 HG13 VAL A 35 -7.452 -9.468 1.551 1.00 72.33 H new ATOM 0 HG21 VAL A 35 -7.514 -7.444 -0.740 1.00 24.40 H new ATOM 0 HG22 VAL A 35 -6.711 -9.028 -0.851 1.00 24.40 H new ATOM 0 HG23 VAL A 35 -7.937 -8.566 -2.055 1.00 24.40 H new ATOM 502 N ALA A 36 -11.245 -11.068 0.015 1.00 75.54 N ATOM 503 CA ALA A 36 -12.380 -11.643 0.718 1.00 4.23 C ATOM 504 C ALA A 36 -12.244 -13.163 0.768 1.00 71.13 C ATOM 505 O ALA A 36 -12.580 -13.813 1.765 1.00 33.55 O ATOM 506 CB ALA A 36 -13.665 -11.248 0.004 1.00 31.31 C ATOM 0 H ALA A 36 -11.504 -10.532 -0.813 1.00 75.54 H new ATOM 0 HA ALA A 36 -12.409 -11.265 1.740 1.00 4.23 H new ATOM 0 HB1 ALA A 36 -14.519 -11.677 0.528 1.00 31.31 H new ATOM 0 HB2 ALA A 36 -13.755 -10.162 -0.008 1.00 31.31 H new ATOM 0 HB3 ALA A 36 -13.642 -11.622 -1.020 1.00 31.31 H new ATOM 512 N GLU A 37 -11.715 -13.699 -0.306 1.00 12.42 N ATOM 513 CA GLU A 37 -11.455 -15.110 -0.468 1.00 74.40 C ATOM 514 C GLU A 37 -10.389 -15.563 0.532 1.00 32.31 C ATOM 515 O GLU A 37 -10.530 -16.600 1.176 1.00 34.11 O ATOM 516 CB GLU A 37 -10.952 -15.329 -1.883 1.00 51.30 C ATOM 517 CG GLU A 37 -10.815 -16.767 -2.312 1.00 41.14 C ATOM 518 CD GLU A 37 -10.295 -16.868 -3.715 1.00 4.55 C ATOM 519 OE1 GLU A 37 -11.105 -16.870 -4.663 1.00 13.12 O ATOM 520 OE2 GLU A 37 -9.069 -16.941 -3.900 1.00 75.05 O ATOM 0 H GLU A 37 -11.444 -13.146 -1.119 1.00 12.42 H new ATOM 0 HA GLU A 37 -12.363 -15.685 -0.289 1.00 74.40 H new ATOM 0 HB2 GLU A 37 -11.631 -14.826 -2.572 1.00 51.30 H new ATOM 0 HB3 GLU A 37 -9.980 -14.845 -1.983 1.00 51.30 H new ATOM 0 HG2 GLU A 37 -10.141 -17.289 -1.633 1.00 41.14 H new ATOM 0 HG3 GLU A 37 -11.783 -17.263 -2.244 1.00 41.14 H new ATOM 527 N LEU A 38 -9.346 -14.760 0.665 1.00 4.21 N ATOM 528 CA LEU A 38 -8.231 -15.059 1.561 1.00 63.04 C ATOM 529 C LEU A 38 -8.667 -15.013 3.022 1.00 61.22 C ATOM 530 O LEU A 38 -8.456 -15.960 3.785 1.00 3.20 O ATOM 531 CB LEU A 38 -7.106 -14.035 1.373 1.00 35.04 C ATOM 532 CG LEU A 38 -6.486 -13.906 -0.014 1.00 64.34 C ATOM 533 CD1 LEU A 38 -5.490 -12.773 -0.018 1.00 52.13 C ATOM 534 CD2 LEU A 38 -5.801 -15.193 -0.427 1.00 3.20 C ATOM 0 H LEU A 38 -9.244 -13.882 0.157 1.00 4.21 H new ATOM 0 HA LEU A 38 -7.881 -16.062 1.314 1.00 63.04 H new ATOM 0 HB2 LEU A 38 -7.492 -13.057 1.659 1.00 35.04 H new ATOM 0 HB3 LEU A 38 -6.309 -14.281 2.075 1.00 35.04 H new ATOM 0 HG LEU A 38 -7.282 -13.700 -0.730 1.00 64.34 H new ATOM 0 HD11 LEU A 38 -5.047 -12.681 -1.010 1.00 52.13 H new ATOM 0 HD12 LEU A 38 -5.996 -11.843 0.241 1.00 52.13 H new ATOM 0 HD13 LEU A 38 -4.706 -12.975 0.712 1.00 52.13 H new ATOM 0 HD21 LEU A 38 -5.368 -15.072 -1.420 1.00 3.20 H new ATOM 0 HD22 LEU A 38 -5.012 -15.430 0.287 1.00 3.20 H new ATOM 0 HD23 LEU A 38 -6.530 -16.003 -0.445 1.00 3.20 H new ATOM 546 N LEU A 39 -9.327 -13.932 3.388 1.00 1.51 N ATOM 547 CA LEU A 39 -9.678 -13.688 4.779 1.00 32.30 C ATOM 548 C LEU A 39 -10.925 -14.453 5.198 1.00 44.22 C ATOM 549 O LEU A 39 -11.173 -14.640 6.385 1.00 23.54 O ATOM 550 CB LEU A 39 -9.859 -12.186 5.027 1.00 14.03 C ATOM 551 CG LEU A 39 -8.656 -11.282 4.703 1.00 12.21 C ATOM 552 CD1 LEU A 39 -8.987 -9.829 5.000 1.00 2.30 C ATOM 553 CD2 LEU A 39 -7.411 -11.713 5.470 1.00 54.41 C ATOM 0 H LEU A 39 -9.633 -13.205 2.742 1.00 1.51 H new ATOM 0 HA LEU A 39 -8.855 -14.054 5.392 1.00 32.30 H new ATOM 0 HB2 LEU A 39 -10.710 -11.844 4.438 1.00 14.03 H new ATOM 0 HB3 LEU A 39 -10.119 -12.043 6.076 1.00 14.03 H new ATOM 0 HG LEU A 39 -8.442 -11.383 3.639 1.00 12.21 H new ATOM 0 HD11 LEU A 39 -8.125 -9.204 4.765 1.00 2.30 H new ATOM 0 HD12 LEU A 39 -9.837 -9.518 4.393 1.00 2.30 H new ATOM 0 HD13 LEU A 39 -9.236 -9.721 6.056 1.00 2.30 H new ATOM 0 HD21 LEU A 39 -6.581 -11.053 5.217 1.00 54.41 H new ATOM 0 HD22 LEU A 39 -7.606 -11.657 6.541 1.00 54.41 H new ATOM 0 HD23 LEU A 39 -7.155 -12.738 5.201 1.00 54.41 H new ATOM 565 N GLY A 40 -11.692 -14.901 4.233 1.00 40.34 N ATOM 566 CA GLY A 40 -12.887 -15.663 4.532 1.00 23.14 C ATOM 567 C GLY A 40 -14.027 -14.768 4.948 1.00 2.34 C ATOM 568 O GLY A 40 -14.956 -15.197 5.628 1.00 42.55 O ATOM 0 H GLY A 40 -11.514 -14.754 3.239 1.00 40.34 H new ATOM 0 HA2 GLY A 40 -13.179 -16.241 3.656 1.00 23.14 H new ATOM 0 HA3 GLY A 40 -12.675 -16.376 5.328 1.00 23.14 H new ATOM 572 N VAL A 41 -13.961 -13.526 4.531 1.00 62.11 N ATOM 573 CA VAL A 41 -14.961 -12.536 4.895 1.00 71.14 C ATOM 574 C VAL A 41 -15.614 -11.975 3.643 1.00 53.12 C ATOM 575 O VAL A 41 -15.077 -12.132 2.557 1.00 42.11 O ATOM 576 CB VAL A 41 -14.347 -11.363 5.727 1.00 24.45 C ATOM 577 CG1 VAL A 41 -13.749 -11.870 7.022 1.00 1.21 C ATOM 578 CG2 VAL A 41 -13.310 -10.585 4.922 1.00 42.54 C ATOM 0 H VAL A 41 -13.217 -13.169 3.931 1.00 62.11 H new ATOM 0 HA VAL A 41 -15.705 -13.037 5.515 1.00 71.14 H new ATOM 0 HB VAL A 41 -15.159 -10.678 5.970 1.00 24.45 H new ATOM 0 HG11 VAL A 41 -13.329 -11.034 7.581 1.00 1.21 H new ATOM 0 HG12 VAL A 41 -14.525 -12.351 7.617 1.00 1.21 H new ATOM 0 HG13 VAL A 41 -12.962 -12.591 6.802 1.00 1.21 H new ATOM 0 HG21 VAL A 41 -12.906 -9.778 5.533 1.00 42.54 H new ATOM 0 HG22 VAL A 41 -12.503 -11.255 4.625 1.00 42.54 H new ATOM 0 HG23 VAL A 41 -13.780 -10.166 4.032 1.00 42.54 H new ATOM 588 N PRO A 42 -16.812 -11.389 3.758 1.00 55.31 N ATOM 589 CA PRO A 42 -17.455 -10.702 2.640 1.00 23.33 C ATOM 590 C PRO A 42 -16.638 -9.504 2.114 1.00 43.53 C ATOM 591 O PRO A 42 -15.856 -8.854 2.858 1.00 12.23 O ATOM 592 CB PRO A 42 -18.790 -10.208 3.214 1.00 33.22 C ATOM 593 CG PRO A 42 -18.643 -10.314 4.690 1.00 30.52 C ATOM 594 CD PRO A 42 -17.687 -11.436 4.936 1.00 43.34 C ATOM 0 HA PRO A 42 -17.562 -11.373 1.788 1.00 23.33 H new ATOM 0 HB2 PRO A 42 -18.993 -9.181 2.911 1.00 33.22 H new ATOM 0 HB3 PRO A 42 -19.621 -10.816 2.856 1.00 33.22 H new ATOM 0 HG2 PRO A 42 -18.266 -9.382 5.111 1.00 30.52 H new ATOM 0 HG3 PRO A 42 -19.605 -10.512 5.163 1.00 30.52 H new ATOM 0 HD2 PRO A 42 -17.127 -11.294 5.860 1.00 43.34 H new ATOM 0 HD3 PRO A 42 -18.201 -12.394 5.019 1.00 43.34 H new ATOM 602 N VAL A 43 -16.862 -9.203 0.853 1.00 71.42 N ATOM 603 CA VAL A 43 -16.204 -8.124 0.127 1.00 21.22 C ATOM 604 C VAL A 43 -16.439 -6.774 0.817 1.00 72.25 C ATOM 605 O VAL A 43 -15.546 -5.924 0.858 1.00 43.52 O ATOM 606 CB VAL A 43 -16.733 -8.068 -1.337 1.00 44.20 C ATOM 607 CG1 VAL A 43 -16.098 -6.937 -2.133 1.00 60.03 C ATOM 608 CG2 VAL A 43 -16.499 -9.395 -2.042 1.00 34.25 C ATOM 0 H VAL A 43 -17.530 -9.718 0.280 1.00 71.42 H new ATOM 0 HA VAL A 43 -15.132 -8.323 0.118 1.00 21.22 H new ATOM 0 HB VAL A 43 -17.804 -7.874 -1.282 1.00 44.20 H new ATOM 0 HG11 VAL A 43 -16.497 -6.937 -3.147 1.00 60.03 H new ATOM 0 HG12 VAL A 43 -16.324 -5.984 -1.654 1.00 60.03 H new ATOM 0 HG13 VAL A 43 -15.018 -7.079 -2.168 1.00 60.03 H new ATOM 0 HG21 VAL A 43 -16.875 -9.336 -3.063 1.00 34.25 H new ATOM 0 HG22 VAL A 43 -15.431 -9.614 -2.061 1.00 34.25 H new ATOM 0 HG23 VAL A 43 -17.022 -10.188 -1.508 1.00 34.25 H new ATOM 618 N SER A 44 -17.617 -6.606 1.392 1.00 20.53 N ATOM 619 CA SER A 44 -17.970 -5.381 2.062 1.00 4.44 C ATOM 620 C SER A 44 -17.066 -5.151 3.301 1.00 12.12 C ATOM 621 O SER A 44 -16.684 -4.020 3.593 1.00 63.32 O ATOM 622 CB SER A 44 -19.465 -5.384 2.422 1.00 13.24 C ATOM 623 OG SER A 44 -19.901 -4.108 2.862 1.00 33.10 O ATOM 0 H SER A 44 -18.349 -7.316 1.404 1.00 20.53 H new ATOM 0 HA SER A 44 -17.798 -4.543 1.386 1.00 4.44 H new ATOM 0 HB2 SER A 44 -20.048 -5.688 1.553 1.00 13.24 H new ATOM 0 HB3 SER A 44 -19.650 -6.121 3.203 1.00 13.24 H new ATOM 0 HG SER A 44 -20.856 -4.146 3.081 1.00 33.10 H new ATOM 629 N LYS A 45 -16.669 -6.232 3.987 1.00 75.54 N ATOM 630 CA LYS A 45 -15.758 -6.098 5.123 1.00 1.51 C ATOM 631 C LYS A 45 -14.383 -5.682 4.645 1.00 74.03 C ATOM 632 O LYS A 45 -13.697 -4.900 5.308 1.00 51.45 O ATOM 633 CB LYS A 45 -15.673 -7.368 5.972 1.00 33.33 C ATOM 634 CG LYS A 45 -16.911 -7.640 6.806 1.00 21.13 C ATOM 635 CD LYS A 45 -16.735 -8.891 7.654 1.00 31.55 C ATOM 636 CE LYS A 45 -17.947 -9.158 8.531 1.00 35.01 C ATOM 637 NZ LYS A 45 -18.179 -8.085 9.518 1.00 72.11 N ATOM 0 H LYS A 45 -16.959 -7.187 3.779 1.00 75.54 H new ATOM 0 HA LYS A 45 -16.167 -5.321 5.769 1.00 1.51 H new ATOM 0 HB2 LYS A 45 -15.496 -8.220 5.315 1.00 33.33 H new ATOM 0 HB3 LYS A 45 -14.811 -7.292 6.635 1.00 33.33 H new ATOM 0 HG2 LYS A 45 -17.114 -6.785 7.451 1.00 21.13 H new ATOM 0 HG3 LYS A 45 -17.775 -7.758 6.152 1.00 21.13 H new ATOM 0 HD2 LYS A 45 -16.562 -9.749 7.004 1.00 31.55 H new ATOM 0 HD3 LYS A 45 -15.850 -8.783 8.281 1.00 31.55 H new ATOM 0 HE2 LYS A 45 -18.830 -9.265 7.901 1.00 35.01 H new ATOM 0 HE3 LYS A 45 -17.811 -10.105 9.054 1.00 35.01 H new ATOM 0 HZ1 LYS A 45 -18.881 -8.402 10.217 1.00 72.11 H new ATOM 0 HZ2 LYS A 45 -17.286 -7.859 10.001 1.00 72.11 H new ATOM 0 HZ3 LYS A 45 -18.534 -7.237 9.032 1.00 72.11 H new ATOM 651 N VAL A 46 -13.998 -6.192 3.482 1.00 51.02 N ATOM 652 CA VAL A 46 -12.733 -5.809 2.847 1.00 14.42 C ATOM 653 C VAL A 46 -12.760 -4.312 2.500 1.00 25.51 C ATOM 654 O VAL A 46 -11.792 -3.581 2.748 1.00 5.31 O ATOM 655 CB VAL A 46 -12.461 -6.642 1.565 1.00 63.32 C ATOM 656 CG1 VAL A 46 -11.150 -6.225 0.913 1.00 21.25 C ATOM 657 CG2 VAL A 46 -12.444 -8.127 1.888 1.00 1.41 C ATOM 0 H VAL A 46 -14.542 -6.874 2.954 1.00 51.02 H new ATOM 0 HA VAL A 46 -11.928 -6.010 3.553 1.00 14.42 H new ATOM 0 HB VAL A 46 -13.268 -6.449 0.859 1.00 63.32 H new ATOM 0 HG11 VAL A 46 -10.983 -6.823 0.017 1.00 21.25 H new ATOM 0 HG12 VAL A 46 -11.198 -5.170 0.641 1.00 21.25 H new ATOM 0 HG13 VAL A 46 -10.329 -6.382 1.613 1.00 21.25 H new ATOM 0 HG21 VAL A 46 -12.252 -8.695 0.978 1.00 1.41 H new ATOM 0 HG22 VAL A 46 -11.659 -8.332 2.616 1.00 1.41 H new ATOM 0 HG23 VAL A 46 -13.409 -8.420 2.302 1.00 1.41 H new ATOM 667 N ALA A 47 -13.890 -3.861 1.969 1.00 51.42 N ATOM 668 CA ALA A 47 -14.093 -2.454 1.639 1.00 63.54 C ATOM 669 C ALA A 47 -13.976 -1.590 2.897 1.00 62.40 C ATOM 670 O ALA A 47 -13.427 -0.490 2.863 1.00 71.22 O ATOM 671 CB ALA A 47 -15.448 -2.252 0.971 1.00 10.53 C ATOM 0 H ALA A 47 -14.689 -4.457 1.755 1.00 51.42 H new ATOM 0 HA ALA A 47 -13.318 -2.147 0.937 1.00 63.54 H new ATOM 0 HB1 ALA A 47 -15.582 -1.197 0.732 1.00 10.53 H new ATOM 0 HB2 ALA A 47 -15.493 -2.840 0.054 1.00 10.53 H new ATOM 0 HB3 ALA A 47 -16.239 -2.574 1.648 1.00 10.53 H new ATOM 677 N GLN A 48 -14.462 -2.118 4.010 1.00 12.22 N ATOM 678 CA GLN A 48 -14.379 -1.428 5.283 1.00 2.20 C ATOM 679 C GLN A 48 -12.954 -1.315 5.769 1.00 30.34 C ATOM 680 O GLN A 48 -12.599 -0.335 6.378 1.00 44.12 O ATOM 681 CB GLN A 48 -15.243 -2.052 6.358 1.00 43.55 C ATOM 682 CG GLN A 48 -16.722 -1.955 6.095 1.00 3.33 C ATOM 683 CD GLN A 48 -17.513 -2.360 7.299 1.00 20.31 C ATOM 684 OE1 GLN A 48 -17.864 -3.530 7.476 1.00 63.44 O ATOM 685 NE2 GLN A 48 -17.781 -1.412 8.149 1.00 53.11 N ATOM 0 H GLN A 48 -14.920 -3.028 4.054 1.00 12.22 H new ATOM 0 HA GLN A 48 -14.768 -0.427 5.093 1.00 2.20 H new ATOM 0 HB2 GLN A 48 -14.972 -3.103 6.462 1.00 43.55 H new ATOM 0 HB3 GLN A 48 -15.022 -1.570 7.311 1.00 43.55 H new ATOM 0 HG2 GLN A 48 -16.978 -0.933 5.815 1.00 3.33 H new ATOM 0 HG3 GLN A 48 -16.987 -2.592 5.251 1.00 3.33 H new ATOM 0 HE21 GLN A 48 -17.472 -0.458 7.963 1.00 53.11 H new ATOM 0 HE22 GLN A 48 -18.300 -1.623 9.001 1.00 53.11 H new ATOM 694 N GLN A 49 -12.140 -2.328 5.503 1.00 74.31 N ATOM 695 CA GLN A 49 -10.725 -2.295 5.894 1.00 60.34 C ATOM 696 C GLN A 49 -10.070 -1.080 5.246 1.00 34.05 C ATOM 697 O GLN A 49 -9.454 -0.244 