USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= 0.577 K(o=1.1,f=-4.7!) USER MOD Set 1.2: A 74 SER OG : rot 42:sc= 0.555 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -147:sc= 0.874 (180deg=-0.524) USER MOD Set 2.2: A 48 GLN : amide:sc= 0.0979 K(o=0.97,f=-8.9!) USER MOD Single : A 29 THR OG1 : rot -81:sc= 1.4 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0914 USER MOD Single : A 44 SER OG : rot 180:sc= -0.719 USER MOD Single : A 49 GLN : amide:sc= -0.824 K(o=-0.82,f=-5.4!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.09 F(o=-1.8!,f=-0.09) USER MOD Single : A 72 THR OG1 : rot -69:sc= 1.3 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -43:sc= 0.421 USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -110:sc= 1.19 USER MOD Single : A 96 THR OG1 : rot 174:sc= 0.736 USER MOD Single : A 99 MET CE :methyl 178:sc= -0.092 (180deg=-0.1) USER MOD Single : A 104 THR OG1 : rot 78:sc= 1.26 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 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.767 F(o=-1.7!,f=-0.77) USER MOD Single : A 130 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.068) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 133 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.9!) USER MOD Single : A 142 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.87) USER MOD Single : A 144 MET CE :methyl 168:sc= -0.0343 (180deg=-0.25) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.574 5.582 -3.009 1.00 5.01 N ATOM 240 CA ALA A 18 -6.621 5.058 -3.970 1.00 63.40 C ATOM 241 C ALA A 18 -6.415 6.054 -5.096 1.00 34.35 C ATOM 242 O ALA A 18 -7.390 6.636 -5.623 1.00 75.45 O ATOM 243 CB ALA A 18 -7.125 3.735 -4.529 1.00 23.23 C ATOM 0 HA ALA A 18 -5.667 4.892 -3.469 1.00 63.40 H new ATOM 0 HB1 ALA A 18 -6.405 3.347 -5.250 1.00 23.23 H new ATOM 0 HB2 ALA A 18 -7.247 3.019 -3.716 1.00 23.23 H new ATOM 0 HB3 ALA A 18 -8.085 3.890 -5.022 1.00 23.23 H new ATOM 249 N GLY A 19 -5.174 6.285 -5.435 1.00 52.35 N ATOM 250 CA GLY A 19 -4.846 7.202 -6.483 1.00 73.11 C ATOM 251 C GLY A 19 -4.073 6.549 -7.609 1.00 15.11 C ATOM 252 O GLY A 19 -4.667 6.039 -8.571 1.00 35.41 O ATOM 0 H GLY A 19 -4.369 5.843 -4.992 1.00 52.35 H new ATOM 0 HA2 GLY A 19 -5.763 7.636 -6.881 1.00 73.11 H new ATOM 