5.924 1.00 13.31 O ATOM 698 CB GLN A 49 -10.004 -3.585 5.452 1.00 1.31 C ATOM 699 CG GLN A 49 -10.623 -4.878 5.990 1.00 34.11 C ATOM 700 CD GLN A 49 -10.495 -5.058 7.497 1.00 54.34 C ATOM 701 OE1 GLN A 49 -10.417 -4.094 8.261 1.00 33.21 O ATOM 702 NE2 GLN A 49 -10.516 -6.281 7.940 1.00 1.11 N ATOM 0 H GLN A 49 -12.427 -3.180 5.022 1.00 74.31 H new ATOM 0 HA GLN A 49 -10.651 -2.226 6.979 1.00 60.34 H new ATOM 0 HB2 GLN A 49 -9.997 -3.627 4.363 1.00 1.31 H new ATOM 0 HB3 GLN A 49 -8.964 -3.533 5.775 1.00 1.31 H new ATOM 0 HG2 GLN A 49 -11.679 -4.899 5.722 1.00 34.11 H new ATOM 0 HG3 GLN A 49 -10.151 -5.726 5.494 1.00 34.11 H new ATOM 0 HE21 GLN A 49 -10.581 -7.060 7.285 1.00 1.11 H new ATOM 0 HE22 GLN A 49 -10.467 -6.461 8.943 1.00 1.11 H new ATOM 711 N LEU A 50 -10.310 -0.943 3.955 1.00 34.02 N ATOM 712 CA LEU A 50 -9.803 0.170 3.165 1.00 51.33 C ATOM 713 C LEU A 50 -10.373 1.497 3.688 1.00 54.42 C ATOM 714 O LEU A 50 -9.655 2.474 3.843 1.00 30.10 O ATOM 715 CB LEU A 50 -10.192 -0.033 1.689 1.00 64.12 C ATOM 716 CG LEU A 50 -9.816 1.091 0.708 1.00 54.10 C ATOM 717 CD1 LEU A 50 -8.312 1.285 0.639 1.00 25.02 C ATOM 718 CD2 LEU A 50 -10.382 0.802 -0.673 1.00 63.20 C ATOM 0 H LEU A 50 -10.868 -1.607 3.418 1.00 34.02 H new ATOM 0 HA LEU A 50 -8.717 0.206 3.249 1.00 51.33 H new ATOM 0 HB2 LEU A 50 -9.729 -0.956 1.340 1.00 64.12 H new ATOM 0 HB3 LEU A 50 -11.271 -0.179 1.640 1.00 64.12 H new ATOM 0 HG LEU A 50 -10.253 2.018 1.078 1.00 54.10 H new ATOM 0 HD11 LEU A 50 -8.080 2.086 -0.063 1.00 25.02 H new ATOM 0 HD12 LEU A 50 -7.933 1.547 1.627 1.00 25.02 H new ATOM 0 HD13 LEU A 50 -7.841 0.361 0.303 1.00 25.02 H new ATOM 0 HD21 LEU A 50 -10.107 1.607 -1.355 1.00 63.20 H new ATOM 0 HD22 LEU A 50 -9.977 -0.140 -1.042 1.00 63.20 H new ATOM 0 HD23 LEU A 50 -11.468 0.732 -0.614 1.00 63.20 H new ATOM 730 N ARG A 51 -11.653 1.497 3.998 1.00 5.14 N ATOM 731 CA ARG A 51 -12.329 2.686 4.489 1.00 54.43 C ATOM 732 C ARG A 51 -11.918 3.104 5.900 1.00 71.44 C ATOM 733 O ARG A 51 -12.122 4.264 6.280 1.00 42.35 O ATOM 734 CB ARG A 51 -13.850 2.612 4.337 1.00 24.24 C ATOM 735 CG ARG A 51 -14.312 2.720 2.893 1.00 2.41 C ATOM 736 CD ARG A 51 -15.824 2.784 2.788 1.00 44.31 C ATOM 737 NE ARG A 51 -16.262 3.022 1.406 1.00 34.14 N ATOM 738 CZ ARG A 51 -17.202 3.906 1.028 1.00 12.42 C ATOM 739 NH1 ARG A 51 -17.763 4.712 1.919 1.00 24.04 N ATOM 740 NH2 ARG A 51 -17.549 4.004 -0.251 1.00 61.34 N ATOM 0 H ARG A 51 -12.255 0.677 3.918 1.00 5.14 H new ATOM 0 HA ARG A 51 -11.979 3.484 3.834 1.00 54.43 H new ATOM 0 HB2 ARG A 51 -14.205 1.671 4.756 1.00 24.24 H new ATOM 0 HB3 ARG A 51 -14.306 3.413 4.919 1.00 24.24 H new ATOM 0 HG2 ARG A 51 -13.878 3.611 2.438 1.00 2.41 H new ATOM 0 HG3 ARG A 51 -13.945 1.863 2.329 1.00 2.41 H new ATOM 0 HD2 ARG A 51 -16.254 1.850 3.151 1.00 44.31 H new ATOM 0 HD3 ARG A 51 -16.200 3.579 3.431 1.00 44.31 H new ATOM 0 HE ARG A 51 -15.816 2.471 0.673 1.00 34.14 H new ATOM 0 HH11 ARG A 51 -17.482 4.664 2.898 1.00 24.04 H new ATOM 0 HH12 ARG A 51 -18.475 5.380 1.625 1.00 24.04 H new ATOM 0 HH21 ARG A 51 -17.102 3.408 -0.948 1.00 61.34 H new ATOM 0 HH22 ARG A 51 -18.262 4.675 -0.536 1.00 61.34 H new ATOM 754 N GLU A 52 -11.372 2.189 6.687 1.00 64.12 N ATOM 755 CA GLU A 52 -10.951 2.551 8.028 1.00 43.02 C ATOM 756 C GLU A 52 -9.464 2.873 8.058 1.00 44.33 C ATOM 757 O GLU A 52 -8.926 3.320 9.082 1.00 2.03 O ATOM 758 CB GLU A 52 -11.271 1.441 9.025 1.00 22.34 C ATOM 759 CG GLU A 52 -12.742 1.067 9.084 1.00 31.15 C ATOM 760 CD GLU A 52 -13.643 2.216 9.438 1.00 73.05 C ATOM 761 OE1 GLU A 52 -13.797 2.522 10.639 1.00 74.53 O ATOM 762 OE2 GLU A 52 -14.235 2.818 8.532 1.00 13.33 O ATOM 0 H GLU A 52 -11.214 1.215 6.428 1.00 64.12 H new ATOM 0 HA GLU A 52 -11.507 3.442 8.320 1.00 43.02 H new ATOM 0 HB2 GLU A 52 -10.692 0.555 8.765 1.00 22.34 H new ATOM 0 HB3 GLU A 52 -10.946 1.754 10.017 1.00 22.34 H new ATOM 0 HG2 GLU A 52 -13.044 0.664 8.117 1.00 31.15 H new ATOM 0 HG3 GLU A 52 -12.877 0.272 9.817 1.00 31.15 H new ATOM 769 N GLY A 53 -8.807 2.679 6.931 1.00 41.02 N ATOM 770 CA GLY A 53 -7.382 2.899 6.856 1.00 22.15 C ATOM 771 C GLY A 53 -6.625 1.767 7.494 1.00 33.10 C ATOM 772 O GLY A 53 -5.620 1.974 8.175 1.00 21.12 O ATOM 0 H GLY A 53 -9.238 2.371 6.060 1.00 41.02 H new ATOM 0 HA2 GLY A 53 -7.081 3.000 5.813 1.00 22.15 H new ATOM 0 HA3 GLY A 53 -7.129 3.836 7.353 1.00 22.15 H new ATOM 776 N HIS A 54 -7.145 0.580 7.322 1.00 20.50 N ATOM 777 CA HIS A 54 -6.529 -0.619 7.844 1.00 70.20 C ATOM 778 C HIS A 54 -5.914 -1.389 6.674 1.00 63.43 C ATOM 779 O HIS A 54 -5.224 -2.387 6.848 1.00 44.25 O ATOM 780 CB HIS A 54 -7.599 -1.459 8.592 1.00 5.13 C ATOM 781 CG HIS A 54 -7.089 -2.694 9.290 1.00 54.21 C ATOM 782 ND1 HIS A 54 -7.737 -3.910 9.270 1.00 61.51 N ATOM 783 CD2 HIS A 54 -5.992 -2.873 10.066 1.00 14.34 C ATOM 784 CE1 HIS A 54 -7.035 -4.769 10.011 1.00 21.22 C ATOM 785 NE2 HIS A 54 -5.962 -4.191 10.524 1.00 60.55 N ATOM 0 H HIS A 54 -8.013 0.413 6.813 1.00 20.50 H new ATOM 0 HA HIS A 54 -5.740 -0.381 8.557 1.00 70.20 H new ATOM 0 HB2 HIS A 54 -8.084 -0.821 9.330 1.00 5.13 H new ATOM 0 HB3 HIS A 54 -8.365 -1.758 7.877 1.00 5.13 H new ATOM 0 HD1 HIS A 54 -8.604 -4.118 8.774 1.00 61.51 H new ATOM 0 HD2 HIS A 54 -5.257 -2.115 10.294 1.00 14.34 H new ATOM 0 HE1 HIS A 54 -7.308 -5.802 10.171 1.00 21.22 H new ATOM 793 N LEU A 55 -6.157 -0.884 5.482 1.00 41.03 N ATOM 794 CA LEU A 55 -5.663 -1.468 4.270 1.00 12.02 C ATOM 795 C LEU A 55 -5.664 -0.364 3.220 1.00 23.21 C ATOM 796 O LEU A 55 -6.444 0.584 3.341 1.00 41.15 O ATOM 797 CB LEU A 55 -6.570 -2.643 3.859 1.00 22.00 C ATOM 798 CG LEU A 55 -6.096 -3.531 2.703 1.00 73.23 C ATOM 799 CD1 LEU A 55 -4.729 -4.139 3.009 1.00 32.13 C ATOM 800 CD2 LEU A 55 -7.113 -4.631 2.453 1.00 62.52 C ATOM 0 H LEU A 55 -6.714 -0.042 5.335 1.00 41.03 H new ATOM 0 HA LEU A 55 -4.655 -1.866 4.389 1.00 12.02 H new ATOM 0 HB2 LEU A 55 -6.715 -3.278 4.733 1.00 22.00 H new ATOM 0 HB3 LEU A 55 -7.546 -2.238 3.594 1.00 22.00 H new ATOM 0 HG LEU A 55 -6.001 -2.916 1.808 1.00 73.23 H new ATOM 0 HD11 LEU A 55 -4.414 -4.765 2.174 1.00 32.13 H new ATOM 0 HD12 LEU A 55 -4.001 -3.341 3.159 1.00 32.13 H new ATOM 0 HD13 LEU A 55 -4.794 -4.745 3.912 1.00 32.13 H new ATOM 0 HD21 LEU A 55 -6.773 -5.261 1.631 1.00 62.52 H new ATOM 0 HD22 LEU A 55 -7.222 -5.237 3.353 1.00 62.52 H new ATOM 0 HD23 LEU A 55 -8.074 -4.186 2.196 1.00 62.52 H new ATOM 812 N VAL A 56 -4.800 -0.468 2.224 1.00 35.40 N ATOM 813 CA VAL A 56 -4.653 0.565 1.198 1.00 74.20 C ATOM 814 C VAL A 56 -4.734 -0.088 -0.180 1.00 12.15 C ATOM 815 O VAL A 56 -4.302 -1.233 -0.348 1.00 65.25 O ATOM 816 CB VAL A 56 -3.275 1.312 1.345 1.00 21.22 C ATOM 817 CG1 VAL A 56 -3.059 2.355 0.255 1.00 3.32 C ATOM 818 CG2 VAL A 56 -3.157 1.974 2.701 1.00 63.33 C ATOM 0 H VAL A 56 -4.179 -1.268 2.099 1.00 35.40 H new ATOM 0 HA VAL A 56 -5.453 1.296 1.318 1.00 74.20 H new ATOM 0 HB VAL A 56 -2.503 0.550 1.242 1.00 21.22 H new ATOM 0 HG11 VAL A 56 -2.094 2.841 0.402 1.00 3.32 H new ATOM 0 HG12 VAL A 56 -3.076 1.870 -0.721 1.00 3.32 H new ATOM 0 HG13 VAL A 56 -3.852 3.101 0.303 1.00 3.32 H new ATOM 0 HG21 VAL A 56 -2.196 2.482 2.775 1.00 63.33 H new ATOM 0 HG22 VAL A 56 -3.962 2.699 2.823 1.00 63.33 H new ATOM 0 HG23 VAL A 56 -3.229 1.218 3.483 1.00 63.33 H new ATOM 828 N ALA A 57 -5.278 0.629 -1.141 1.00 20.55 N ATOM 829 CA ALA A 57 -5.441 0.141 -2.482 1.00 3.03 C ATOM 830 C ALA A 57 -5.046 1.229 -3.463 1.00 72.33 C ATOM 831 O ALA A 57 -5.135 2.410 -3.146 1.00 62.20 O ATOM 832 CB ALA A 57 -6.885 -0.278 -2.717 1.00 21.34 C ATOM 0 H ALA A 57 -5.622 1.579 -1.004 1.00 20.55 H new ATOM 0 HA ALA A 57 -4.801 -0.729 -2.630 1.00 3.03 H new ATOM 0 HB1 ALA A 57 -6.996 -0.646 -3.737 1.00 21.34 H new ATOM 0 HB2 ALA A 57 -7.154 -1.068 -2.015 1.00 21.34 H new ATOM 0 HB3 ALA A 57 -7.542 0.579 -2.567 1.00 21.34 H new ATOM 838 N VAL A 58 -4.621 0.821 -4.630 1.00 1.20 N ATOM 839 CA VAL A 58 -4.205 1.718 -5.699 1.00 61.42 C ATOM 840 C VAL A 58 -4.907 1.349 -6.971 1.00 53.55 C ATOM 841 O VAL A 58 -5.526 0.285 -7.056 1.00 51.41 O ATOM 842 CB VAL A 58 -2.670 1.766 -5.940 1.00 13.23 C ATOM 843 CG1 VAL A 58 -1.984 2.542 -4.838 1.00 20.35 C ATOM 844 CG2 VAL A 58 -2.084 0.360 -6.057 1.00 4.15 C ATOM 0 H VAL A 58 -4.549 -0.166 -4.879 1.00 1.20 H new ATOM 0 HA VAL A 58 -4.486 2.720 -5.374 1.00 61.42 H new ATOM 0 HB VAL A 58 -2.494 2.279 -6.885 1.00 13.23 H new ATOM 0 HG11 VAL A 58 -0.910 2.565 -5.023 1.00 20.35 H new ATOM 0 HG12 VAL A 58 -2.370 3.561 -4.816 1.00 20.35 H new ATOM 0 HG13 VAL A 58 -2.176 2.060 -3.879 1.00 20.35 H new ATOM 0 HG21 VAL A 58 -1.009 0.427 -6.225 1.00 4.15 H new ATOM 0 HG22 VAL A 58 -2.274 -0.191 -5.136 1.00 4.15 H new ATOM 0 HG23 VAL A 58 -2.551 -0.160 -6.894 1.00 4.15 H new ATOM 854 N ARG A 59 -4.828 2.196 -7.953 1.00 31.24 N ATOM 855 CA ARG A 59 -5.520 1.955 -9.177 1.00 13.25 C ATOM 856 C ARG A 59 -4.504 1.601 -10.239 1.00 24.54 C ATOM 857 O ARG A 59 -3.605 2.375 -10.550 1.00 40.12 O ATOM 858 CB ARG A 59 -6.340 3.188 -9.580 1.00 2.24 C ATOM 859 CG ARG A 59 -7.283 2.956 -10.748 1.00 54.50 C ATOM 860 CD ARG A 59 -8.036 4.221 -11.115 1.00 72.43 C ATOM 861 NE ARG A 59 -9.027 3.983 -12.170 1.00 30.25 N ATOM 862 CZ ARG A 59 -9.115 4.672 -13.323 1.00 55.04 C ATOM 863 NH1 ARG A 59 -8.272 5.676 -13.578 1.00 23.33 N ATOM 864 NH2 ARG A 59 -10.060 4.363 -14.210 1.00 20.24 N ATOM 0 H ARG A 59 -4.289 3.062 -7.927 1.00 31.24 H new ATOM 0 HA ARG A 59 -6.219 1.127 -9.057 1.00 13.25 H new ATOM 0 HB2 ARG A 59 -6.921 3.521 -8.720 1.00 2.24 H new ATOM 0 HB3 ARG A 59 -5.656 3.997 -9.835 1.00 2.24 H new ATOM 0 HG2 ARG A 59 -6.716 2.606 -11.611 1.00 54.50 H new ATOM 0 HG3 ARG A 59 -7.993 2.170 -10.493 1.00 54.50 H new ATOM 0 HD2 ARG A 59 -8.536 4.615 -10.230 1.00 72.43 H new ATOM 0 HD3 ARG A 59 -7.329 4.981 -11.447 1.00 72.43 H new ATOM 0 HE ARG A 59 -9.704 3.235 -12.018 1.00 30.25 H new ATOM 0 HH11 ARG A 59 -7.555 5.925 -12.897 1.00 23.33 H new ATOM 0 HH12 ARG A 59 -8.345 6.193 -14.454 1.00 23.33 H new ATOM 0 HH21 ARG A 59 -10.715 3.606 -14.015 1.00 20.24 H new ATOM 0 HH22 ARG A 59 -10.129 4.884 -15.084 1.00 20.24 H new ATOM 878 N ARG A 60 -4.648 0.409 -10.734 1.00 3.43 N ATOM 879 CA ARG A 60 -3.776 -0.193 -11.700 1.00 20.24 C ATOM 880 C ARG A 60 -4.580 -0.619 -12.909 1.00 21.44 C ATOM 881 O ARG A 60 -5.564 -1.348 -12.775 1.00 32.14 O ATOM 882 CB ARG A 60 -3.100 -1.410 -11.073 1.00 74.41 C ATOM 883 CG ARG A 60 -2.519 -2.382 -12.070 1.00 61.41 C ATOM 884 CD ARG A 60 -1.904 -3.584 -11.372 1.00 30.45 C ATOM 885 NE ARG A 60 -1.423 -4.579 -12.323 1.00 30.21 N ATOM 886 CZ ARG A 60 -0.518 -5.528 -12.074 1.00 32.12 C ATOM 887 NH1 ARG A 60 0.119 -5.577 -10.900 1.00 41.23 N ATOM 888 NH2 ARG A 60 -0.242 -6.409 -13.004 1.00 30.21 N ATOM 0 H ARG A 60 -5.417 -0.203 -10.461 1.00 3.43 H new ATOM 0 HA ARG A 60 -3.017 0.525 -12.011 1.00 20.24 H new ATOM 0 HB2 ARG A 60 -2.304 -1.068 -10.411 1.00 74.41 H new ATOM 0 HB3 ARG A 60 -3.827 -1.935 -10.453 1.00 74.41 H new ATOM 0 HG2 ARG A 60 -3.299 -2.715 -12.754 1.00 61.41 H new ATOM 0 HG3 ARG A 60 -1.761 -1.880 -12.672 1.00 61.41 H new ATOM 0 HD2 ARG A 60 -1.077 -3.254 -10.743 1.00 30.45 H new ATOM 0 HD3 ARG A 60 -2.644 -4.039 -10.714 1.00 30.45 H new ATOM 0 HE ARG A 60 -1.814 -4.547 -13.265 1.00 30.21 H new ATOM 0 HH11 ARG A 60 -0.084 -4.883 -10.180 1.00 41.23 H new ATOM 0 HH12 ARG A 60 0.808 -6.308 -10.724 1.00 41.23 H new ATOM 0 HH21 ARG A 60 -0.717 -6.365 -13.906 