0 HA3 GLY A 19 -4.258 8.022 -6.072 1.00 73.11 H new ATOM 256 N ASP A 20 -2.762 6.535 -7.495 1.00 61.25 N ATOM 257 CA ASP A 20 -1.920 5.999 -8.551 1.00 34.20 C ATOM 258 C ASP A 20 -1.061 4.861 -8.041 1.00 65.31 C ATOM 259 O ASP A 20 -0.359 5.001 -7.041 1.00 64.23 O ATOM 260 CB ASP A 20 -1.048 7.101 -9.165 1.00 32.11 C ATOM 261 CG ASP A 20 -0.141 6.592 -10.265 1.00 25.42 C ATOM 262 OD1 ASP A 20 -0.649 6.028 -11.255 1.00 3.14 O ATOM 263 OD2 ASP A 20 1.095 6.741 -10.157 1.00 62.24 O ATOM 0 H ASP A 20 -2.254 6.887 -6.684 1.00 61.25 H new ATOM 0 HA ASP A 20 -2.573 5.605 -9.329 1.00 34.20 H new ATOM 0 HB2 ASP A 20 -1.691 7.885 -9.565 1.00 32.11 H new ATOM 0 HB3 ASP A 20 -0.441 7.555 -8.382 1.00 32.11 H new ATOM 268 N ASP A 21 -1.148 3.739 -8.717 1.00 72.23 N ATOM 269 CA ASP A 21 -0.390 2.545 -8.357 1.00 74.41 C ATOM 270 C ASP A 21 1.044 2.624 -8.865 1.00 52.34 C ATOM 271 O ASP A 21 1.297 3.105 -9.970 1.00 42.12 O ATOM 272 CB ASP A 21 -1.079 1.282 -8.878 1.00 21.34 C ATOM 273 CG ASP A 21 -0.256 0.037 -8.665 1.00 73.34 C ATOM 274 OD1 ASP A 21 0.375 -0.089 -7.595 1.00 3.11 O ATOM 275 OD2 ASP A 21 -0.177 -0.785 -9.590 1.00 40.21 O ATOM 0 H ASP A 21 -1.745 3.620 -9.535 1.00 72.23 H new ATOM 0 HA ASP A 21 -0.356 2.492 -7.269 1.00 74.41 H new ATOM 0 HB2 ASP A 21 -2.041 1.166 -8.378 1.00 21.34 H new ATOM 0 HB3 ASP A 21 -1.285 1.398 -9.942 1.00 21.34 H new ATOM 280 N VAL A 22 1.960 2.131 -8.066 1.00 2.33 N ATOM 281 CA VAL A 22 3.386 2.201 -8.335 1.00 34.34 C ATOM 282 C VAL A 22 3.924 0.802 -8.733 1.00 61.23 C ATOM 283 O VAL A 22 5.069 0.659 -9.220 1.00 0.12 O ATOM 284 CB VAL A 22 4.133 2.757 -7.066 1.00 13.23 C ATOM 285 CG1 VAL A 22 5.638 2.871 -7.268 1.00 43.01 C ATOM 286 CG2 VAL A 22 3.551 4.113 -6.655 1.00 42.13 C ATOM 0 H VAL A 22 1.735 1.659 -7.190 1.00 2.33 H new ATOM 0 HA VAL A 22 3.568 2.879 -9.169 1.00 34.34 H new ATOM 0 HB VAL A 22 3.973 2.033 -6.267 1.00 13.23 H new ATOM 0 HG11 VAL A 22 6.099 3.260 -6.360 1.00 43.01 H new ATOM 0 HG12 VAL A 22 6.051 1.887 -7.492 1.00 43.01 H new ATOM 0 HG13 VAL A 22 5.844 3.548 -8.097 1.00 43.01 H new ATOM 0 HG21 VAL A 22 4.078 4.484 -5.776 1.00 42.13 H new ATOM 0 HG22 VAL A 22 3.668 4.822 -7.474 1.00 42.13 H new ATOM 0 HG23 VAL A 22 2.492 3.999 -6.422 1.00 42.13 H new ATOM 296 N LEU A 23 3.081 -0.207 -8.569 1.00 11.12 N ATOM 297 CA LEU A 23 3.423 -1.597 -8.861 1.00 45.24 C ATOM 298 C LEU A 23 3.704 -1.859 -10.326 1.00 14.15 C ATOM 299 O LEU A 23 3.305 -1.097 -11.231 1.00 22.03 O ATOM 300 CB LEU A 23 2.282 -2.516 -8.443 1.00 71.41 C ATOM 301 CG LEU A 23 2.106 -2.772 -6.963 1.00 75.45 C ATOM 302 CD1 LEU A 23 0.726 -3.325 -6.713 1.00 72.01 C ATOM 303 CD2 LEU A 23 3.131 -3.781 -6.509 1.00 63.53 C ATOM 0 H LEU A 23 2.128 -0.085 -8.226 1.00 11.12 H new ATOM 0 HA LEU A 23 4.334 -1.797 -8.298 1.00 45.24 H new ATOM 0 HB2 LEU A 23 1.352 -2.095 -8.826 1.00 71.41 H new ATOM 0 HB3 LEU A 23 2.424 -3.477 -8.937 1.00 71.41 H new ATOM 0 HG LEU A 23 2.234 -1.840 -6.413 1.00 75.45 H new ATOM 0 HD11 LEU A 23 0.596 -3.511 -5.647 1.00 72.01 H new ATOM 0 HD12 LEU A 23 -0.021 -2.606 -7.050 1.00 72.01 H new ATOM 0 HD13 LEU A 23 0.603 -4.259 -7.261 1.00 72.01 H new ATOM 0 HD21 LEU A 23 3.009 -3.969 -5.442 1.00 63.53 H new ATOM 0 HD22 LEU A 23 2.994 -4.712 -7.060 1.00 63.53 H new ATOM 0 HD23 LEU A 23 4.132 -3.392 -6.696 1.00 63.53 H new ATOM 315 N ASP A 24 4.400 -2.946 -10.548 1.00 61.42 N ATOM 316 CA ASP A 24 4.600 -3.476 -11.868 1.00 72.44 C ATOM 317 C ASP A 24 3.327 -4.237 -12.206 1.00 50.34 C ATOM 318 O ASP A 24 2.792 -4.925 -11.330 1.00 53.32 O ATOM 319 CB ASP A 24 5.833 -4.414 -11.894 1.00 21.51 C ATOM 320 CG ASP A 24 5.967 -5.206 -13.180 1.00 64.51 C ATOM 321 OD1 ASP A 24 6.619 -4.718 -14.128 1.00 54.14 O ATOM 322 OD2 ASP A 24 5.437 -6.340 -13.257 1.00 0.43 O ATOM 0 H ASP A 24 4.846 -3.490 -9.810 1.00 61.42 H new ATOM 0 HA ASP A 24 4.793 -2.688 -12.596 1.00 72.44 H new ATOM 0 HB2 ASP A 24 6.735 -3.819 -11.748 1.00 21.51 H new ATOM 0 HB3 ASP A 24 5.769 -5.107 -11.055 1.00 21.51 H new ATOM 327 N PRO A 25 2.809 -4.122 -13.441 1.00 2.00 N ATOM 328 CA PRO A 25 1.524 -4.734 -13.842 1.00 52.43 C ATOM 329 C PRO A 25 1.362 -6.226 -13.489 1.00 12.44 C ATOM 330 O PRO A 25 0.234 -6.686 -13.244 1.00 71.24 O ATOM 331 CB PRO A 25 1.506 -4.536 -15.350 1.00 4.11 C ATOM 332 CG PRO A 25 2.294 -3.295 -15.569 1.00 73.41 C ATOM 333 CD PRO A 25 3.393 -3.328 -14.547 1.00 52.25 C ATOM 0 HA PRO A 25 0.699 -4.269 -13.303 1.00 52.43 H new ATOM 0 HB2 PRO A 25 1.951 -5.386 -15.868 1.00 4.11 H new ATOM 0 HB3 PRO A 25 0.488 -4.432 -15.725 1.00 4.11 H new ATOM 0 