1.00 30.21 H new ATOM 0 HH22 ARG A 60 0.448 -7.139 -12.826 1.00 30.21 H new ATOM 902 N ALA A 61 -4.186 -0.119 -14.071 1.00 42.14 N ATOM 903 CA ALA A 61 -4.797 -0.441 -15.365 1.00 52.41 C ATOM 904 C ALA A 61 -6.264 -0.019 -15.427 1.00 52.44 C ATOM 905 O ALA A 61 -7.006 -0.413 -16.328 1.00 50.24 O ATOM 906 CB ALA A 61 -4.616 -1.925 -15.704 1.00 32.14 C ATOM 0 H ALA A 61 -3.412 0.541 -14.149 1.00 42.14 H new ATOM 0 HA ALA A 61 -4.275 0.139 -16.126 1.00 52.41 H new ATOM 0 HB1 ALA A 61 -5.078 -2.137 -16.668 1.00 32.14 H new ATOM 0 HB2 ALA A 61 -3.553 -2.160 -15.752 1.00 32.14 H new ATOM 0 HB3 ALA A 61 -5.088 -2.534 -14.934 1.00 32.14 H new ATOM 912 N GLY A 62 -6.654 0.830 -14.500 1.00 34.02 N ATOM 913 CA GLY A 62 -8.013 1.278 -14.424 1.00 25.14 C ATOM 914 C GLY A 62 -8.773 0.598 -13.306 1.00 43.44 C ATOM 915 O GLY A 62 -9.857 1.051 -12.920 1.00 44.23 O ATOM 0 H GLY A 62 -6.038 1.222 -13.787 1.00 34.02 H new ATOM 0 HA2 GLY A 62 -8.031 2.357 -14.270 1.00 25.14 H new ATOM 0 HA3 GLY A 62 -8.513 1.083 -15.373 1.00 25.14 H new ATOM 919 N GLY A 63 -8.203 -0.457 -12.753 1.00 71.53 N ATOM 920 CA GLY A 63 -8.875 -1.188 -11.708 1.00 72.14 C ATOM 921 C GLY A 63 -8.305 -0.863 -10.363 1.00 32.24 C ATOM 922 O GLY A 63 -7.174 -0.416 -10.264 1.00 41.42 O ATOM 0 H GLY A 63 -7.285 -0.820 -13.010 1.00 71.53 H new ATOM 0 HA2 GLY A 63 -9.939 -0.950 -11.721 1.00 72.14 H new ATOM 0 HA3 GLY A 63 -8.785 -2.258 -11.894 1.00 72.14 H new ATOM 926 N VAL A 64 -9.068 -1.065 -9.333 1.00 73.01 N ATOM 927 CA VAL A 64 -8.596 -0.797 -7.998 1.00 12.45 C ATOM 928 C VAL A 64 -8.124 -2.102 -7.402 1.00 73.21 C ATOM 929 O VAL A 64 -8.890 -3.048 -7.277 1.00 51.14 O ATOM 930 CB VAL A 64 -9.711 -0.171 -7.106 1.00 74.35 C ATOM 931 CG1 VAL A 64 -9.207 0.082 -5.690 1.00 63.53 C ATOM 932 CG2 VAL A 64 -10.214 1.128 -7.719 1.00 1.10 C ATOM 0 H VAL A 64 -10.024 -1.416 -9.386 1.00 73.01 H new ATOM 0 HA VAL A 64 -7.782 -0.074 -8.043 1.00 12.45 H new ATOM 0 HB VAL A 64 -10.535 -0.883 -7.053 1.00 74.35 H new ATOM 0 HG11 VAL A 64 -10.007 0.519 -5.092 1.00 63.53 H new ATOM 0 HG12 VAL A 64 -8.892 -0.860 -5.242 1.00 63.53 H new ATOM 0 HG13 VAL A 64 -8.361 0.769 -5.722 1.00 63.53 H new ATOM 0 HG21 VAL A 64 -10.992 1.552 -7.084 1.00 1.10 H new ATOM 0 HG22 VAL A 64 -9.388 1.835 -7.803 1.00 1.10 H new ATOM 0 HG23 VAL A 64 -10.623 0.929 -8.710 1.00 1.10 H new ATOM 942 N VAL A 65 -6.880 -2.144 -7.042 1.00 24.24 N ATOM 943 CA VAL A 65 -6.269 -3.342 -6.548 1.00 62.15 C ATOM 944 C VAL A 65 -5.465 -3.077 -5.303 1.00 62.35 C ATOM 945 O VAL A 65 -5.027 -1.950 -5.040 1.00 34.43 O ATOM 946 CB VAL A 65 -5.352 -4.022 -7.605 1.00 33.13 C ATOM 947 CG1 VAL A 65 -6.170 -4.658 -8.711 1.00 42.22 C ATOM 948 CG2 VAL A 65 -4.390 -3.009 -8.197 1.00 33.15 C ATOM 0 H VAL A 65 -6.252 -1.341 -7.082 1.00 24.24 H new ATOM 0 HA VAL A 65 -7.090 -4.020 -6.316 1.00 62.15 H new ATOM 0 HB VAL A 65 -4.786 -4.805 -7.101 1.00 33.13 H new ATOM 0 HG11 VAL A 65 -5.502 -5.125 -9.435 1.00 42.22 H new ATOM 0 HG12 VAL A 65 -6.831 -5.414 -8.286 1.00 42.22 H new ATOM 0 HG13 VAL A 65 -6.766 -3.893 -9.209 1.00 42.22 H new ATOM 0 HG21 VAL A 65 -3.755 -3.499 -8.935 1.00 33.15 H new ATOM 0 HG22 VAL A 65 -4.954 -2.209 -8.677 1.00 33.15 H new ATOM 0 HG23 VAL A 65 -3.769 -2.590 -7.405 1.00 33.15 H new ATOM 958 N ILE A 66 -5.279 -4.109 -4.564 1.00 42.34 N ATOM 959 CA ILE A 66 -4.545 -4.102 -3.348 1.00 10.02 C ATOM 960 C ILE A 66 -3.283 -4.928 -3.596 1.00 71.32 C ATOM 961 O ILE A 66 -3.375 -6.035 -4.114 1.00 32.03 O ATOM 962 CB ILE A 66 -5.397 -4.759 -2.226 1.00 61.13 C ATOM 963 CG1 ILE A 66 -6.746 -4.018 -2.104 1.00 3.44 C ATOM 964 CG2 ILE A 66 -4.645 -4.733 -0.895 1.00 21.11 C ATOM 965 CD1 ILE A 66 -7.747 -4.666 -1.177 1.00 24.31 C ATOM 0 H ILE A 66 -5.652 -5.028 -4.801 1.00 42.34 H new ATOM 0 HA ILE A 66 -4.294 -3.088 -3.037 1.00 10.02 H new ATOM 0 HB ILE A 66 -5.585 -5.801 -2.484 1.00 61.13 H new ATOM 0 HG12 ILE A 66 -6.556 -3.002 -1.757 1.00 3.44 H new ATOM 0 HG13 ILE A 66 -7.191 -3.938 -3.096 1.00 3.44 H new ATOM 0 HG21 ILE A 66 -5.257 -5.197 -0.122 1.00 21.11 H new ATOM 0 HG22 ILE A 66 -3.709 -5.282 -0.995 1.00 21.11 H new ATOM 0 HG23 ILE A 66 -4.432 -3.701 -0.618 1.00 21.11 H new ATOM 0 HD11 ILE A 66 -8.662 -4.073 -1.157 1.00 24.31 H new ATOM 0 HD12 ILE A 66 -7.974 -5.671 -1.532 1.00 24.31 H new ATOM 0 HD13 ILE A 66 -7.329 -4.722 -0.172 1.00 24.31 H new ATOM 977 N PRO A 67 -2.099 -4.389 -3.324 1.00 1.03 N ATOM 978 CA PRO A 67 -0.841 -5.114 -3.530 1.00 62.52 C ATOM 979 C PRO A 67 -0.766 -6.409 -2.718 1.00 61.14 C ATOM 980 O PRO A 67 -0.964 -6.403 -1.505 1.00 1.42 O ATOM 981 CB PRO A 67 0.218 -4.133 -3.031 1.00 30.24 C ATOM 982 CG PRO A 67 -0.425 -2.804 -3.136 1.00 63.55 C ATOM 983 CD PRO A 67 -1.869 -3.030 -2.817 1.00 34.31 C ATOM 0 HA PRO A 67 -0.721 -5.417 -4.570 1.00 62.52 H new ATOM 0 HB2 PRO A 67 0.509 -4.353 -2.004 1.00 30.24 H new ATOM 0 HB3 PRO A 67 1.123 -4.185 -3.637 1.00 30.24 H new ATOM 0 HG2 PRO A 67 0.024 -2.095 -2.440 1.00 63.55 H new ATOM 0 HG3 PRO A 67 -0.305 -2.388 -4.136 1.00 63.55 H new ATOM 0 HD2 PRO A 67 -2.064 -2.958 -1.747 1.00 34.31 H new ATOM 0 HD3 PRO A 67 -2.512 -2.300 -3.308 1.00 34.31 H new ATOM 991 N GLN A 68 -0.442 -7.509 -3.392 1.00 4.32 N ATOM 992 CA GLN A 68 -0.325 -8.813 -2.757 1.00 65.10 C ATOM 993 C GLN A 68 0.841 -8.840 -1.783 1.00 23.22 C ATOM 994 O GLN A 68 0.846 -9.579 -0.820 1.00 11.21 O ATOM 995 CB GLN A 68 -0.191 -9.868 -3.834 1.00 42.04 C ATOM 996 CG GLN A 68 0.034 -11.283 -3.351 1.00 72.23 C ATOM 997 CD GLN A 68 -0.117 -12.290 -4.464 1.00 64.43 C ATOM 998 OE1 GLN A 68 -0.991 -12.004 -5.410 1.00 2.21 O flip ATOM 999 NE2 GLN A 68 0.520 -13.336 -4.467 1.00 75.04 N flip ATOM 0 H GLN A 68 -0.254 -7.519 -4.394 1.00 4.32 H new ATOM 0 HA GLN A 68 -1.220 -9.022 -2.172 1.00 65.10 H new ATOM 0 HB2 GLN A 68 -1.094 -9.853 -4.444 1.00 42.04 H new ATOM 0 HB3 GLN A 68 0.638 -9.591 -4.485 1.00 42.04 H new ATOM 0 HG2 GLN A 68 1.032 -11.365 -2.921 1.00 72.23 H new ATOM 0 HG3 GLN A 68 -0.676 -11.512 -2.556 1.00 72.23 H new ATOM 0 HE21 GLN A 68 1.189 -13.528 -3.721 1.00 75.04 H new ATOM 0 HE22 GLN A 68 0.382 -14.015 -5.215 1.00 75.04 H new ATOM 1008 N VAL A 69 1.798 -7.981 -2.035 1.00 64.21 N ATOM 1009 CA VAL A 69 2.969 -7.838 -1.186 1.00 0.13 C ATOM 1010 C VAL A 69 2.626 -7.221 0.199 1.00 72.11 C ATOM 1011 O VAL A 69 3.466 -7.177 1.090 1.00 32.11 O ATOM 1012 CB VAL A 69 4.081 -7.028 -1.895 1.00 44.10 C ATOM 1013 CG1 VAL A 69 4.649 -7.824 -3.065 1.00 62.41 C ATOM 1014 CG2 VAL A 69 3.532 -5.702 -2.398 1.00 2.21 C ATOM 0 H VAL A 69 1.792 -7.354 -2.839 1.00 64.21 H new ATOM 0 HA VAL A 69 3.346 -8.844 -1.001 1.00 0.13 H new ATOM 0 HB VAL A 69 4.876 -6.833 -1.175 1.00 44.10 H new ATOM 0 HG11 VAL A 69 5.430 -7.243 -3.555 1.00 62.41 H new ATOM 0 HG12 VAL A 69 5.069 -8.760 -2.698 1.00 62.41 H new ATOM 0 HG13 VAL A 69 3.854 -8.038 -3.779 1.00 62.41 H new ATOM 0 HG21 VAL A 69 4.326 -5.144 -2.894 1.00 2.21 H new ATOM 0 HG22 VAL A 69 2.723 -5.888 -3.105 1.00 2.21 H new ATOM 0 HG23 VAL A 69 3.153 -5.122 -1.556 1.00 2.21 H new ATOM 1024 N PHE A 70 1.375 -6.757 0.364 1.00 60.13 N ATOM 1025 CA PHE A 70 0.879 -6.267 1.666 1.00 62.11 C ATOM 1026 C PHE A 70 0.428 -7.452 2.516 1.00 64.24 C ATOM 1027 O PHE A 70 0.078 -7.319 3.703 1.00 13.52 O ATOM 1028 CB PHE A 70 -0.300 -5.288 1.483 1.00 31.12 C ATOM 1029 CG PHE A 70 0.082 -3.839 1.290 1.00 52.25 C ATOM 1030 CD1 PHE A 70 1.047 -3.456 0.376 1.00 71.43 C ATOM 1031 CD2 PHE A 70 -0.550 -2.853 2.039 1.00 53.23 C ATOM 1032 CE1 PHE A 70 1.376 -2.120 0.213 1.00 34.12 C ATOM 1033 CE2 PHE A 70 -0.225 -1.520 1.886 1.00 64.23 C ATOM 1034 CZ PHE A 70 0.736 -1.151 0.973 1.00 70.55 C ATOM 0 H PHE A 70 0.687 -6.710 -0.388 1.00 60.13 H new ATOM 0 HA PHE A 70 1.691 -5.736 2.163 1.00 62.11 H new ATOM 0 HB2 PHE A 70 -0.886 -5.609 0.622 1.00 31.12 H new ATOM 0 HB3 PHE A 70 -0.949 -5.361 2.355 1.00 31.12 H new ATOM 0 HD1 PHE A 70 1.549 -4.206 -0.217 1.00 71.43 H new ATOM 0 HD2 PHE A 70 -1.309 -3.135 2.754 1.00 53.23 H new ATOM 0 HE1 PHE A 70 2.130 -1.833 -0.505 1.00 34.12 H new ATOM 0 HE2 PHE A 70 -0.724 -0.769 2.481 1.00 64.23 H new ATOM 0 HZ PHE A 70 0.992 -0.109 0.848 1.00 70.55 H new ATOM 1044 N PHE A 71 0.430 -8.595 1.897 1.00 74.22 N ATOM 1045 CA PHE A 71 0.043 -9.813 2.515 1.00 62.22 C ATOM 1046 C PHE A 71 1.259 -10.693 2.640 1.00 31.10 C ATOM 1047 O PHE A 71 2.294 -10.442 2.017 1.00 4.21 O ATOM 1048 CB PHE A 71 -1.041 -10.532 1.687 1.00 43.33 C ATOM 1049 CG PHE A 71 -2.351 -9.793 1.588 1.00 72.11 C ATOM 1050 CD1 PHE A 71 -2.487 -8.691 0.757 1.00 44.05 C ATOM 1051 CD2 PHE A 71 -3.448 -10.212 2.319 1.00 1.45 C ATOM 1052 CE1 PHE A 71 -3.685 -8.022 0.663 1.00 0.43 C ATOM 1053 CE2 PHE A 71 -4.651 -9.543 2.229 1.00 53.43 C ATOM 1054 CZ PHE A 71 -4.768 -8.446 1.399 1.00 20.42 C ATOM 0 H PHE A 71 0.710 -8.701 0.922 1.00 74.22 H new ATOM 0 HA PHE A 71 -0.374 -9.600 3.499 1.00 62.22 H new ATOM 0 HB2 PHE A 71 -0.658 -10.701 0.681 1.00 43.33 H new ATOM 0 HB3 PHE A 71 -1.225 -11.512 2.127 1.00 43.33 H new ATOM 0 HD1 PHE A 71 -1.641 -8.354 0.176 1.00 44.05 H new ATOM 0 HD2 PHE A 71 -3.362 -11.072 2.967 1.00 1.45 H new ATOM 0 HE1 PHE A 71 -3.776 -7.165 0.012 1.00 0.43 H new ATOM 0 HE2 PHE A 71 -5.500 -9.877 2.807 1.00 53.43 H new ATOM 0 HZ PHE A 71 -5.709 -7.921 1.327 1.00 20.42 H new ATOM 1064 N THR A 72 1.148 -11.680 3.449 1.00 61.00 N ATOM 1065 CA THR A 72 2.190 -12.627 3.638 1.00 33.50 C ATOM 1066 C THR A 72 1.958 -13.806 2.704 1.00 13.54 C ATOM 1067 O THR A 72 0.900 -13.896 2.061 1.00 43.54 O ATOM 1068 CB THR A 72 2.194 -13.112 5.097 1.00 70.55 C ATOM 1069 OG1 THR A 72 0.877 -13.578 5.438 1.00 75.20 O ATOM 1070 CG2 THR A 72 2.594 -11.985 6.037 1.00 34.14 C ATOM 0 H THR A 72 0.316 -11.859 4.011 1.00 61.00 H new ATOM 0 HA THR A 72 3.153 -12.165 3.418 1.00 33.50 H new ATOM 0 HB THR A 72 2.918 -13.920 5.201 1.00 70.55 H new ATOM 0 HG1 THR A 72 0.255 -12.821 5.450 1.00 75.20 H new ATOM 0 HG21 THR A 72 2.590 -12.349 7.064 1.00 34.14 H new ATOM 0 HG22 THR A 72 3.593 -11.634 5.780 1.00 34.14 H new ATOM 0 HG23 THR A 72 1.885 -11.163 5.941 1.00 34.14 H new ATOM 1078 N ASN A 73 2.906 -14.727 2.661 1.00 32.43 N ATOM 1079 CA ASN A 73 2.801 -15.940 1.828 1.00 14.13 C ATOM 1080 C ASN A 73 1.663 -16.832 2.357 1.00 15.35 C ATOM 1081 O ASN A 73 1.167 -17.730 1.672 1.00 70.01 O ATOM 1082 CB ASN A 73 4.127 -16.707 1.857 1.00 71.42 C ATOM 1083 CG ASN A 73 4.194 -17.902 0.905 1.00 64.12 C ATOM 1084 OD1 ASN A 73 3.605 -17.901 -0.177 1.00 54.10 O ATOM 1085 ND2 ASN A 73 4.911 -18.921 1.304 1.00 35.41 N ATOM 0 H ASN A 73 3.772 -14.667 3.196 1.00 32.43 H new ATOM 0 HA ASN A 73 2.582 -15.654 0.799 1.00 14.13 H new ATOM 0 HB2 ASN A 73 4.935 -16.018 1.611 1.00 71.42 H new ATOM 0 HB3 ASN A 73 4.306 -17.059 2.873 1.00 71.42 H new ATOM 0 HD21 ASN A 73 4.995 -19.748 0.713 1.00 35.41 H new ATOM 0 HD22 ASN A 73 5.386 -18.888 2.206 1.00 35.41 H new ATOM 1092 N SER A 74 1.256 -16.558 3.586 1.00 72.11 N ATOM 1093 CA SER A 74 0.182 -17.261 4.238 1.00 64.13 C ATOM 1094 C SER A 74 -1.193 -16.739 3.763 1.00 51.43 C ATOM 1095 O SER A 74 -2.224 -17.300 4.108 1.00 71.45 O ATOM 1096 CB SER A 74 0.336 -17.084 5.746 1.00 2.35 C ATOM 1097 OG SER A 74 1.636 -17.488 6.160 1.00 13.40 O ATOM 0 H SER A 74 1.675 -15.827 4.161 1.00 72.11 H new ATOM 0 HA SER A 74 0.230 -18.319 3.982 1.00 64.13 H new ATOM 0 HB2 SER A 74 0.169 -16.041 6.016 1.00 2.35 H new ATOM 0 HB3 SER A 74 -0.419 -17.673 6.267 1.00 2.35 H new ATOM 0 HG SER A 74 1.723 -17.368 7.129 1.00 13.40 H new ATOM 1103 N GLY A 75 -1.196 -15.659 2.974 1.00 52.21 N ATOM 1104 CA GLY A 75 -2.442 -15.118 2.450 1.00 25.34 C ATOM 1105 C GLY A 75 -3.156 -14.238 3.451 1.00 54.15 C ATOM 1106 O GLY A 75 -4.356 -14.022 3.358 1.00 11.11 O ATOM 0 H GLY A 75 -0.358 -15.152 2.690 1.00 52.21 H new ATOM 0 HA2 GLY A 75 -2.234 -14.542 1.548 1.00 25.34 H new ATOM 0 HA3 GLY A 75 -3.098 -15.939 2.160 1.00 25.34 H new ATOM 1110 N GLN A 76 -2.419 -13.739 4.406 1.00 64.31 N ATOM 1111 CA GLN A 76 -2.976 -12.887 5.426 1.00 12.53 C ATOM 1112 C GLN A 76 -2.186 -11.605 5.472 1.00 41.52 C ATOM 1113 O GLN A 76 -1.006 -11.602 5.106 1.00 42.15 O ATOM 1114 CB GLN A 76 -2.987 -13.619 6.783 1.00 50.10 C ATOM 1115 CG GLN A 76 -1.622 -14.096 7.259 1.00 1.34 C ATOM 1116 CD GLN A 76 -1.703 -15.092 8.397 1.00 3.41 C ATOM 1117 OE1 GLN A 76 -2.667 -15.853 8.506 1.00 45.14 O ATOM 1118 NE2 GLN A 76 -0.698 -15.117 9.232 1.00 12.31 N ATOM 0 H GLN A 76 -1.418 -13.910 4.501 1.00 64.31 H new ATOM 0 HA GLN A 76 -4.012 -12.640 5.194 1.00 12.53 H new ATOM 0 HB2 GLN A 76 -3.407 -12.953 7.536 1.00 50.10 H new ATOM 0 HB3 GLN A 76 -3.653 -14.479 6.711 1.00 50.10 H new ATOM 0 HG2 GLN A 76 -1.091 -14.551 6.423 1.00 1.34 H new ATOM 0 HG3 GLN A 76 -1.034 -13.235 7.579 1.00 1.34 H new ATOM 0 HE21 GLN A 76 0.083 -14.472 9.110 1.00 12.31 H new ATOM 0 HE22 GLN A 76 -0.694 -15.782 10.006 1.00 12.31 H new ATOM 1127 N VAL A 77 -2.822 -10.530 5.885 1.00 62.23 N ATOM 1128 CA VAL A 77 -2.191 -9.209 5.925 1.00 61.14 C ATOM 1129 C VAL A 77 -1.017 -9.229 6.902 1.00 31.42 C ATOM 1130 O VAL A 77 -1.063 -9.951 7.906 1.00 62.14 O ATOM 1131 CB VAL A 77 -3.214 -8.105 6.364 1.00 54.43 C ATOM 1132 CG1 VAL A 77 -2.601 -6.706 6.309 1.00 73.54 C ATOM 1133 CG2 VAL A 77 -4.473 -8.158 5.512 1.00 61.00 C ATOM 0 H VAL A 77 -3.791 -10.537 6.204 1.00 62.23 H new ATOM 0 HA VAL A 77 -1.837 -8.972 4.922 1.00 61.14 H new ATOM 0 HB VAL A 77 -3.481 -8.314 7.400 1.00 54.43 H new ATOM 0 HG11 VAL A 77 -3.343 -5.971 6.621 1.00 73.54 H new ATOM 0 HG12 VAL A 77 -1.741 -6.659 6.977 1.00 73.54 H new ATOM 0 HG13 VAL A 77 -2.281 -6.489 5.290 1.00 73.54 H new ATOM 0 HG21 VAL A 77 -5.166 -7.382 5.838 1.00 61.00 H new ATOM 0 HG22 VAL A 77 -4.212 -7.996 4.466 1.00 61.00 H new ATOM 0 HG23 VAL A 77 -4.945 -9.134 5.621 1.00 61.00 H new ATOM 1143 N VAL A 78 0.044 -8.506 6.579 1.00 24.11 N ATOM 1144 CA VAL A 78 1.177 -8.395 7.474 1.00 62.23 C ATOM 1145 C VAL A 78 0.706 -7.723 8.760 1.00 65.02 C ATOM 1146 O VAL A 78 0.206 -6.595 8.737 1.00 54.24 O ATOM 1147 CB VAL A 78 2.320 -7.570 6.853 1.00 13.34 C ATOM 1148 CG1 VAL A 78 3.515 -7.479 7.790 1.00 11.20 C ATOM 1149 CG2 VAL A 78 2.739 -8.131 5.510 1.00 65.32 C ATOM 0 H VAL A 78 0.141 -7.990 5.705 1.00 24.11 H new ATOM 0 HA VAL A 78 1.565 -9.394 7.672 1.00 62.23 H new ATOM 0 HB VAL A 78 1.938 -6.561 6.695 1.00 13.34 H new ATOM 0 HG11 VAL A 78 4.302 -6.890 7.319 1.00 11.20 H new ATOM 0 HG12 VAL A 78 3.212 -7.001 8.721 1.00 11.20 H new ATOM 0 HG13 VAL A 78 3.889 -8.481 8.001 1.00 11.20 H new ATOM 0 HG21 VAL A 78 3.547 -7.526 5.099 1.00 65.32 H new ATOM 0 HG22 VAL A 78 3.082 -9.158 5.636 1.00 65.32 H new ATOM 0 HG23 VAL A 78 1.889 -8.114 4.827 1.00 65.32 H new ATOM 1159 N LYS A 79 0.873 -8.415 9.853 1.00 12.12 N ATOM 1160 CA LYS A 79 0.366 -8.000 11.149 1.00 4.30 C ATOM 1161 C LYS A 79 0.893 -6.624 11.584 1.00 13.12 C ATOM 1162 O LYS A 79 0.152 -5.813 12.137 1.00 61.14 O ATOM 1163 CB LYS A 79 0.710 -9.055 12.206 1.00 32.14 C ATOM 1164 CG LYS A 79 0.106 -8.787 13.572 1.00 52.15 C ATOM 1165 CD LYS A 79 -1.419 -8.872 13.527 1.00 44.02 C ATOM 1166 CE LYS A 79 -2.039 -8.590 14.879 1.00 65.54 C ATOM 1167 NZ LYS A 79 -3.512 -8.733 14.843 1.00 61.13 N ATOM 0 H LYS A 79 1.375 -9.303 9.877 1.00 12.12 H new ATOM 0 HA LYS A 79 -0.716 -7.907 11.054 1.00 4.30 H new ATOM 0 HB2 LYS A 79 0.369 -10.029 11.855 1.00 32.14 H new ATOM 0 HB3 LYS A 79 1.794 -9.113 12.306 1.00 32.14 H new ATOM 0 HG2 LYS A 79 0.492 -9.509 14.292 1.00 52.15 H new ATOM 0 HG3 LYS A 79 0.408 -7.799 13.919 1.00 52.15 H new ATOM 0 HD2 LYS A 79 -1.801 -8.159 12.796 1.00 44.02 H new ATOM 0 HD3 LYS A 79 -1.718 -9.865 13.190 1.00 44.02 H new ATOM 0 HE2 LYS A 79 -1.624 -9.274 15.620 1.00 65.54 H new ATOM 0 HE3 LYS A 79 -1.778 -7.580 15.196 1.00 65.54 H new ATOM 0 HZ1 LYS A 79 -3.903 -8.533 15.786 1.00 61.13 H new ATOM 0 HZ2 LYS A 79 -3.909 -8.063 14.154 1.00 61.13 H new ATOM 0 HZ3 LYS A 79 -3.760 -9.704 14.564 1.00 61.13 H new ATOM 1181 N SER A 80 2.140 -6.362 11.323 1.00 71.30 N ATOM 1182 CA SER A 80 2.746 -5.128 11.761 1.00 73.05 C ATOM 1183 C SER A 80 2.670 -4.025 10.682 1.00 0.13 C ATOM 1184 O SER A 80 3.179 -2.914 10.879 1.00 2.21 O ATOM 1185 CB SER A 80 4.189 -5.403 12.202 1.00 43.43 C ATOM 1186 OG SER A 80 4.795 -4.249 12.779 1.00 40.43 O ATOM 0 H SER A 80 2.763 -6.984 10.808 1.00 71.30 H new ATOM 0 HA SER A 80 2.184 -4.746 12.613 1.00 73.05 H new ATOM 0 HB2 SER A 80 4.199 -6.219 12.925 1.00 43.43 H new ATOM 0 HB3 SER A 80 4.775 -5.731 11.344 1.00 43.43 H new ATOM 0 HG SER A 80 4.375 -3.442 12.414 1.00 40.43 H new ATOM 1192 N LEU A 81 2.026 -4.324 9.569 1.00 72.32 N ATOM 1193 CA LEU A 81 1.879 -3.368 8.472 1.00 20.31 C ATOM 1194 C LEU A 81 0.994 -2.122 8.825 1.00 43.45 C ATOM 1195 O LEU A 81 1.397 -0.998 8.528 1.00 43.14 O ATOM 1196 CB LEU A 81 1.449 -4.092 7.175 1.00 71.22 C ATOM 1197 CG LEU A 81 1.233 -3.272 5.893 1.00 53.55 C ATOM 1198 CD1 LEU A 81 1.388 -4.187 4.701 1.00 53.34 C ATOM 1199 CD2 LEU A 81 -0.166 -2.661 5.854 1.00 71.05 C ATOM 0 H LEU A 81 1.590 -5.229 9.394 1.00 72.32 H new ATOM 0 HA LEU A 81 2.862 -2.934 8.291 1.00 20.31 H new ATOM 0 HB2 LEU A 81 2.202 -4.849 6.957 1.00 71.22 H new ATOM 0 HB3 LEU A 81 0.519 -4.620 7.387 1.00 71.22 H new ATOM 0 HG LEU A 81 1.967 -2.466 5.872 1.00 53.55 H new ATOM 0 HD11 LEU A 81 1.237 -3.618 3.784 1.00 53.34 H new ATOM 0 HD12 LEU A 81 2.389 -4.618 4.701 1.00 53.34 H new ATOM 0 HD13 LEU A 81 0.649 -4.987 4.758 1.00 53.34 H new ATOM 0 HD21 LEU A 81 -0.287 -2.087 4.935 1.00 71.05 H new ATOM 0 HD22 LEU A 81 -0.911 -3.456 5.886 1.00 71.05 H new ATOM 0 HD23 LEU A 81 -0.300 -2.003 6.713 1.00 71.05 H new ATOM 1211 N PRO A 82 -0.211 -2.284 9.494 1.00 11.33 N ATOM 1212 CA PRO A 82 -1.106 -1.147 9.845 1.00 74.03 C ATOM 1213 C PRO A 82 -0.410 -0.062 10.675 1.00 73.32 C ATOM 1214 O PRO A 82 -0.858 1.099 10.709 1.00 74.01 O ATOM 1215 CB PRO A 82 -2.221 -1.799 10.667 1.00 61.21 C ATOM 1216 CG PRO A 82 -2.239 -3.206 10.207 1.00 71.12 C ATOM 1217 CD PRO A 82 -0.809 -3.557 9.934 1.00 50.34 C ATOM 0 HA PRO A 82 -1.454 -0.634 8.948 1.00 74.03 H new ATOM 0 HB2 PRO A 82 -2.018 -1.732 11.736 1.00 61.21 H new ATOM 0 HB3 PRO A 82 -3.180 -1.311 10.494 1.00 61.21 H new ATOM 0 HG2 PRO A 82 -2.666 -3.861 10.966 1.00 71.12 H new ATOM 0 HG3 PRO A 82 -2.848 -3.318 9.310 1.00 71.12 H new ATOM 0 HD2 PRO A 82 -0.315 -3.944 10.825 1.00 50.34 H new ATOM 0 HD3 PRO A 82 -0.726 -4.325 9.165 1.00 50.34 H new ATOM 1225 N GLY A 83 0.681 -0.438 11.336 1.00 51.31 N ATOM 1226 CA GLY A 83 1.460 0.503 12.105 1.00 22.40 C ATOM 1227 C GLY A 83 2.007 1.607 11.226 1.00 51.54 C ATOM 1228 O GLY A 83 1.932 2.782 11.582 1.00 50.54 O ATOM 0 H GLY A 83 1.039 -1.393 11.349 1.00 51.31 H new ATOM 0 HA2 GLY A 83 0.841 0.934 12.892 1.00 22.40 H new ATOM 0 HA3 GLY A 83 2.283 -0.017 12.595 1.00 22.40 H new ATOM 1232 N LEU A 84 2.478 1.234 10.028 1.00 34.31 N ATOM 1233 CA LEU A 84 3.050 2.215 9.101 1.00 63.33 C ATOM 1234 C LEU A 84 1.949 3.135 8.604 1.00 11.20 C ATOM 1235 O LEU A 84 2.131 4.337 8.478 1.00 10.50 O ATOM 1236 CB LEU A 84 3.828 1.543 7.919 1.00 24.05 C ATOM 1237 CG LEU A 84 3.019 0.949 6.740 1.00 71.21 C ATOM 1238 CD1 LEU A 84 2.743 2.000 5.652 1.00 64.04 C ATOM 1239 CD2 LEU A 84 3.718 -0.267 6.157 1.00 15.12 C ATOM 0 H LEU A 84 2.474 0.274 9.683 1.00 34.31 H new ATOM 0 HA LEU A 84 3.791 2.805 9.640 1.00 63.33 H new ATOM 0 HB2 LEU A 84 4.513 2.286 7.509 1.00 24.05 H new ATOM 0 HB3 LEU A 84 4.439 0.743 8.337 1.00 24.05 H new ATOM 0 HG LEU A 84 2.055 0.629 7.136 1.00 71.21 H new ATOM 0 HD11 LEU A 84 2.173 1.544 4.842 1.00 64.04 H new ATOM 0 HD12 LEU A 84 2.171 2.824 6.079 1.00 64.04 H new ATOM 0 HD13 LEU A 84 3.688 2.378 5.263 1.00 64.04 H new ATOM 0 HD21 LEU A 84 3.128 -0.664 5.331 1.00 15.12 H new ATOM 0 HD22 LEU A 84 4.705 0.020 5.794 1.00 15.12 H new ATOM 0 HD23 LEU A 84 3.823 -1.031 6.928 1.00 15.12 H new ATOM 1251 N LEU A 85 0.794 2.547 8.344 1.00 13.51 N ATOM 1252 CA LEU A 85 -0.348 3.286 7.840 1.00 42.33 C ATOM 1253 C LEU A 85 -0.760 4.343 8.841 1.00 54.14 C ATOM 1254 O LEU A 85 -0.961 5.490 8.491 1.00 1.34 O ATOM 1255 CB LEU A 85 -1.533 2.347 7.567 1.00 35.33 C ATOM 1256 CG LEU A 85 -1.282 1.175 6.615 1.00 62.24 C ATOM 1257 CD1 LEU A 85 -2.547 0.346 6.450 1.00 33.30 C ATOM 1258 CD2 LEU A 85 -0.797 1.669 5.266 1.00 61.12 C ATOM 0 H LEU A 85 0.623 1.550 8.476 1.00 13.51 H new ATOM 0 HA LEU A 85 -0.059 3.762 6.903 1.00 42.33 H new ATOM 0 HB2 LEU A 85 -1.872 1.943 8.521 1.00 35.33 H new ATOM 0 HB3 LEU A 85 -2.352 2.943 7.164 1.00 35.33 H new ATOM 0 HG LEU A 85 -0.504 0.546 7.048 1.00 62.24 H new ATOM 0 HD11 LEU A 85 -2.352 -0.483 5.770 1.00 33.30 H new ATOM 0 HD12 LEU A 85 -2.855 -0.044 7.420 1.00 33.30 H new ATOM 0 HD13 LEU A 85 -3.341 0.971 6.042 1.00 33.30 H new ATOM 0 HD21 LEU A 85 -0.626 0.818 4.607 1.00 61.12 H new ATOM 0 HD22 LEU A 85 -1.550 2.323 4.826 1.00 61.12 H new ATOM 0 HD23 LEU A 85 0.134 2.222 5.394 1.00 61.12 H new ATOM 1270 N THR A 86 -0.789 3.955 10.093 1.00 61.25 N ATOM 1271 CA THR A 86 -1.235 4.832 11.163 1.00 64.11 C ATOM 1272 C THR A 86 -0.394 6.137 11.222 1.00 21.24 C ATOM 1273 O THR A 86 -0.950 7.250 11.237 1.00 44.35 O ATOM 1274 CB THR A 86 -1.215 4.084 12.521 1.00 71.42 C ATOM 1275 OG1 THR A 86 -2.020 2.875 12.407 1.00 20.14 O ATOM 1276 CG2 THR A 86 -1.787 4.954 13.637 1.00 60.24 C ATOM 0 H THR A 86 -0.506 3.026 10.405 1.00 61.25 H new ATOM 0 HA THR A 86 -2.263 5.125 10.951 1.00 64.11 H new ATOM 0 HB THR A 86 -0.181 3.839 12.766 1.00 71.42 H new ATOM 0 HG1 THR A 86 -1.527 2.201 11.894 1.00 20.14 H new ATOM 0 HG21 THR A 86 -1.760 4.404 14.577 1.00 60.24 H new ATOM 0 HG22 THR A 86 -1.192 5.862 13.731 1.00 60.24 H new ATOM 0 HG23 THR A 86 -2.818 5.218 13.400 1.00 60.24 H new ATOM 1284 N ILE A 87 0.923 5.997 11.168 1.00 13.10 N ATOM 1285 CA ILE A 87 1.805 7.151 11.219 1.00 30.32 C ATOM 1286 C ILE A 87 1.681 8.025 9.944 1.00 44.24 C ATOM 1287 O ILE A 87 1.541 9.253 10.045 1.00 22.14 O ATOM 1288 CB ILE A 87 3.300 6.740 11.601 1.00 11.32 C ATOM 1289 CG1 ILE A 87 4.322 7.924 11.609 1.00 45.35 C ATOM 1290 CG2 ILE A 87 3.815 5.573 10.769 1.00 35.54 C ATOM 1291 CD1 ILE A 87 4.866 8.353 10.247 1.00 20.51 C ATOM 0 H ILE A 87 1.401 5.100 11.089 1.00 13.10 H new ATOM 0 HA ILE A 87 1.476 7.795 12.035 1.00 30.32 H new ATOM 0 HB ILE A 87 3.227 6.411 12.637 1.00 11.32 H new ATOM 0 HG12 ILE A 87 3.844 8.786 12.074 1.00 45.35 H new ATOM 0 HG13 ILE A 87 5.164 7.646 12.242 1.00 45.35 H new ATOM 0 HG21 ILE A 87 4.835 5.334 11.069 1.00 35.54 H new ATOM 0 HG22 ILE A 87 3.177 4.703 10.928 1.00 35.54 H new ATOM 0 HG23 ILE A 87 3.801 5.845 9.713 1.00 35.54 H new ATOM 0 HD11 ILE A 87 5.564 9.180 10.378 1.00 20.51 H new ATOM 0 HD12 ILE A 87 5.382 7.514 9.780 1.00 20.51 H new ATOM 0 HD13 ILE A 87 4.041 8.672 9.610 1.00 20.51 H new ATOM 1303 N LEU A 88 1.686 7.402 8.767 1.00 14.10 N ATOM 1304 CA LEU A 88 1.574 8.151 7.504 1.00 65.23 C ATOM 1305 C LEU A 88 0.221 8.817 7.310 1.00 25.12 C ATOM 