HG2 PRO A 25 2.700 -3.262 -16.580 1.00 73.41 H new ATOM 0 HG3 PRO A 25 1.671 -2.409 -15.446 1.00 73.41 H new ATOM 0 HD2 PRO A 25 4.296 -3.793 -14.943 1.00 52.25 H new ATOM 0 HD3 PRO A 25 3.668 -2.325 -14.220 1.00 52.25 H new ATOM 341 N ASP A 26 2.451 -6.965 -13.425 1.00 31.23 N ATOM 342 CA ASP A 26 2.371 -8.378 -13.087 1.00 61.44 C ATOM 343 C ASP A 26 3.146 -8.735 -11.846 1.00 24.50 C ATOM 344 O ASP A 26 3.512 -9.902 -11.634 1.00 75.32 O ATOM 345 CB ASP A 26 2.734 -9.286 -14.250 1.00 1.43 C ATOM 346 CG ASP A 26 1.539 -9.600 -15.115 1.00 20.52 C ATOM 347 OD1 ASP A 26 0.693 -10.435 -14.703 1.00 53.31 O ATOM 348 OD2 ASP A 26 1.397 -9.012 -16.214 1.00 24.33 O ATOM 0 H ASP A 26 3.394 -6.619 -13.600 1.00 31.23 H new ATOM 0 HA ASP A 26 1.320 -8.555 -12.861 1.00 61.44 H new ATOM 0 HB2 ASP A 26 3.505 -8.809 -14.856 1.00 1.43 H new ATOM 0 HB3 ASP A 26 3.158 -10.214 -13.867 1.00 1.43 H new ATOM 353 N GLU A 27 3.371 -7.748 -11.000 1.00 73.55 N ATOM 354 CA GLU A 27 3.976 -7.989 -9.711 1.00 51.32 C ATOM 355 C GLU A 27 2.879 -8.652 -8.870 1.00 10.10 C ATOM 356 O GLU A 27 1.700 -8.321 -9.079 1.00 61.44 O ATOM 357 CB GLU A 27 4.371 -6.645 -9.063 1.00 11.02 C ATOM 358 CG GLU A 27 5.362 -6.744 -7.907 1.00 55.42 C ATOM 359 CD GLU A 27 6.749 -7.160 -8.359 1.00 20.43 C ATOM 360 OE1 GLU A 27 6.933 -8.300 -8.810 1.00 25.43 O ATOM 361 OE2 GLU A 27 7.684 -6.341 -8.280 1.00 61.53 O ATOM 0 H GLU A 27 3.142 -6.771 -11.186 1.00 73.55 H new ATOM 0 HA GLU A 27 4.871 -8.606 -9.788 1.00 51.32 H new ATOM 0 HB2 GLU A 27 4.798 -6.002 -9.832 1.00 11.02 H new ATOM 0 HB3 GLU A 27 3.467 -6.154 -8.703 1.00 11.02 H new ATOM 0 HG2 GLU A 27 5.423 -5.780 -7.402 1.00 55.42 H new ATOM 0 HG3 GLU A 27 4.991 -7.463 -7.177 1.00 55.42 H new ATOM 368 N PRO A 28 3.214 -9.633 -7.981 1.00 44.51 N ATOM 369 CA PRO A 28 2.253 -10.295 -7.090 1.00 41.12 C ATOM 370 C PRO A 28 1.222 -9.316 -6.512 1.00 24.11 C ATOM 371 O PRO A 28 1.535 -8.460 -5.653 1.00 13.21 O ATOM 372 CB PRO A 28 3.136 -10.884 -5.968 1.00 2.21 C ATOM 373 CG PRO A 28 4.552 -10.573 -6.351 1.00 34.44 C ATOM 374 CD PRO A 28 4.539 -10.212 -7.806 1.00 32.04 C ATOM 0 HA PRO A 28 1.664 -11.046 -7.617 1.00 41.12 H new ATOM 0 HB2 PRO A 28 2.887 -10.443 -5.003 1.00 2.21 H new ATOM 0 HB3 PRO A 28 2.984 -11.959 -5.876 1.00 2.21 H