1306 O LEU A 88 0.152 9.931 6.780 1.00 23.00 O ATOM 1307 CB LEU A 88 1.923 7.322 6.276 1.00 40.54 C ATOM 1308 CG LEU A 88 3.408 7.090 5.947 1.00 23.21 C ATOM 1309 CD1 LEU A 88 4.168 8.397 5.804 1.00 32.12 C ATOM 1310 CD2 LEU A 88 4.079 6.195 6.939 1.00 43.53 C ATOM 0 H LEU A 88 1.765 6.391 8.655 1.00 14.10 H new ATOM 0 HA LEU A 88 2.322 8.938 7.602 1.00 65.23 H new ATOM 0 HB2 LEU A 88 1.452 6.346 6.390 1.00 40.54 H new ATOM 0 HB3 LEU A 88 1.462 7.799 5.411 1.00 40.54 H new ATOM 0 HG LEU A 88 3.428 6.582 4.983 1.00 23.21 H new ATOM 0 HD11 LEU A 88 5.212 8.187 5.572 1.00 32.12 H new ATOM 0 HD12 LEU A 88 3.729 8.987 5.000 1.00 32.12 H new ATOM 0 HD13 LEU A 88 4.109 8.956 6.738 1.00 32.12 H new ATOM 0 HD21 LEU A 88 5.125 6.063 6.661 1.00 43.53 H new ATOM 0 HD22 LEU A 88 4.021 6.643 7.931 1.00 43.53 H new ATOM 0 HD23 LEU A 88 3.582 5.225 6.949 1.00 43.53 H new ATOM 1322 N HIS A 89 -0.844 8.146 7.719 1.00 44.53 N ATOM 1323 CA HIS A 89 -2.193 8.711 7.614 1.00 15.12 C ATOM 1324 C HIS A 89 -2.290 9.994 8.405 1.00 63.20 C ATOM 1325 O HIS A 89 -2.796 11.005 7.915 1.00 5.23 O ATOM 1326 CB HIS A 89 -3.270 7.722 8.084 1.00 30.33 C ATOM 1327 CG HIS A 89 -3.682 6.687 7.072 1.00 12.33 C ATOM 1328 ND1 HIS A 89 -4.994 6.386 6.797 1.00 13.52 N ATOM 1329 CD2 HIS A 89 -2.943 5.841 6.308 1.00 30.52 C ATOM 1330 CE1 HIS A 89 -5.014 5.390 5.909 1.00 72.42 C ATOM 1331 NE2 HIS A 89 -3.794 5.021 5.578 1.00 71.52 N ATOM 0 H HIS A 89 -0.808 7.212 8.127 1.00 44.53 H new ATOM 0 HA HIS A 89 -2.374 8.921 6.560 1.00 15.12 H new ATOM 0 HB2 HIS A 89 -2.905 7.210 8.974 1.00 30.33 H new ATOM 0 HB3 HIS A 89 -4.153 8.287 8.381 1.00 30.33 H new ATOM 0 HD2 HIS A 89 -1.864 5.811 6.274 1.00 30.52 H new ATOM 0 HE1 HIS A 89 -5.914 4.944 5.513 1.00 72.42 H new ATOM 0 HE2 HIS A 89 -3.529 4.286 4.922 1.00 71.52 H new ATOM 1339 N ASP A 90 -1.760 9.972 9.611 1.00 5.13 N ATOM 1340 CA ASP A 90 -1.759 11.156 10.460 1.00 2.04 C ATOM 1341 C ASP A 90 -0.780 12.215 9.927 1.00 51.23 C ATOM 1342 O ASP A 90 -0.990 13.421 10.099 1.00 4.11 O ATOM 1343 CB ASP A 90 -1.434 10.783 11.909 1.00 23.14 C ATOM 1344 CG ASP A 90 -1.339 11.988 12.826 1.00 73.12 C ATOM 1345 OD1 ASP A 90 -2.380 12.643 13.106 1.00 61.52 O ATOM 1346 OD2 ASP A 90 -0.212 12.317 13.261 1.00 31.42 O ATOM 0 H ASP A 90 -1.324 9.150 10.029 1.00 5.13 H new ATOM 0 HA ASP A 90 -2.759 11.589 10.440 1.00 2.04 H new ATOM 0 HB2 ASP A 90 -2.202 10.107 12.285 1.00 23.14 H new ATOM 0 HB3 ASP A 90 -0.490 10.239 11.935 1.00 23.14 H new ATOM 1351 N GLY A 91 0.253 11.756 9.224 1.00 5.51 N ATOM 1352 CA GLY A 91 1.244 12.656 8.660 1.00 73.23 C ATOM 1353 C GLY A 91 0.775 13.307 7.364 1.00 64.24 C ATOM 1354 O GLY A 91 1.427 14.209 6.846 1.00 61.32 O ATOM 0 H GLY A 91 0.421 10.768 9.034 1.00 5.51 H new ATOM 0 HA2 GLY A 91 1.480 13.433 9.388 1.00 73.23 H new ATOM 0 HA3 GLY A 91 2.165 12.104 8.472 1.00 73.23 H new ATOM 1358 N GLY A 92 -0.342 12.833 6.839 1.00 34.10 N ATOM 1359 CA GLY A 92 -0.928 13.425 5.657 1.00 32.43 C ATOM 1360 C GLY A 92 -0.329 12.916 4.361 1.00 70.44 C ATOM 1361 O GLY A 92 -0.042 13.708 3.450 1.00 63.20 O ATOM 0 H GLY A 92 -0.859 12.039 7.216 1.00 34.10 H new ATOM 0 HA2 GLY A 92 -2.000 13.226 5.655 1.00 32.43 H new ATOM 0 HA3 GLY A 92 -0.805 14.507 5.704 1.00 32.43 H new ATOM 1365 N TYR A 93 -0.132 11.619 4.264 1.00 74.41 N ATOM 1366 CA TYR A 93 0.391 11.016 3.052 1.00 23.32 C ATOM 1367 C TYR A 93 -0.642 10.128 2.388 1.00 44.34 C ATOM 1368 O TYR A 93 -1.369 9.404 3.056 1.00 21.53 O ATOM 1369 CB TYR A 93 1.694 10.262 3.306 1.00 12.44 C ATOM 1370 CG TYR A 93 2.880 11.171 3.530 1.00 32.13 C ATOM 1371 CD1 TYR A 93 3.210 11.641 4.791 1.00 61.54 C ATOM 1372 CD2 TYR A 93 3.669 11.560 2.463 1.00 3.23 C ATOM 1373 CE1 TYR A 93 4.294 12.473 4.971 1.00 54.04 C ATOM 1374 CE2 TYR A 93 4.751 12.389 2.631 1.00 34.53 C ATOM 1375 CZ TYR A 93 5.061 12.846 3.882 1.00 22.52 C ATOM 1376 OH TYR A 93 6.159 13.671 4.052 1.00 52.21 O ATOM 0 H TYR A 93 -0.327 10.956 5.014 1.00 74.41 H new ATOM 0 HA TYR A 93 0.622 11.829 2.363 1.00 23.32 H new ATOM 0 HB2 TYR A 93 1.569 9.619 4.177 1.00 12.44 H new ATOM 0 HB3 TYR A 93 1.900 9.611 2.456 1.00 12.44 H new ATOM 0 HD1 TYR A 93 2.611 11.352 5.642 1.00 61.54 H new ATOM 0 HD2 TYR A 93 3.428 11.203 1.473 1.00 3.23 H new ATOM 0 HE1 TYR A 93 4.544 12.832 5.958 1.00 54.04 H new ATOM 0 HE2 TYR A 93 5.352 12.678 1.782 1.00 34.53 H new ATOM 0 HH TYR A 93 6.958 13.125 4.203 1.00 52.21 H new ATOM 1386 N ARG A 94 -0.697 10.203 1.078 1.00 72.31 N ATOM 1387 CA ARG A 94 -1.680 9.473 0.284 1.00 75.24 C ATOM 1388 C ARG A 94 -1.140 8.090 -0.112 1.00 25.44 C ATOM 1389 O ARG A 94 0.053 7.810 0.048 1.00 12.44 O ATOM 1390 CB ARG A 94 -2.059 10.282 -0.968 1.00 3.55 C ATOM 1391 CG ARG A 94 -1.047 10.204 -2.096 1.00 52.21 C ATOM 1392 CD ARG A 94 -1.170 11.374 -3.049 1.00 32.55 C ATOM 1393 NE ARG A 94 -0.599 12.582 -2.438 1.00 31.11 N ATOM 1394 CZ ARG A 94 -0.497 13.783 -3.014 1.00 72.15 C ATOM 1395 NH1 ARG A 94 -1.156 14.049 -4.148 1.00 20.51 N ATOM 1396 NH2 ARG A 94 0.232 14.740 -2.416 1.00 43.02 N ATOM 0 H ARG A 94 -0.060 10.774 0.522 1.00 72.31 H new ATOM 0 HA ARG A 94 -2.574 9.328 0.890 1.00 75.24 H new ATOM 0 HB2 ARG A 94 -3.022 9.929 -1.336 1.00 3.55 H new ATOM 0 HB3 ARG A 94 -2.189 11.326 -0.685 1.00 3.55 H new ATOM 0 HG2 ARG A 94 -0.040 10.180 -1.679 1.00 52.21 H new ATOM 0 HG3 ARG A 94 -1.187 9.273 -2.645 1.00 52.21 H new ATOM 0 HD2 ARG A 94 -0.653 11.149 -3.982 1.00 32.55 H new ATOM 0 HD3 ARG A 94 -2.218 11.543 -3.297 1.00 32.55 H new ATOM 0 HE ARG A 94 -0.247 12.496 -1.484 1.00 31.11 H new ATOM 0 HH11 ARG A 94 -1.741 13.332 -4.578 1.00 20.51 H new ATOM 0 HH12 ARG A 94 -1.073 14.968 -4.582 1.00 20.51 H new ATOM 0 HH21 ARG A 94 0.701 14.546 -1.531 1.00 43.02 H new ATOM 0 HH22 ARG A 94 0.317 15.661 -2.847 1.00 43.02 H new ATOM 1410 N ASP A 95 -2.010 7.281 -0.694 1.00 45.11 N ATOM 1411 CA ASP A 95 -1.745 5.880 -1.094 1.00 22.32 C ATOM 1412 C ASP A 95 -0.515 5.756 -1.992 1.00 70.20 C ATOM 1413 O ASP A 95 0.359 4.907 -1.757 1.00 74.25 O ATOM 1414 CB ASP A 95 -2.975 5.345 -1.867 1.00 21.01 C ATOM 1415 CG ASP A 95 -3.300 6.205 -3.092 1.00 30.22 C ATOM 1416 OD1 ASP A 95 -3.781 7.346 -2.908 1.00 71.53 O ATOM 1417 OD2 ASP A 95 -2.976 5.803 -4.233 1.00 42.45 O ATOM 0 H ASP A 95 -2.960 7.579 -0.916 1.00 45.11 H new ATOM 0 HA ASP A 95 -1.558 5.304 -0.188 1.00 22.32 H new ATOM 0 HB2 ASP A 95 -2.786 4.319 -2.184 1.00 21.01 H new ATOM 0 HB3 ASP A 95 -3.838 5.320 -1.202 1.00 21.01 H new ATOM 1422 N THR A 96 -0.429 6.630 -2.961 1.00 53.25 N ATOM 1423 CA THR A 96 0.635 6.643 -3.907 1.00 63.35 C ATOM 1424 C THR A 96 1.962 6.953 -3.195 1.00 1.31 C ATOM 1425 O THR A 96 2.983 6.315 -3.441 1.00 45.35 O ATOM 1426 CB THR A 96 0.327 7.681 -4.993 1.00 24.51 C ATOM 1427 OG1 THR A 96 -1.034 7.470 -5.488 1.00 23.11 O ATOM 1428 CG2 THR A 96 1.311 7.558 -6.142 1.00 34.35 C ATOM 0 H THR A 96 -1.118 7.367 -3.110 1.00 53.25 H new ATOM 0 HA THR A 96 0.731 5.665 -4.379 1.00 63.35 H new ATOM 0 HB THR A 96 0.416 8.679 -4.565 1.00 24.51 H new ATOM 0 HG1 THR A 96 -1.482 6.796 -4.935 1.00 23.11 H new ATOM 0 HG21 THR A 96 1.077 8.302 -6.903 1.00 34.35 H new ATOM 0 HG22 THR A 96 2.323 7.722 -5.773 1.00 34.35 H new ATOM 0 HG23 THR A 96 1.240 6.561 -6.576 1.00 34.35 H new ATOM 1436 N GLU A 97 1.906 7.894 -2.264 1.00 53.22 N ATOM 1437 CA GLU A 97 3.072 8.308 -1.513 1.00 20.42 C ATOM 1438 C GLU A 97 3.572 7.193 -0.631 1.00 21.22 C ATOM 1439 O GLU A 97 4.769 6.985 -0.530 1.00 25.40 O ATOM 1440 CB GLU A 97 2.779 9.540 -0.687 1.00 41.55 C ATOM 1441 CG GLU A 97 2.483 10.756 -1.518 1.00 42.35 C ATOM 1442 CD GLU A 97 2.101 11.939 -0.690 1.00 12.10 C ATOM 1443 OE1 GLU A 97 0.921 12.029 -0.273 1.00 64.13 O ATOM 1444 OE2 GLU A 97 2.955 12.808 -0.459 1.00 52.25 O ATOM 0 H GLU A 97 1.050 8.389 -2.012 1.00 53.22 H new ATOM 0 HA GLU A 97 3.854 8.555 -2.231 1.00 20.42 H new ATOM 0 HB2 GLU A 97 1.929 9.338 -0.035 1.00 41.55 H new ATOM 0 HB3 GLU A 97 3.633 9.748 -0.042 1.00 41.55 H new ATOM 0 HG2 GLU A 97 3.359 11.004 -2.117 1.00 42.35 H new ATOM 0 HG3 GLU A 97 1.675 10.528 -2.214 1.00 42.35 H new ATOM 1451 N ILE A 98 2.643 6.444 -0.039 1.00 42.03 N ATOM 1452 CA ILE A 98 3.000 5.339 0.857 1.00 14.44 C ATOM 1453 C ILE A 98 3.814 4.323 0.076 1.00 72.22 C ATOM 1454 O ILE A 98 4.885 3.888 0.497 1.00 72.30 O ATOM 1455 CB ILE A 98 1.741 4.588 1.424 1.00 52.51 C ATOM 1456 CG1 ILE A 98 0.721 5.532 2.056 1.00 24.31 C ATOM 1457 CG2 ILE A 98 2.141 3.527 2.429 1.00 2.34 C ATOM 1458 CD1 ILE A 98 1.281 6.468 3.085 1.00 74.13 C ATOM 0 H ILE A 98 1.639 6.580 -0.161 1.00 42.03 H new ATOM 0 HA ILE A 98 3.555 5.769 1.691 1.00 14.44 H new ATOM 0 HB ILE A 98 1.265 4.114 0.566 1.00 52.51 H new ATOM 0 HG12 ILE A 98 0.254 6.121 1.266 1.00 24.31 H new ATOM 0 HG13 ILE A 98 -0.066 4.936 2.518 1.00 24.31 H new ATOM 0 HG21 ILE A 98 1.249 3.025 2.803 1.00 2.34 H new ATOM 0 HG22 ILE A 98 2.793 2.798 1.948 1.00 2.34 H new ATOM 0 HG23 ILE A 98 2.670 3.994 3.260 1.00 2.34 H new ATOM 0 HD11 ILE A 98 0.482 7.098 3.477 1.00 74.13 H new ATOM 0 HD12 ILE A 98 1.721 5.892 3.899 1.00 74.13 H new ATOM 0 HD13 ILE A 98 2.047 7.095 2.628 1.00 74.13 H new ATOM 1470 N MET A 99 3.316 3.998 -1.086 1.00 62.22 N ATOM 1471 CA MET A 99 3.934 3.012 -1.920 1.00 62.12 C ATOM 1472 C MET A 99 5.202 3.512 -2.596 1.00 35.34 C ATOM 1473 O MET A 99 6.009 2.711 -3.037 1.00 23.33 O ATOM 1474 CB MET A 99 2.942 2.444 -2.915 1.00 41.31 C ATOM 1475 CG MET A 99 1.744 1.838 -2.227 1.00 55.21 C ATOM 1476 SD MET A 99 0.660 0.933 -3.322 1.00 63.22 S ATOM 1477 CE MET A 99 -0.659 0.562 -2.168 1.00 21.20 C ATOM 0 H MET A 99 2.470 4.411 -1.478 1.00 62.22 H new ATOM 0 HA MET A 99 4.253 2.201 -1.266 1.00 62.12 H new ATOM 0 HB2 MET A 99 2.613 3.233 -3.591 1.00 41.31 H new ATOM 0 HB3 MET A 99 3.433 1.686 -3.525 1.00 41.31 H new ATOM 0 HG2 MET A 99 2.090 1.169 -1.439 1.00 55.21 H new ATOM 0 HG3 MET A 99 1.175 2.632 -1.743 1.00 55.21 H new ATOM 0 HE1 MET A 99 -1.492 0.104 -2.702 1.00 21.20 H new ATOM 0 HE2 MET A 99 -0.293 -0.127 -1.407 1.00 21.20 H new ATOM 0 HE3 MET A 99 -0.996 1.483 -1.692 1.00 21.20 H new ATOM 1487 N ARG A 100 5.379 4.833 -2.659 1.00 40.41 N ATOM 1488 CA ARG A 100 6.581 5.430 -3.255 1.00 23.44 C ATOM 1489 C ARG A 100 7.837 4.917 -2.545 1.00 13.30 C ATOM 1490 O ARG A 100 8.664 4.221 -3.134 1.00 73.11 O ATOM 1491 CB ARG A 100 6.513 6.965 -3.170 1.00 72.41 C ATOM 1492 CG ARG A 100 7.756 7.681 -3.677 1.00 43.32 C ATOM 1493 CD ARG A 100 7.661 9.179 -3.449 1.00 21.43 C ATOM 1494 NE ARG A 100 8.887 9.878 -3.875 1.00 74.34 N ATOM 1495 CZ ARG A 100 8.965 11.182 -4.212 1.00 24.10 C ATOM 1496 NH1 ARG A 100 7.877 11.941 -4.214 1.00 43.23 N ATOM 1497 NH2 ARG A 100 10.136 11.712 -4.563 1.00 63.22 N ATOM 0 H ARG A 100 4.706 5.512 -2.305 1.00 40.41 H new ATOM 0 HA ARG A 100 6.629 5.140 -4.304 1.00 23.44 H new ATOM 0 HB2 ARG A 100 5.652 7.310 -3.742 1.00 72.41 H new ATOM 0 HB3 ARG A 100 6.342 7.252 -2.132 1.00 72.41 H new ATOM 0 HG2 ARG A 100 8.637 7.289 -3.169 1.00 43.32 H new ATOM 0 HG3 ARG A 100 7.886 7.480 -4.740 1.00 43.32 H new ATOM 0 HD2 ARG A 100 6.807 9.576 -3.998 1.00 21.43 H new ATOM 0 HD3 ARG A 100 7.480 9.375 -2.392 1.00 21.43 H new ATOM 0 HE ARG A 100 9.747 9.331 -3.919 1.00 74.34 H new ATOM 0 HH11 ARG A 100 6.975 11.539 -3.960 1.00 43.23 H new ATOM 0 HH12 ARG A 100 7.943 12.926 -4.470 1.00 43.23 H new ATOM 0 HH21 ARG A 100 10.975 11.132 -4.577 1.00 63.22 H new ATOM 0 HH22 ARG A 100 10.194 12.698 -4.818 1.00 63.22 H new ATOM 