new ATOM 0 HG2 PRO A 28 4.942 -9.750 -5.752 1.00 34.44 H new ATOM 0 HG3 PRO A 28 5.198 -11.432 -6.172 1.00 34.44 H new ATOM 0 HD2 PRO A 28 5.327 -9.501 -8.054 1.00 32.04 H new ATOM 0 HD3 PRO A 28 4.686 -11.085 -8.441 1.00 32.04 H new ATOM 382 N THR A 29 0.015 -9.423 -6.989 1.00 3.31 N ATOM 383 CA THR A 29 -1.029 -8.511 -6.645 1.00 1.34 C ATOM 384 C THR A 29 -2.293 -9.212 -6.199 1.00 1.30 C ATOM 385 O THR A 29 -2.410 -10.438 -6.294 1.00 21.42 O ATOM 386 CB THR A 29 -1.335 -7.612 -7.852 1.00 10.04 C ATOM 387 OG1 THR A 29 -1.044 -8.334 -9.074 1.00 52.31 O ATOM 388 CG2 THR A 29 -0.530 -6.337 -7.803 1.00 13.11 C ATOM 0 H THR A 29 -0.272 -10.157 -7.636 1.00 3.31 H new ATOM 0 HA THR A 29 -0.679 -7.916 -5.802 1.00 1.34 H new ATOM 0 HB THR A 29 -2.391 -7.342 -7.824 1.00 10.04 H new ATOM 0 HG1 THR A 29 -0.081 -8.301 -9.252 1.00 52.31 H new ATOM 0 HG21 THR A 29 -0.769 -5.722 -8.671 1.00 13.11 H new ATOM 0 HG22 THR A 29 -0.772 -5.789 -6.892 1.00 13.11 H new ATOM 0 HG23 THR A 29 0.533 -6.577 -7.810 1.00 13.11 H new ATOM 396 N TYR A 30 -3.171 -8.436 -5.631 1.00 25.11 N ATOM 397 CA TYR A 30 -4.483 -8.820 -5.273 1.00 14.44 C ATOM 398 C TYR A 30 -5.409 -7.776 -5.798 1.00 74.02 C ATOM 399 O TYR A 30 -4.998 -6.640 -6.043 1.00 21.55 O ATOM 400 CB TYR A 30 -4.682 -8.991 -3.764 1.00 5.24 C ATOM 401 CG TYR A 30 -4.043 -10.219 -3.184 1.00 61.22 C ATOM 402 CD1 TYR A 30 -4.294 -11.466 -3.732 1.00 13.33 C ATOM 403 CD2 TYR A 30 -3.190 -10.138 -2.109 1.00 3.34 C ATOM 404 CE1 TYR A 30 -3.714 -12.598 -3.225 1.00 33.54 C ATOM 405 CE2 TYR A 30 -2.598 -11.266 -1.589 1.00 33.22 C ATOM 406 CZ TYR A 30 -2.864 -12.499 -2.159 1.00 33.34 C ATOM 407 OH TYR A 30 -2.270 -13.631 -1.662 1.00 13.41 O ATOM 0 H TYR A 30 -2.966 -7.465 -5.397 1.00 25.11 H new ATOM 0 HA TYR A 30 -4.685 -9.800 -5.706 1.00 14.44 H new ATOM 0 HB2 TYR A 30 -4.280 -8.114 -3.256 1.00 5.24 H new ATOM 0 HB3 TYR A 30 -5.751 -9.020 -3.553 1.00 5.24 H new ATOM 0 HD1 TYR A 30 -4.961 -11.547 -4.577 1.00 13.33 H new ATOM 0 HD2 TYR A 30 -2.982 -9.175 -1.666 1.00 3.34 H new ATOM 0 HE1 TYR A 30 -3.926 -13.562 -3.664 1.00 33.54 H new ATOM 0 HE2 TYR A 30 -1.931 -11.190 -0.743 1.00 33.22 H new ATOM 0 HH TYR A 30 -1.694 -13.393 -0.906 1.00 13.41 H new ATOM 417 N ASP A 31 -6.616 -8.133 -5.916 1.00 62.53 N ATOM 