1511 N TRP A 101 7.953 5.251 -1.278 1.00 11.25 N ATOM 1512 CA TRP A 101 9.081 4.829 -0.473 1.00 53.11 C ATOM 1513 C TRP A 101 9.069 3.326 -0.185 1.00 3.53 C ATOM 1514 O TRP A 101 10.112 2.707 -0.056 1.00 53.22 O ATOM 1515 CB TRP A 101 9.222 5.676 0.802 1.00 1.55 C ATOM 1516 CG TRP A 101 7.966 5.799 1.601 1.00 24.32 C ATOM 1517 CD1 TRP A 101 7.038 6.785 1.499 1.00 30.34 C ATOM 1518 CD2 TRP A 101 7.499 4.916 2.615 1.00 34.11 C ATOM 1519 NE1 TRP A 101 6.028 6.576 2.385 1.00 74.43 N ATOM 1520 CE2 TRP A 101 6.283 5.428 3.085 1.00 51.12 C ATOM 1521 CE3 TRP A 101 7.986 3.737 3.167 1.00 64.52 C ATOM 1522 CZ2 TRP A 101 5.557 4.805 4.085 1.00 42.24 C ATOM 1523 CZ3 TRP A 101 7.265 3.125 4.151 1.00 53.31 C ATOM 1524 CH2 TRP A 101 6.062 3.653 4.601 1.00 65.42 C ATOM 0 H TRP A 101 7.271 5.821 -0.777 1.00 11.25 H new ATOM 0 HA TRP A 101 9.976 5.009 -1.068 1.00 53.11 H new ATOM 0 HB2 TRP A 101 9.997 5.238 1.431 1.00 1.55 H new ATOM 0 HB3 TRP A 101 9.562 6.674 0.525 1.00 1.55 H new ATOM 0 HD1 TRP A 101 7.094 7.617 0.812 1.00 30.34 H new ATOM 0 HE1 TRP A 101 5.213 7.177 2.508 1.00 74.43 H new ATOM 0 HE3 TRP A 101 8.918 3.313 2.824 1.00 64.52 H new ATOM 0 HZ2 TRP A 101 4.625 5.218 4.442 1.00 42.24 H new ATOM 0 HZ3 TRP A 101 7.638 2.211 4.589 1.00 53.31 H new ATOM 0 HH2 TRP A 101 5.516 3.138 5.377 1.00 65.42 H new ATOM 1535 N LEU A 102 7.886 2.753 -0.071 1.00 41.54 N ATOM 1536 CA LEU A 102 7.743 1.329 0.190 1.00 75.23 C ATOM 1537 C LEU A 102 8.229 0.443 -0.962 1.00 44.15 C ATOM 1538 O LEU A 102 8.834 -0.614 -0.731 1.00 1.35 O ATOM 1539 CB LEU A 102 6.305 0.983 0.553 1.00 12.31 C ATOM 1540 CG LEU A 102 5.926 0.985 2.021 1.00 3.54 C ATOM 1541 CD1 LEU A 102 4.468 0.652 2.175 1.00 73.11 C ATOM 1542 CD2 LEU A 102 6.756 -0.018 2.788 1.00 45.00 C ATOM 0 H LEU A 102 7.002 3.255 -0.156 1.00 41.54 H new ATOM 0 HA LEU A 102 8.392 1.116 1.040 1.00 75.23 H new ATOM 0 HB2 LEU A 102 5.651 1.686 0.037 1.00 12.31 H new ATOM 0 HB3 LEU A 102 6.087 -0.007 0.152 1.00 12.31 H new ATOM 0 HG LEU A 102 6.117 1.980 2.423 1.00 3.54 H new ATOM 0 HD11 LEU A 102 4.204 0.655 3.232 1.00 73.11 H new ATOM 0 HD12 LEU A 102 3.868 1.394 1.649 1.00 73.11 H new ATOM 0 HD13 LEU A 102 4.274 -0.335 1.756 1.00 73.11 H new ATOM 0 HD21 LEU A 102 6.468 -0.000 3.839 1.00 45.00 H new ATOM 0 HD22 LEU A 102 6.588 -1.016 2.382 1.00 45.00 H new ATOM 0 HD23 LEU A 102 7.812 0.238 2.697 1.00 45.00 H new ATOM 1554 N PHE A 103 7.975 0.850 -2.178 1.00 13.35 N ATOM 1555 CA PHE A 103 8.354 0.052 -3.329 1.00 65.34 C ATOM 1556 C PHE A 103 9.651 0.524 -3.954 1.00 52.42 C ATOM 1557 O PHE A 103 9.995 0.097 -5.053 1.00 31.42 O ATOM 1558 CB PHE A 103 7.245 0.023 -4.390 1.00 62.11 C ATOM 1559 CG PHE A 103 6.026 -0.792 -4.029 1.00 62.24 C ATOM 1560 CD1 PHE A 103 5.071 -0.301 -3.162 1.00 1.03 C ATOM 1561 CD2 PHE A 103 5.827 -2.038 -4.589 1.00 0.12 C ATOM 1562 CE1 PHE A 103 3.942 -1.035 -2.861 1.00 3.10 C ATOM 1563 CE2 PHE A 103 4.703 -2.776 -4.286 1.00 14.43 C ATOM 1564 CZ PHE A 103 3.758 -2.271 -3.423 1.00 43.52 C ATOM 0 H PHE A 103 7.508 1.728 -2.404 1.00 13.35 H new ATOM 0 HA PHE A 103 8.507 -0.961 -2.956 1.00 65.34 H new ATOM 0 HB2 PHE A 103 6.930 1.047 -4.591 1.00 62.11 H new ATOM 0 HB3 PHE A 103 7.662 -0.370 -5.317 1.00 62.11 H new ATOM 0 HD1 PHE A 103 5.209 0.671 -2.713 1.00 1.03 H new ATOM 0 HD2 PHE A 103 6.561 -2.439 -5.273 1.00 0.12 H new ATOM 0 HE1 PHE A 103 3.203 -0.635 -2.182 1.00 3.10 H new ATOM 0 HE2 PHE A 103 4.564 -3.752 -4.727 1.00 14.43 H new ATOM 0 HZ PHE A 103 2.875 -2.847 -3.189 1.00 43.52 H new ATOM 1574 N THR A 104 10.364 1.402 -3.296 1.00 53.42 N ATOM 1575 CA THR A 104 11.619 1.831 -3.840 1.00 71.41 C ATOM 1576 C THR A 104 12.752 0.881 -3.381 1.00 12.25 C ATOM 1577 O THR A 104 12.919 0.618 -2.187 1.00 15.15 O ATOM 1578 CB THR A 104 11.944 3.345 -3.558 1.00 61.12 C ATOM 1579 OG1 THR A 104 13.065 3.767 -4.352 1.00 14.31 O ATOM 1580 CG2 THR A 104 12.272 3.592 -2.103 1.00 54.21 C ATOM 0 H THR A 104 10.103 1.823 -2.404 1.00 53.42 H new ATOM 0 HA THR A 104 11.539 1.769 -4.925 1.00 71.41 H new ATOM 0 HB THR A 104 11.052 3.915 -3.818 1.00 61.12 H new ATOM 0 HG1 THR A 104 13.258 4.711 -4.170 1.00 14.31 H new ATOM 0 HG21 THR A 104 12.490 4.650 -1.954 1.00 54.21 H new ATOM 0 HG22 THR A 104 11.421 3.306 -1.485 1.00 54.21 H new ATOM 0 HG23 THR A 104 13.142 2.999 -1.820 1.00 54.21 H new ATOM 1588 N PRO A 105 13.458 0.276 -4.330 1.00 20.30 N ATOM 1589 CA PRO A 105 14.579 -0.607 -4.032 1.00 42.34 C ATOM 1590 C PRO A 105 15.757 0.180 -3.455 1.00 4.24 C ATOM 1591 O PRO A 105 16.066 1.287 -3.929 1.00 4.03 O ATOM 1592 CB PRO A 105 14.930 -1.211 -5.393 1.00 15.20 C ATOM 1593 CG PRO A 105 14.440 -0.222 -6.395 1.00 71.51 C ATOM 1594 CD PRO A 105 13.248 0.446 -5.777 1.00 43.11 C ATOM 0 HA PRO A 105 14.339 -1.363 -3.285 1.00 42.34 H new ATOM 0 HB2 PRO A 105 16.004 -1.370 -5.489 1.00 15.20 H new ATOM 0 HB3 PRO A 105 14.451 -2.181 -5.529 1.00 15.20 H new ATOM 0 HG2 PRO A 105 15.215 0.507 -6.633 1.00 71.51 H new ATOM 0 HG3 PRO A 105 14.169 -0.715 -7.328 1.00 71.51 H new ATOM 0 HD2 PRO A 105 13.193 1.499 -6.052 1.00 43.11 H new ATOM 0 HD3 PRO A 105 12.317 -0.017 -6.103 1.00 43.11 H new ATOM 1602 N ASP A 106 16.385 -0.335 -2.434 1.00 61.22 N ATOM 1603 CA ASP A 106 17.536 0.351 -1.874 1.00 73.15 C ATOM 1604 C ASP A 106 18.801 -0.397 -2.247 1.00 31.21 C ATOM 1605 O ASP A 106 19.011 -1.528 -1.795 1.00 2.22 O ATOM 1606 CB ASP A 106 17.436 0.494 -0.360 1.00 14.42 C ATOM 1607 CG ASP A 106 18.537 1.366 0.208 1.00 4.42 C ATOM 1608 OD1 ASP A 106 19.658 0.879 0.422 1.00 10.23 O ATOM 1609 OD2 ASP A 106 18.288 2.571 0.447 1.00 41.33 O ATOM 0 H ASP A 106 16.133 -1.210 -1.974 1.00 61.22 H new ATOM 0 HA ASP A 106 17.564 1.357 -2.292 1.00 73.15 H new ATOM 0 HB2 ASP A 106 16.467 0.921 -0.101 1.00 14.42 H new ATOM 0 HB3 ASP A 106 17.483 -0.493 0.100 1.00 14.42 H new ATOM 1614 N PRO A 107 19.660 0.209 -3.089 1.00 53.14 N ATOM 1615 CA PRO A 107 20.887 -0.432 -3.591 1.00 34.01 C ATOM 1616 C PRO A 107 21.897 -0.823 -2.500 1.00 22.43 C ATOM 1617 O PRO A 107 22.804 -1.624 -2.747 1.00 61.53 O ATOM 1618 CB PRO A 107 21.496 0.606 -4.542 1.00 41.13 C ATOM 1619 CG PRO A 107 20.866 1.902 -4.173 1.00 5.30 C ATOM 1620 CD PRO A 107 19.505 1.579 -3.629 1.00 40.25 C ATOM 0 HA PRO A 107 20.643 -1.381 -4.068 1.00 34.01 H new ATOM 0 HB2 PRO A 107 22.579 0.651 -4.432 1.00 41.13 H new ATOM 0 HB3 PRO A 107 21.292 0.353 -5.582 1.00 41.13 H new ATOM 0 HG2 PRO A 107 21.466 2.426 -3.429 1.00 5.30 H new ATOM 0 HG3 PRO A 107 20.791 2.557 -5.041 1.00 5.30 H new ATOM 0 HD2 PRO A 107 19.206 2.284 -2.853 1.00 40.25 H new ATOM 0 HD3 PRO A 107 18.743 1.619 -4.407 1.00 40.25 H new ATOM 1628 N SER A 108 21.757 -0.274 -1.318 1.00 14.43 N ATOM 1629 CA SER A 108 22.689 -0.555 -0.266 1.00 53.34 C ATOM 1630 C SER A 108 22.057 -1.410 0.821 1.00 21.43 C ATOM 1631 O SER A 108 22.698 -1.729 1.820 1.00 30.42 O ATOM 1632 CB SER A 108 23.221 0.749 0.308 1.00 54.30 C ATOM 1633 OG SER A 108 23.860 1.524 -0.711 1.00 22.42 O ATOM 0 H SER A 108 21.006 0.368 -1.066 1.00 14.43 H new ATOM 0 HA SER A 108 23.520 -1.125 -0.682 1.00 53.34 H new ATOM 0 HB2 SER A 108 22.403 1.320 0.747 1.00 54.30 H new ATOM 0 HB3 SER A 108 23.929 0.538 1.110 1.00 54.30 H new ATOM 0 HG SER A 108 24.195 2.360 -0.325 1.00 22.42 H new ATOM 1639 N LEU A 109 20.828 -1.809 0.622 1.00 71.12 N ATOM 1640 CA LEU A 109 20.147 -2.579 1.612 1.00 0.34 C ATOM 1641 C LEU A 109 20.110 -4.039 1.227 1.00 34.42 C ATOM 1642 O LEU A 109 19.666 -4.405 0.138 1.00 40.31 O ATOM 1643 CB LEU A 109 18.743 -2.034 1.830 1.00 24.11 C ATOM 1644 CG LEU A 109 17.924 -2.656 2.954 1.00 45.04 C ATOM 1645 CD1 LEU A 109 18.669 -2.592 4.273 1.00 31.20 C ATOM 1646 CD2 LEU A 109 16.601 -1.939 3.073 1.00 63.32 C ATOM 0 H LEU A 109 20.284 -1.610 -0.218 1.00 71.12 H new ATOM 0 HA LEU A 109 20.695 -2.499 2.551 1.00 0.34 H new ATOM 0 HB2 LEU A 109 18.821 -0.964 2.021 1.00 24.11 H new ATOM 0 HB3 LEU A 109 18.186 -2.152 0.900 1.00 24.11 H new ATOM 0 HG LEU A 109 17.751 -3.705 2.715 1.00 45.04 H new ATOM 0 HD11 LEU A 109 18.061 -3.043 5.057 1.00 31.20 H new ATOM 0 HD12 LEU A 109 19.610 -3.135 4.186 1.00 31.20 H new ATOM 0 HD13 LEU A 109 18.873 -1.551 4.526 1.00 31.20 H new ATOM 0 HD21 LEU A 109 16.016 -2.385 3.877 1.00 63.32 H new ATOM 0 HD22 LEU A 109 16.776 -0.886 3.293 1.00 63.32 H new ATOM 0 HD23 LEU A 109 16.054 -2.027 2.135 1.00 63.32 H new ATOM 1658 N THR A 110 20.583 -4.853 2.110 1.00 64.31 N ATOM 1659 CA THR A 110 20.613 -6.276 1.926 1.00 14.52 C ATOM 1660 C THR A 110 19.725 -6.892 2.984 1.00 12.11 C ATOM 1661 O THR A 110 19.940 -6.688 4.183 1.00 75.15 O ATOM 1662 CB THR A 110 22.055 -6.818 2.037 1.00 13.41 C ATOM 1663 OG1 THR A 110 22.897 -6.127 1.091 1.00 35.34 O ATOM 1664 CG2 THR A 110 22.100 -8.313 1.747 1.00 13.31 C ATOM 0 H THR A 110 20.970 -4.546 3.002 1.00 64.31 H new ATOM 0 HA THR A 110 20.253 -6.534 0.930 1.00 14.52 H new ATOM 0 HB THR A 110 22.410 -6.650 3.054 1.00 13.41 H new ATOM 0 HG1 THR A 110 23.814 -6.467 1.160 1.00 35.34 H new ATOM 0 HG21 THR A 110 23.127 -8.669 1.832 1.00 13.31 H new ATOM 0 HG22 THR A 110 21.472 -8.842 2.464 1.00 13.31 H new ATOM 0 HG23 THR A 110 21.734 -8.499 0.737 1.00 13.31 H new ATOM 1672 N ILE A 111 18.728 -7.604 2.549 1.00 5.55 N ATOM 1673 CA ILE A 111 17.723 -8.130 3.435 1.00 64.44 C ATOM 1674 C ILE A 111 17.606 -9.619 3.217 1.00 52.12 C ATOM 1675 O ILE A 111 17.865 -10.101 2.126 1.00 3.50 O ATOM 1676 CB ILE A 111 16.354 -7.465 3.102 1.00 64.21 C ATOM 1677 CG1 ILE A 111 16.469 -5.941 3.128 1.00 3.53 C ATOM 1678 CG2 ILE A 111 15.236 -7.938 4.009 1.00 24.24 C ATOM 1679 CD1 ILE A 111 15.168 -5.215 2.898 1.00 61.21 C ATOM 0 H ILE A 111 18.585 -7.839 1.567 1.00 5.55 H new ATOM 0 HA ILE A 111 17.997 -7.924 4.470 1.00 64.44 H new ATOM 0 HB ILE A 111 16.091 -7.779 2.092 1.00 64.21 H new ATOM 0 HG12 ILE A 111 16.876 -5.636 4.092 1.00 3.53 H new ATOM 0 HG13 ILE A 111 17.184 -5.630 2.367 1.00 3.53 H new ATOM 0 HG21 ILE A 111 14.307 -7.441 3.730 1.00 24.24 H new ATOM 0 HG22 ILE A 111 15.116 -9.016 3.906 1.00 24.24 H new ATOM 0 HG23 ILE A 111 15.480 -7.697 5.044 1.00 24.24 H new ATOM 0 HD11 ILE A 111 15.341 -4.139 2.933 1.00 61.21 H new ATOM 0 HD12 ILE A 111 14.767 -5.487 1.921 1.00 61.21 H new ATOM 0 HD13 ILE A 111 14.454 -5.493 3.673 1.00 61.21 H new ATOM 1805 N VAL A 120 19.144 -11.123 0.004 1.00 62.53 N ATOM 1806 CA VAL A 120 19.013 -10.508 -1.286 1.00 3.44 C ATOM 1807 C VAL A 120 19.427 -9.054 -1.155 1.00 75.13 C ATOM 1808 O VAL A 120 18.959 -8.343 -0.248 1.00 12.35 O ATOM 1809 CB VAL A 120 17.539 -10.568 -1.798 1.00 41.25 C ATOM 1810 CG1 VAL A 120 17.419 -10.014 -3.215 1.00 53.01 C ATOM 1811 CG2 VAL A 120 16.987 -11.988 -1.731 1.00 61.31 C ATOM 0 HA VAL A 120 19.642 -11.041 -1.999 1.00 3.44 H new ATOM 0 HB VAL A 120 16.942 -9.939 -1.137 1.00 41.25 H new ATOM 0 HG11 VAL A 120 16.380 -10.070 -3.541 1.00 53.01 H new ATOM 0 HG12 VAL A 120 17.748 -8.975 -3.228 1.00 53.01 H new ATOM 0 HG13 VAL A 120 18.043 -10.601 -3.889 1.00 53.01 H new ATOM 0 HG21 VAL A 120 15.959 -11.996 -2.094 1.00 61.31 H new ATOM 0 HG22 VAL A 120 17.596 -12.645 -2.352 1.00 61.31 H new ATOM 0 HG23 VAL A 120 17.010 -12.339 -0.699 1.00 61.31 H new ATOM 1821 N SER A 121 20.323 -8.628 -1.991 1.00 14.13 N ATOM 1822 CA SER A 121 20.745 -7.264 -1.997 1.00 22.51 C ATOM 1823 C SER A 121 19.814 -6.457 -2.885 1.00 63.13 C ATOM 1824 O SER A 121 19.346 -6.964 -3.913 1.00 12.01 O ATOM 1825 CB SER A 121 22.210 -7.173 -2.438 1.00 24.50 C ATOM 1826 OG SER A 121 22.441 -7.929 -3.631 1.00 61.11 O ATOM 0 H SER A 121 20.781 -9.216 -2.687 1.00 14.13 H new ATOM 0 HA SER A 121 20.690 -6.843 -0.993 1.00 22.51 H new ATOM 0 HB2 SER A 121 22.477 -6.130 -2.608 1.00 24.50 H new ATOM 0 HB3 SER A 121 22.856 -7.541 -1.641 1.00 24.50 H new ATOM 0 HG SER A 121 23.383 -7.852 -3.890 1.00 61.11 H new ATOM 1832 N ASN A 122 19.509 -5.249 -2.452 1.00 0.20 N ATOM 1833 CA ASN A 122 18.594 -4.354 -3.137 1.00 13.10 C ATOM 1834 C ASN A 122 17.176 -4.890 -3.060 1.00 52.35 C ATOM 1835 O ASN A 122 16.634 -5.459 -4.015 1.00 52.24 O ATOM 1836 CB ASN A 122 19.037 -4.014 -4.592 1.00 55.00 C ATOM 1837 CG ASN A 122 18.074 -3.092 -5.340 1.00 1.32 C ATOM 1838 OD1 ASN A 122 18.159 -1.875 -5.240 1.00 3.22 O ATOM 1839 ND2 ASN A 122 17.192 -3.659 -6.132 1.00 2.33 N ATOM 0 H ASN A 122 19.898 -4.853 -1.596 1.00 0.20 H new ATOM 0 HA ASN A 122 18.619 -3.398 -2.614 1.00 13.10 H new ATOM 0 HB2 ASN A 122 20.021 -3.545 -4.560 1.00 55.00 H new ATOM 0 HB3 ASN A 122 19.144 -4.942 -5.154 1.00 55.00 H new ATOM 0 HD21 ASN A 122 16.556 -3.082 -6.683 1.00 2.33 H new ATOM 0 HD22 ASN A 122 17.143 -4.676 -6.196 1.00 2.33 H new ATOM 1846 N ALA A 123 16.622 -4.835 -1.875 1.00 31.21 N ATOM 1847 CA ALA A 123 15.260 -5.224 -1.685 1.00 3.22 C ATOM 1848 C ALA A 123 14.416 -3.982 -1.427 1.00 61.33 C ATOM 1849 O ALA A 123 14.955 -2.870 -1.337 1.00 0.50 O ATOM 1850 CB ALA A 123 15.157 -6.226 -0.552 1.00 0.45 C ATOM 0 H ALA A 123 17.100 -4.523 -1.030 1.00 31.21 H new ATOM 0 HA ALA A 123 14.881 -5.712 -2.583 1.00 3.22 H new ATOM 0 HB1 ALA A 123 14.115 -6.516 -0.416 1.00 0.45 H new ATOM 0 HB2 ALA A 123 15.750 -7.108 -0.792 1.00 0.45 H new ATOM 0 HB3 ALA A 123 15.531 -5.776 0.367 1.00 0.45 H new ATOM 1856 N ARG A 124 13.114 -4.157 -1.338 1.00 73.41 N ATOM 1857 CA ARG A 124 12.215 -3.041 -1.093 1.00 5.12 C ATOM 1858 C ARG A 124 11.759 -3.083 0.344 1.00 64.44 C ATOM 1859 O ARG A 124 11.688 -4.164 0.921 1.00 52.04 O ATOM 1860 CB ARG A 124 10.943 -3.080 -1.981 1.00 32.10 C ATOM 1861 CG ARG A 124 11.154 -3.006 -3.482 1.00 11.51 C ATOM 1862 CD ARG A 124 11.551 -4.345 -4.078 1.00 12.11 C ATOM 1863 NE ARG A 124 10.420 -5.274 -4.036 1.00 74.53 N ATOM 1864 CZ ARG A 124 10.472 -6.543 -3.656 1.00 14.15 C ATOM 1865 NH1 ARG A 124 11.640 -7.175 -3.555 1.00 3.04 N ATOM 1866 NH2 ARG A 124 9.347 -7.210 -3.462 1.00 5.24 N ATOM 0 H ARG A 124 12.651 -5.061 -1.431 1.00 73.41 H new ATOM 0 HA ARG A 124 12.772 -2.134 -1.327 1.00 5.12 H new ATOM 0 HB2 ARG A 124 10.402 -4.000 -1.759 1.00 32.10 H new ATOM 0 HB3 ARG A 124 10.298 -2.252 -1.687 1.00 32.10 H new ATOM 0 HG2 ARG A 124 10.238 -2.657 -3.958 1.00 11.51 H new ATOM 0 HG3 ARG A 124 11.928 -2.270 -3.701 1.00 11.51 H new ATOM 0 HD2 ARG A 124 11.881 -4.209 -5.108 1.00 12.11 H new ATOM 0 HD3 ARG A 124 12.393 -4.761 -3.526 1.00 12.11 H new ATOM 0 HE ARG A 124 9.511 -4.913 -4.325 1.00 74.53 H new ATOM 0 HH11 ARG A 124 12.507 -6.682 -3.771 1.00 3.04 H new ATOM 0 HH12 ARG A 124 11.668 -8.152 -3.262 1.00 3.04 H new ATOM 0 HH21 ARG A 124 8.449 -6.748 -3.605 1.00 5.24 H new ATOM 0 HH22 ARG A 124 9.377 -8.187 -3.170 1.00 5.24 H new ATOM 1880 N PRO A 125 11.454 -1.925 0.949 1.00 2.01 N ATOM 1881 CA PRO A 125 10.868 -1.855 2.287 1.00 11.34 C ATOM 1882 C PRO A 125 9.597 -2.729 2.425 1.00 1.51 C ATOM 1883 O PRO A 125 9.349 -3.294 3.490 1.00 64.10 O ATOM 1884 CB PRO A 125 10.530 -0.376 2.444 1.00 14.22 C ATOM 1885 CG PRO A 125 11.545 0.312 1.616 1.00 41.20 C ATOM 1886 CD PRO A 125 11.740 -0.569 0.418 1.00 53.54 C ATOM 0 HA PRO A 125 11.547 -2.233 3.052 1.00 11.34 H new ATOM 0 HB2 PRO A 125 9.519 -0.159 2.099 1.00 14.22 H new ATOM 0 HB3 PRO A 125 10.585 -0.062 3.486 1.00 14.22 H new ATOM 0 HG2 PRO A 125 11.206 1.306 1.323 1.00 41.20 H new ATOM 0 HG3 PRO A 125 12.478 0.442 2.165 1.00 41.20 H new ATOM 0 HD2 PRO A 125 11.063 -0.302 -0.393 1.00 53.54 H new ATOM 0 HD3 PRO A 125 12.754 -0.496 0.024 1.00 53.54 H new ATOM 1894 N VAL A 126 8.796 -2.851 1.347 1.00 60.53 N ATOM 1895 CA VAL A 126 7.627 -3.749 1.401 1.00 20.42 C ATOM 1896 C VAL A 126 8.094 -5.183 1.579 1.00 63.31 C ATOM 1897 O VAL A 126 7.580 -5.918 2.420 1.00 23.41 O ATOM 1898 CB VAL A 126 6.738 -3.710 0.126 1.00 54.15 C ATOM 1899 CG1 VAL A 126 5.554 -4.634 0.289 1.00 52.21 C ATOM 1900 CG2 VAL A 126 6.242 -2.333 -0.162 1.00 24.12 C ATOM 0 H VAL A 126 8.929 -2.361 0.463 1.00 60.53 H new ATOM 0 HA VAL A 126 7.027 -3.397 2.240 1.00 20.42 H new ATOM 0 HB VAL A 126 7.357 -4.036 -0.710 1.00 54.15 H new ATOM 0 HG11 VAL A 126 4.938 -4.599 -0.610 1.00 52.21 H new ATOM 0 HG12 VAL A 126 5.907 -5.653 0.447 1.00 52.21 H new ATOM 0 HG13 VAL A 126 4.961 -4.318 1.147 1.00 52.21 H new ATOM 0 HG21 VAL A 126 5.625 -2.349 -1.060 1.00 24.12 H new ATOM 0 HG22 VAL A 126 5.648 -1.977 0.680 1.00 24.12 H new ATOM 0 HG23 VAL A 126 7.090 -1.666 -0.316 1.00 24.12 H new ATOM 1910 N ASP A 127 9.125 -5.554 0.833 1.00 55.11 N ATOM 1911 CA ASP A 127 9.633 -6.922 0.909 1.00 64.50 C ATOM 1912 C ASP A 127 10.272 -7.140 2.292 1.00 60.13 C ATOM 1913 O ASP A 127 10.207 -8.218 2.863 1.00 71.01 O ATOM 1914 CB ASP A 127 10.644 -7.167 -0.211 1.00 23.22 C ATOM 1915 CG ASP A 127 10.744 -8.626 -0.629 1.00 40.22 C ATOM 1916 OD1 ASP A 127 9.981 -9.049 -1.552 1.00 0.34 O ATOM 1917 OD2 ASP A 127 11.598 -9.339 -0.137 1.00 2.22 O ATOM 0 H ASP A 127 9.619 -4.945 0.181 1.00 55.11 H new ATOM 0 HA ASP A 127 8.816 -7.633 0.781 1.00 64.50 H new ATOM 0 HB2 ASP A 127 10.367 -6.567 -1.078 1.00 23.22 H new ATOM 0 HB3 ASP A 127 11.626 -6.822 0.114 1.00 23.22 H new ATOM 1922 N ALA A 128 10.820 -6.054 2.844 1.00 41.53 N ATOM 1923 CA ALA A 128 11.433 -6.045 4.167 1.00 23.04 C ATOM 1924 C ALA A 128 10.412 -6.292 5.273 1.00 20.54 C ATOM 1925 O ALA A 128 10.659 -7.073 6.187 1.00 1.40 O ATOM 1926 CB ALA A 128 12.132 -4.722 4.421 1.00 60.41 C ATOM 0 H ALA A 128 10.849 -5.148 2.376 1.00 41.53 H new ATOM 0 HA ALA A 128 12.159 -6.857 4.184 1.00 23.04 H new ATOM 0 HB1 ALA A 128 12.584 -4.734 5.413 1.00 60.41 H new ATOM 0 HB2 ALA A 128 12.908 -4.571 3.671 1.00 60.41 H new ATOM 0 HB3 ALA A 128 11.407 -3.910 4.362 1.00 60.41 H new ATOM 1932 N LEU A 129 9.269 -5.626 5.198 1.00 54.11 N ATOM 1933 CA LEU A 129 8.237 -5.781 6.218 1.00 73.25 C ATOM 1934 C LEU A 129 7.622 -7.168 6.138 1.00 12.22 C ATOM 1935 O LEU A 129 7.285 -7.776 7.156 1.00 14.30 O ATOM 1936 CB LEU A 129 7.191 -4.641 6.141 1.00 44.21 C ATOM 1937 CG LEU A 129 6.361 -4.535 4.861 1.00 1.02 C ATOM 1938 CD1 LEU A 129 5.163 -5.463 4.894 1.00 43.42 C ATOM 1939 CD2 LEU A 129 5.940 -3.109 4.591 1.00 14.50 C ATOM 0 H LEU A 129 9.032 -4.977 4.448 1.00 54.11 H new ATOM 0 HA LEU A 129 8.695 -5.694 7.203 1.00 73.25 H new ATOM 0 HB2 LEU A 129 6.504 -4.756 6.980 1.00 44.21 H new ATOM 0 HB3 LEU A 129 7.713 -3.695 6.284 1.00 44.21 H new ATOM 0 HG LEU A 129 6.999 -4.853 4.036 1.00 1.02 H new ATOM 0 HD11 LEU A 129 4.597 -5.360 3.968 1.00 43.42 H new ATOM 0 HD12 LEU A 129 5.504 -6.493 4.998 1.00 43.42 H new ATOM 0 HD13 LEU A 129 4.525 -5.204 5.739 1.00 43.42 H new ATOM 0 HD21 LEU A 129 5.352 -3.071 3.674 1.00 14.50 H new ATOM 0 HD22 LEU A 129 5.339 -2.743 5.423 1.00 14.50 H new ATOM 0 HD23 LEU A 129 6.825 -2.483 4.481 1.00 14.50 H new ATOM 1951 N HIS A 130 7.545 -7.678 4.924 1.00 51.44 N ATOM 1952 CA HIS A 130 7.059 -9.021 4.646 1.00 14.33 C ATOM 1953 C HIS A 130 8.054 -10.033 5.248 1.00 64.40 C ATOM 1954 O HIS A 130 7.689 -11.121 5.698 1.00 63.00 O ATOM 1955 CB HIS A 130 6.926 -9.179 3.103 1.00 23.11 C ATOM 1956 CG HIS A 130 6.451 -10.513 2.593 1.00 25.44 C ATOM 1957 ND1 HIS A 130 5.150 -10.788 2.217 1.00 13.12 N ATOM 1958 CD2 HIS A 130 7.149 -11.640 2.341 1.00 70.32 C ATOM 1959 CE1 HIS A 130 5.111 -12.035 1.761 1.00 31.31 C ATOM 1960 NE2 HIS A 130 6.297 -12.602 1.812 1.00 44.10 N ATOM 0 H HIS A 130 7.822 -7.164 4.088 1.00 51.44 H new ATOM 0 HA HIS A 130 6.082 -9.201 5.094 1.00 14.33 H new ATOM 0 HB2 HIS A 130 6.239 -8.414 2.742 1.00 23.11 H new ATOM 0 HB3 HIS A 130 7.898 -8.972 2.656 1.00 23.11 H new ATOM 0 HD1 HIS A 130 4.359 -10.147 2.279 1.00 13.12 H new ATOM 0 HD2 HIS A 130 8.205 -11.774 2.522 1.00 70.32 H new ATOM 0 HE1 HIS A 130 4.219 -12.522 1.395 1.00 31.31 H new ATOM 1968 N ALA A 131 9.297 -9.608 5.316 1.00 45.34 N ATOM 1969 CA ALA A 131 10.389 -10.416 5.851 1.00 2.03 C ATOM 1970 C ALA A 131 10.679 -10.099 7.330 1.00 41.33 C ATOM 1971 O ALA A 131 11.728 -10.477 7.857 1.00 34.13 O ATOM 1972 CB ALA A 131 11.637 -10.225 5.008 1.00 70.20 C ATOM 0 H ALA A 131 9.588 -8.683 5.000 1.00 45.34 H new ATOM 0 HA ALA A 131 10.079 -11.460 5.806 1.00 2.03 H new ATOM 0 HB1 ALA A 131 12.447 -10.831 5.414 1.00 70.20 H new ATOM 0 HB2 ALA A 131 11.433 -10.532 3.982 1.00 70.20 H new ATOM 0 HB3 ALA A 131 11.928 -9.175 5.022 1.00 70.20 H new ATOM 1978 N HIS A 132 9.744 -9.393 7.976 1.00 51.14 N ATOM 1979 CA HIS A 132 9.789 -9.042 9.425 1.00 24.51 C ATOM 1980 C HIS A 132 11.021 -8.149 9.769 1.00 1.12 C ATOM 1981 O HIS A 132 11.471 -8.056 10.898 1.00 21.31 O ATOM 1982 CB HIS A 132 9.740 -10.340 10.286 1.00 50.43 C ATOM 1983 CG HIS A 132 9.585 -10.119 11.769 1.00 63.52 C ATOM 1984 ND1 HIS A 132 10.511 -10.510 12.708 1.00 10.44 N ATOM 1985 CD2 HIS A 132 8.575 -9.546 12.459 1.00 14.41 C ATOM 1986 CE1 HIS A 132 10.049 -10.175 13.910 1.00 23.14 C ATOM 1987 NE2 HIS A 132 8.873 -9.585 13.818 1.00 53.33 N ATOM 0 H HIS A 132 8.911 -9.036 7.508 1.00 51.14 H new ATOM 0 HA HIS A 132 8.910 -8.444 9.665 1.00 24.51 H new ATOM 0 HB2 HIS A 132 8.912 -10.957 9.938 1.00 50.43 H new ATOM 0 HB3 HIS A 132 10.655 -10.907 10.113 1.00 50.43 H new ATOM 0 HD2 HIS A 132 7.680 -9.125 12.026 1.00 14.41 H new ATOM 0 HE1 HIS A 132 10.568 -10.362 14.838 1.00 23.14 H new ATOM 0 HE2 HIS A 132 8.300 -9.231 14.584 1.00 53.33 H new ATOM 1995 N GLN A 133 11.460 -7.417 8.800 1.00 55.20 N ATOM 1996 CA GLN A 133 12.549 -6.466 8.934 1.00 33.43 C ATOM 1997 C GLN A 133 11.974 -5.065 8.816 1.00 23.12 C ATOM 1998 O GLN A 133 12.635 -4.080 8.494 1.00 72.44 O ATOM 1999 CB GLN A 133 13.666 -6.815 7.957 1.00 32.20 C ATOM 2000 CG GLN A 133 14.406 -8.058 8.447 1.00 32.12 C ATOM 2001 CD GLN A 133 15.265 -8.746 7.420 1.00 2.35 C ATOM 2002 OE1 GLN A 133 16.456 -8.436 7.241 1.00 52.14 O ATOM 2003 NE2 GLN A 133 14.690 -9.723 6.778 1.00 32.32 N ATOM 0 H GLN A 133 11.069 -7.454 7.859 1.00 55.20 H new ATOM 0 HA GLN A 133 13.027 -6.512 9.913 1.00 33.43 H new ATOM 0 HB2 GLN A 133 13.252 -6.994 6.965 1.00 32.20 H new ATOM 0 HB3 GLN A 133 14.359 -5.979 7.868 1.00 32.20 H new ATOM 0 HG2 GLN A 133 15.035 -7.776 9.292 1.00 32.12 H new ATOM 0 HG3 GLN A 133 13.673 -8.773 8.820 1.00 32.12 H new ATOM 0 HE21 GLN A 133 13.710 -9.943 6.956 1.00 32.32 H new ATOM 0 HE22 GLN A 133 15.220 -10.268 6.097 1.00 32.32 H new ATOM 2012 N ALA A 134 10.695 -5.039 9.150 1.00 51.45 N ATOM 2013 CA ALA A 134 9.800 -3.894 9.171 1.00 14.13 C ATOM 2014 C ALA A 134 10.340 -2.715 9.973 1.00 70.14 C ATOM 2015 O ALA A 134 9.960 -1.592 9.718 1.00 14.22 O ATOM 2016 CB ALA A 134 8.438 -4.308 9.708 1.00 51.04 C ATOM 0 H ALA A 134 10.215 -5.892 9.438 1.00 51.45 H new ATOM 0 HA ALA A 134 9.711 -3.552 8.140 1.00 14.13 H new ATOM 0 HB1 ALA A 134 7.774 -3.444 9.720 1.00 51.04 H new ATOM 0 HB2 ALA A 134 8.015 -5.082 9.068 1.00 51.04 H new ATOM 0 HB3 ALA A 134 8.549 -4.695 10.721 1.00 51.04 H new ATOM 2022 N ARG A 135 11.201 -2.983 10.952 1.00 13.32 N ATOM 2023 CA ARG A 135 11.708 -1.945 11.879 1.00 55.20 C ATOM 2024 C ARG A 135 12.352 -0.785 11.103 1.00 11.15 C ATOM 2025 O ARG A 135 12.128 0.396 