418 CA ASP A 31 -7.656 -7.312 -6.457 1.00 72.50 C ATOM 419 C ASP A 31 -8.778 -7.511 -5.490 1.00 22.21 C ATOM 420 O ASP A 31 -8.753 -8.506 -4.769 1.00 55.12 O ATOM 421 CB ASP A 31 -8.083 -7.828 -7.858 1.00 41.01 C ATOM 422 CG ASP A 31 -6.940 -7.923 -8.873 1.00 43.51 C ATOM 423 OD1 ASP A 31 -6.250 -8.970 -8.926 1.00 31.43 O ATOM 424 OD2 ASP A 31 -6.727 -6.979 -9.661 1.00 3.03 O ATOM 0 H ASP A 31 -6.945 -9.054 -5.627 1.00 62.53 H new ATOM 0 HA ASP A 31 -7.356 -6.271 -6.580 1.00 72.50 H new ATOM 0 HB2 ASP A 31 -8.536 -8.813 -7.746 1.00 41.01 H new ATOM 0 HB3 ASP A 31 -8.852 -7.167 -8.256 1.00 41.01 H new ATOM 429 N LEU A 32 -9.738 -6.617 -5.447 1.00 53.22 N ATOM 430 CA LEU A 32 -10.795 -6.637 -4.411 1.00 4.34 C ATOM 431 C LEU A 32 -11.470 -8.028 -4.200 1.00 21.45 C ATOM 432 O LEU A 32 -11.428 -8.559 -3.080 1.00 23.10 O ATOM 433 CB LEU A 32 -11.818 -5.505 -4.616 1.00 4.15 C ATOM 434 CG LEU A 32 -11.253 -4.077 -4.553 1.00 63.45 C ATOM 435 CD1 LEU A 32 -12.348 -3.060 -4.795 1.00 64.01 C ATOM 436 CD2 LEU A 32 -10.573 -3.813 -3.213 1.00 21.51 C ATOM 0 H LEU A 32 -9.826 -5.852 -6.116 1.00 53.22 H new ATOM 0 HA LEU A 32 -10.279 -6.445 -3.470 1.00 4.34 H new ATOM 0 HB2 LEU A 32 -12.297 -5.644 -5.585 1.00 4.15 H new ATOM 0 HB3 LEU A 32 -12.596 -5.602 -3.859 1.00 4.15 H new ATOM 0 HG LEU A 32 -10.504 -3.979 -5.339 1.00 63.45 H new ATOM 0 HD11 LEU A 32 -11.928 -2.055 -4.746 1.00 64.01 H new ATOM 0 HD12 LEU A 32 -12.785 -3.224 -5.780 1.00 64.01 H new ATOM 0 HD13 LEU A 32 -13.120 -3.168 -4.033 1.00 64.01 H new ATOM 0 HD21 LEU A 32 -10.183 -2.795 -3.197 1.00 21.51 H new ATOM 0 HD22 LEU A 32 -11.296 -3.937 -2.407 1.00 21.51 H new ATOM 0 HD23 LEU A 32 -9.753 -4.518 -3.076 1.00 21.51 H new ATOM 448 N PRO A 33 -12.057 -8.668 -5.248 1.00 33.42 N ATOM 449 CA PRO A 33 -12.653 -10.009 -5.097 1.00 34.01 C ATOM 450 C PRO A 33 -11.599 -11.082 -4.733 1.00 60.23 C ATOM 451 O PRO A 33 -11.883 -12.035 -4.017 1.00 52.21 O ATOM 452 CB PRO A 33 -13.258 -10.298 -6.480 1.00 40.32 C ATOM 453 CG PRO A 33 -12.554 -9.373 -7.416 1.00 5.43 C ATOM 454 CD PRO A 33 -12.237 -8.145 -6.626 1.00 12.23 C ATOM 0 HA PRO A 33 -13.383 -10.038 -4.288 1.00 34.01 H new ATOM 0 HB2 PRO A 33 -13.106 -11.339 -6.766 1.00 40.32 H new ATOM 0 HB3 PRO A 33 -14.333 -10.120 -6.485 1.00 40.32 