11.424 1.00 72.23 O ATOM 2026 CB ARG A 135 12.769 -2.535 12.804 1.00 44.34 C ATOM 2027 CG ARG A 135 12.398 -3.859 13.433 1.00 30.02 C ATOM 2028 CD ARG A 135 13.510 -4.354 14.331 1.00 70.22 C ATOM 2029 NE ARG A 135 13.342 -5.765 14.680 1.00 72.22 N ATOM 2030 CZ ARG A 135 13.725 -6.332 15.820 1.00 21.15 C ATOM 2031 NH1 ARG A 135 14.200 -5.591 16.818 1.00 72.30 N ATOM 2032 NH2 ARG A 135 13.618 -7.643 15.960 1.00 14.41 N ATOM 0 H ARG A 135 11.572 -3.916 11.134 1.00 13.32 H new ATOM 0 HA ARG A 135 10.859 -1.579 12.456 1.00 55.20 H new ATOM 0 HB2 ARG A 135 13.692 -2.663 12.239 1.00 44.34 H new ATOM 0 HB3 ARG A 135 12.978 -1.818 13.598 1.00 44.34 H new ATOM 0 HG2 ARG A 135 11.480 -3.749 14.010 1.00 30.02 H new ATOM 0 HG3 ARG A 135 12.198 -4.594 12.654 1.00 30.02 H new ATOM 0 HD2 ARG A 135 14.469 -4.215 13.832 1.00 70.22 H new ATOM 0 HD3 ARG A 135 13.535 -3.755 15.241 1.00 70.22 H new ATOM 0 HE ARG A 135 12.892 -6.366 13.989 1.00 72.22 H new ATOM 0 HH11 ARG A 135 14.273 -4.579 16.712 1.00 72.30 H new ATOM 0 HH12 ARG A 135 14.491 -6.035 17.689 1.00 72.30 H new ATOM 0 HH21 ARG A 135 13.245 -8.209 15.198 1.00 14.41 H new ATOM 0 HH22 ARG A 135 13.909 -8.088 16.830 1.00 14.41 H new ATOM 2046 N GLU A 136 13.111 -1.125 10.064 1.00 63.15 N ATOM 2047 CA GLU A 136 13.755 -0.122 9.216 1.00 31.31 C ATOM 2048 C GLU A 136 12.714 0.635 8.416 1.00 60.43 C ATOM 2049 O GLU A 136 12.821 1.830 8.203 1.00 1.11 O ATOM 2050 CB GLU A 136 14.754 -0.775 8.262 1.00 11.42 C ATOM 2051 CG GLU A 136 15.929 -1.435 8.951 1.00 30.22 C ATOM 2052 CD GLU A 136 16.700 -0.465 9.810 1.00 74.30 C ATOM 2053 OE1 GLU A 136 17.405 0.411 9.265 1.00 21.34 O ATOM 2054 OE2 GLU A 136 16.615 -0.561 11.047 1.00 40.14 O ATOM 0 H GLU A 136 13.296 -2.089 9.788 1.00 63.15 H new ATOM 0 HA GLU A 136 14.290 0.572 9.864 1.00 31.31 H new ATOM 0 HB2 GLU A 136 14.233 -1.521 7.663 1.00 11.42 H new ATOM 0 HB3 GLU A 136 15.129 -0.018 7.573 1.00 11.42 H new ATOM 0 HG2 GLU A 136 15.571 -2.259 9.568 1.00 30.22 H new ATOM 0 HG3 GLU A 136 16.595 -1.863 8.201 1.00 30.22 H new ATOM 2061 N VAL A 137 11.687 -0.081 8.022 1.00 23.40 N ATOM 2062 CA VAL A 137 10.591 0.457 7.236 1.00 53.30 C ATOM 2063 C VAL A 137 9.819 1.480 8.061 1.00 25.54 C ATOM 2064 O VAL A 137 9.462 2.544 7.568 1.00 51.54 O ATOM 2065 CB VAL A 137 9.631 -0.675 6.788 1.00 74.52 C ATOM 2066 CG1 VAL A 137 8.519 -0.147 5.901 1.00 15.35 C ATOM 2067 CG2 VAL A 137 10.404 -1.782 6.094 1.00 33.52 C ATOM 0 H VAL A 137 11.584 -1.072 8.240 1.00 23.40 H new ATOM 0 HA VAL A 137 11.005 0.937 6.349 1.00 53.30 H new ATOM 0 HB VAL A 137 9.162 -1.089 7.681 1.00 74.52 H new ATOM 0 HG11 VAL A 137 7.867 -0.969 5.607 1.00 15.35 H new ATOM 0 HG12 VAL A 137 7.940 0.598 6.447 1.00 15.35 H new ATOM 0 HG13 VAL A 137 8.950 0.310 5.010 1.00 15.35 H new ATOM 0 HG21 VAL A 137 9.715 -2.569 5.786 1.00 33.52 H new ATOM 0 HG22 VAL A 137 10.909 -1.378 5.217 1.00 33.52 H new ATOM 0 HG23 VAL A 137 11.143 -2.195 6.780 1.00 33.52 H new ATOM 2077 N VAL A 138 9.589 1.151 9.326 1.00 50.45 N ATOM 2078 CA VAL A 138 8.909 2.047 10.252 1.00 65.21 C ATOM 2079 C VAL A 138 9.721 3.327 10.409 1.00 42.51 C ATOM 2080 O VAL A 138 9.188 4.427 10.307 1.00 41.43 O ATOM 2081 CB VAL A 138 8.686 1.385 11.650 1.00 32.42 C ATOM 2082 CG1 VAL A 138 8.007 2.352 12.620 1.00 13.44 C ATOM 2083 CG2 VAL A 138 7.856 0.116 11.517 1.00 2.23 C ATOM 0 H VAL A 138 9.867 0.260 9.737 1.00 50.45 H new ATOM 0 HA VAL A 138 7.927 2.275 9.837 1.00 65.21 H new ATOM 0 HB VAL A 138 9.666 1.128 12.052 1.00 32.42 H new ATOM 0 HG11 VAL A 138 7.866 1.862 13.583 1.00 13.44 H new ATOM 0 HG12 VAL A 138 8.632 3.235 12.750 1.00 13.44 H new ATOM 0 HG13 VAL A 138 7.038 2.649 12.219 1.00 13.44 H new ATOM 0 HG21 VAL A 138 7.712 -0.330 12.501 1.00 2.23 H new ATOM 0 HG22 VAL A 138 6.886 0.359 11.084 1.00 2.23 H new ATOM 0 HG23 VAL A 138 8.375 -0.592 10.871 1.00 2.23 H new ATOM 2093 N ARG A 139 11.016 3.173 10.614 1.00 14.24 N ATOM 2094 CA ARG A 139 11.906 4.317 10.757 1.00 2.52 C ATOM 2095 C ARG A 139 11.954 5.146 9.457 1.00 41.12 C ATOM 2096 O ARG A 139 11.952 6.384 9.487 1.00 43.32 O ATOM 2097 CB ARG A 139 13.300 3.868 11.187 1.00 12.14 C ATOM 2098 CG ARG A 139 14.218 5.021 11.531 1.00 24.13 C ATOM 2099 CD ARG A 139 15.534 4.538 12.099 1.00 20.33 C ATOM 2100 NE ARG A 139 16.348 5.663 12.553 1.00 42.15 N ATOM 2101 CZ ARG A 139 16.873 5.797 13.775 1.00 72.02 C ATOM 2102 NH1 ARG A 139 16.733 4.822 14.683 1.00 4.53 N ATOM 2103 NH2 ARG A 139 17.541 6.903 14.084 1.00 40.13 N ATOM 0 H ARG A 139 11.478 2.267 10.686 1.00 14.24 H new ATOM 0 HA ARG A 139 11.509 4.962 11.541 1.00 2.52 H new ATOM 0 HB2 ARG A 139 13.212 3.211 12.052 1.00 12.14 H new ATOM 0 HB3 ARG A 139 13.749 3.281 10.386 1.00 12.14 H new ATOM 0 HG2 ARG A 139 14.404 5.617 10.638 1.00 24.13 H new ATOM 0 HG3 ARG A 139 13.728 5.674 12.253 1.00 24.13 H new ATOM 0 HD2 ARG A 139 15.349 3.859 12.931 1.00 20.33 H new ATOM 0 HD3 ARG A 139 16.077 3.973 11.341 1.00 20.33 H new ATOM 0 HE ARG A 139 16.531 6.409 11.881 1.00 42.15 H new ATOM 0 HH11 ARG A 139 16.224 3.971 14.444 1.00 4.53 H new ATOM 0 HH12 ARG A 139 17.136 4.930 15.614 1.00 4.53 H new ATOM 0 HH21 ARG A 139 17.651 7.643 13.391 1.00 40.13 H new ATOM 0 HH22 ARG A 139 17.944 7.012 15.015 1.00 40.13 H new ATOM 2117 N ARG A 140 11.950 4.445 8.324 1.00 21.11 N ATOM 2118 CA ARG A 140 11.959 5.059 6.992 1.00 33.15 C ATOM 2119 C ARG A 140 10.676 5.889 6.834 1.00 54.53 C ATOM 2120 O ARG A 140 10.689 6.958 6.241 1.00 44.14 O ATOM 2121 CB ARG A 140 12.018 3.936 5.916 1.00 41.54 C ATOM 2122 CG ARG A 140 12.744 4.265 4.591 1.00 34.44 C ATOM 2123 CD ARG A 140 12.107 5.390 3.789 1.00 61.43 C ATOM 2124 NE ARG A 140 12.836 5.636 2.522 1.00 71.40 N ATOM 2125 CZ ARG A 140 12.939 6.832 1.913 1.00 45.50 C ATOM 2126 NH1 ARG A 140 12.326 7.892 2.429 1.00 31.23 N ATOM 2127 NH2 ARG A 140 13.639 6.962 0.782 1.00 12.21 N ATOM 0 H ARG A 140 11.940 3.425 8.302 1.00 21.11 H new ATOM 0 HA ARG A 140 12.827 5.707 6.869 1.00 33.15 H new ATOM 0 HB2 ARG A 140 12.503 3.067 6.361 1.00 41.54 H new ATOM 0 HB3 ARG A 140 10.996 3.643 5.677 1.00 41.54 H new ATOM 0 HG2 ARG A 140 13.777 4.533 4.813 1.00 34.44 H new ATOM 0 HG3 ARG A 140 12.774 3.367 3.974 1.00 34.44 H new ATOM 0 HD2 ARG A 140 11.069 5.139 3.570 1.00 61.43 H new ATOM 0 HD3 ARG A 140 12.095 6.302 4.386 1.00 61.43 H new ATOM 0 HE ARG A 140 13.294 4.840 2.079 1.00 71.40 H new ATOM 0 HH11 ARG A 140 11.779 7.798 3.285 1.00 31.23 H new ATOM 0 HH12 ARG A 140 12.403 8.799 1.969 1.00 31.23 H new ATOM 0 HH21 ARG A 140 14.101 6.150 0.372 1.00 12.21 H new ATOM 0 HH22 ARG A 140 13.711 7.873 0.328 1.00 12.21 H new ATOM 2141 N ALA A 141 9.585 5.380 7.401 1.00 1.15 N ATOM 2142 CA ALA A 141 8.295 6.035 7.384 1.00 72.21 C ATOM 2143 C ALA A 141 8.332 7.306 8.226 1.00 75.23 C ATOM 2144 O ALA A 141 7.867 8.360 7.789 1.00 74.11 O ATOM 2145 CB ALA A 141 7.243 5.084 7.918 1.00 72.01 C ATOM 0 H ALA A 141 9.580 4.486 7.891 1.00 1.15 H new ATOM 0 HA ALA A 141 8.047 6.311 6.359 1.00 72.21 H new ATOM 0 HB1 ALA A 141 6.270 5.575 7.907 1.00 72.01 H new ATOM 0 HB2 ALA A 141 7.207 4.192 7.292 1.00 72.01 H new ATOM 0 HB3 ALA A 141 7.494 4.800 8.940 1.00 72.01 H new ATOM 2151 N GLN A 142 8.900 7.196 9.428 1.00 53.25 N ATOM 2152 CA GLN A 142 9.047 8.336 10.348 1.00 62.23 C ATOM 2153 C GLN A 142 9.837 9.447 9.672 1.00 63.43 C ATOM 2154 O GLN A 142 9.411 10.598 9.635 1.00 53.32 O ATOM 2155 CB GLN A 142 9.817 7.923 11.598 1.00 43.43 C ATOM 2156 CG GLN A 142 9.238 6.758 12.368 1.00 51.33 C ATOM 2157 CD GLN A 142 10.153 6.344 13.496 1.00 73.34 C ATOM 2158 OE1 GLN A 142 11.371 6.521 13.416 1.00 24.33 O ATOM 2159 NE2 GLN A 142 9.602 5.774 14.530 1.00 1.25 N ATOM 0 H GLN A 142 9.271 6.320 9.795 1.00 53.25 H new ATOM 0 HA GLN A 142 8.047 8.677 10.618 1.00 62.23 H new ATOM 0 HB2 GLN A 142 10.837 7.672 11.308 1.00 43.43 H new ATOM 0 HB3 GLN A 142 9.878 8.782 12.266 1.00 43.43 H new ATOM 0 HG2 GLN A 142 8.262 7.032 12.769 1.00 51.33 H new ATOM 0 HG3 GLN A 142 9.081 5.915 11.695 1.00 51.33 H new ATOM 0 HE21 GLN A 142 8.591 5.644 14.562 1.00 1.25 H new ATOM 0 HE22 GLN A 142 10.182 5.458 15.307 1.00 1.25 H new ATOM 2168 N ALA A 143 10.971 9.070 9.096 1.00 34.15 N ATOM 2169 CA ALA A 143 11.864 10.002 8.430 1.00 63.33 C ATOM 2170 C ALA A 143 11.232 10.570 7.161 1.00 13.33 C ATOM 2171 O ALA A 143 11.548 11.682 6.735 1.00 51.33 O ATOM 2172 CB ALA A 143 13.181 9.315 8.103 1.00 25.43 C ATOM 0 H ALA A 143 11.297 8.104 9.079 1.00 34.15 H new ATOM 0 HA ALA A 143 12.052 10.835 9.108 1.00 63.33 H new ATOM 0 HB1 ALA A 143 13.845 10.020 7.604 1.00 25.43 H new ATOM 0 HB2 ALA A 143 13.648 8.966 9.024 1.00 25.43 H new ATOM 0 HB3 ALA A 143 12.995 8.465 7.446 1.00 25.43 H new ATOM 2178 N MET A 144 10.339 9.812 6.564 1.00 63.15 N ATOM 2179 CA MET A 144 9.667 10.233 5.345 1.00 62.45 C ATOM 2180 C MET A 144 8.573 11.243 5.670 1.00 11.22 C ATOM 2181 O MET A 144 8.245 12.110 4.858 1.00 54.35 O ATOM 2182 CB MET A 144 9.050 9.023 4.635 1.00 1.13 C ATOM 2183 CG MET A 144 8.509 9.315 3.249 1.00 23.11 C ATOM 2184 SD MET A 144 9.816 9.800 2.108 1.00 72.24 S ATOM 2185 CE MET A 144 8.896 10.011 0.586 1.00 10.41 C ATOM 0 H MET A 144 10.057 8.892 6.903 1.00 63.15 H new ATOM 0 HA MET A 144 10.402 10.698 4.688 1.00 62.45 H new ATOM 0 HB2 MET A 144 9.804 8.239 4.559 1.00 1.13 H new ATOM 0 HB3 MET A 144 8.242 8.630 5.251 1.00 1.13 H new ATOM 0 HG2 MET A 144 8.000 8.431 2.864 1.00 23.11 H new ATOM 0 HG3 MET A 144 7.766 10.110 3.309 1.00 23.11 H new ATOM 0 HE1 MET A 144 9.517 10.527 -0.146 1.00 10.41 H new ATOM 0 HE2 MET A 144 8.610 9.034 0.195 1.00 10.41 H new ATOM 0 HE3 MET A 144 8.000 10.600 0.781 1.00 10.41 H new ATOM 2195 N ALA A 145 8.015 11.129 6.850 1.00 54.24 N ATOM 2196 CA ALA A 145 6.937 11.991 7.262 1.00 0.10 C ATOM 2197 C ALA A 145 7.431 13.237 7.983 1.00 2.42 C ATOM 2198 O ALA A 145 7.007 14.355 7.663 1.00 43.41 O ATOM 2199 CB ALA A 145 5.939 11.233 8.119 1.00 22.55 C ATOM 0 H ALA A 145 8.294 10.440 7.548 1.00 54.24 H new ATOM 0 HA ALA A 145 6.436 12.328 6.355 1.00 0.10 H new ATOM 0 HB1 ALA A 145 5.134 11.904 8.419 1.00 22.55 H new ATOM 0 HB2 ALA A 145 5.526 10.402 7.547 1.00 22.55 H new ATOM 0 HB3 ALA A 145 6.440 10.848 9.007 1.00 22.55 H new ATOM 2205 N TYR A 146 8.318 13.054 8.939 1.00 34.02 N ATOM 2206 CA TYR A 146 8.806 14.151 9.745 1.00 62.41 C ATOM 2207 C TYR A 146 10.309 14.270 9.600 1.00 65.42 C ATOM 2208 O TYR A 146 11.051 13.717 10.448 1.00 38.21 O ATOM 2209 CB TYR A 146 8.447 13.934 11.219 1.00 3.24 C ATOM 2210 CG TYR A 146 6.977 13.739 11.486 1.00 4.22 C ATOM 2211 CD1 TYR A 146 6.139 14.822 11.680 1.00 61.45 C ATOM 2212 CD2 TYR A 146 6.432 12.467 11.542 1.00 75.21 C ATOM 2213 CE1 TYR A 146 4.797 14.644 11.923 1.00 10.43 C ATOM 2214 CE2 TYR A 146 5.092 12.281 11.782 1.00 1.44 C ATOM 2215 CZ TYR A 146 4.281 13.371 11.971 1.00 30.15 C ATOM 2216 OH TYR A 146 2.952 13.186 12.215 1.00 42.35 O ATOM 2217 OXT TYR A 146 10.765 14.899 8.634 1.00 38.21 O ATOM 0 H TYR A 146 8.718 12.147 9.177 1.00 34.02 H new ATOM 0 HA TYR A 146 8.335 15.071 9.399 1.00 62.41 H new ATOM 0 HB2 TYR A 146 8.988 13.062 11.586 1.00 3.24 H new ATOM 0 HB3 TYR A 146 8.796 14.791 11.794 1.00 3.24 H new ATOM 0 HD1 TYR A 146 6.544 15.822 11.640 1.00 61.45 H new ATOM 0 HD2 TYR A 146 7.070 11.608 11.395 1.00 75.21 H new ATOM 0 HE1 TYR A 146 4.154 15.498 12.075 1.00 10.43 H new ATOM 0 HE2 TYR A 146 4.680 11.283 11.822 1.00 1.44 H new ATOM 0 HH TYR A 146 2.750 12.227 12.215 1.00 42.35 H new