H new ATOM 0 HG2 PRO A 33 -11.645 -9.831 -7.806 1.00 5.43 H new ATOM 0 HG3 PRO A 33 -13.183 -9.133 -8.273 1.00 5.43 H new ATOM 0 HD2 PRO A 33 -11.336 -7.652 -6.991 1.00 12.23 H new ATOM 0 HD3 PRO A 33 -13.043 -7.413 -6.677 1.00 12.23 H new ATOM 462 N ARG A 34 -10.383 -10.884 -5.203 1.00 5.44 N ATOM 463 CA ARG A 34 -9.284 -11.799 -4.963 1.00 70.32 C ATOM 464 C ARG A 34 -8.859 -11.724 -3.481 1.00 10.41 C ATOM 465 O ARG A 34 -8.466 -12.715 -2.893 1.00 3.03 O ATOM 466 CB ARG A 34 -8.127 -11.388 -5.848 1.00 12.30 C ATOM 467 CG ARG A 34 -7.002 -12.382 -5.996 1.00 43.14 C ATOM 468 CD ARG A 34 -7.453 -13.600 -6.760 1.00 50.35 C ATOM 469 NE ARG A 34 -6.312 -14.331 -7.310 1.00 75.42 N ATOM 470 CZ ARG A 34 -6.391 -15.427 -8.062 1.00 62.05 C ATOM 471 NH1 ARG A 34 -7.558 -16.052 -8.227 1.00 63.35 N ATOM 472 NH2 ARG A 34 -5.292 -15.918 -8.627 1.00 5.43 N ATOM 0 H ARG A 34 -10.127 -10.074 -5.768 1.00 5.44 H new ATOM 0 HA ARG A 34 -9.587 -12.821 -5.189 1.00 70.32 H new ATOM 0 HB2 ARG A 34 -8.519 -11.168 -6.841 1.00 12.30 H new ATOM 0 HB3 ARG A 34 -7.712 -10.460 -5.456 1.00 12.30 H new ATOM 0 HG2 ARG A 34 -6.164 -11.914 -6.513 1.00 43.14 H new ATOM 0 HG3 ARG A 34 -6.643 -12.679 -5.011 1.00 43.14 H new ATOM 0 HD2 ARG A 34 -8.025 -14.254 -6.102 1.00 50.35 H new ATOM 0 HD3 ARG A 34 -8.120 -13.299 -7.568 1.00 50.35 H new ATOM 0 HE ARG A 34 -5.380 -13.972 -7.101 1.00 75.42 H new ATOM 0 HH11 ARG A 34 -8.398 -15.691 -7.775 1.00 63.35 H new ATOM 0 HH12 ARG A 34 -7.610 -16.891 -8.805 1.00 63.35 H new ATOM 0 HH21 ARG A 34 -4.394 -15.455 -8.483 1.00 5.43 H new ATOM 0 HH22 ARG A 34 -5.347 -16.757 -9.204 1.00 5.43 H new ATOM 486 N VAL A 35 -8.939 -10.533 -2.894 1.00 24.24 N ATOM 487 CA VAL A 35 -8.609 -10.354 -1.473 1.00 34.41 C ATOM 488 C VAL A 35 -9.666 -11.033 -0.631 1.00 72.23 C ATOM 489 O VAL A 35 -9.362 -11.692 0.380 1.00 54.41 O ATOM 490 CB VAL A 35 -8.497 -8.852 -1.056 1.00 42.40 C ATOM 491 CG1 VAL A 35 -8.139 -8.710 0.420 1.00 51.21 C ATOM 492 CG2 VAL A 35 -7.477 -8.127 -1.898 1.00 22.51 C ATOM 0 H VAL A 35 -9.227 -9.679 -3.372 1.00 24.24 H new ATOM 0 HA VAL A 35 -7.629 -10.803 -1.308 1.00 34.41 H new ATOM 0 HB VAL A 35 -9.475 -8.401 -1.222 1.00 42.40 H new ATOM 0 HG11 VAL A 35 -8.069 -7.653 0.677 1.00 51.21 H new ATOM 0 HG12 VAL A 35 -8.911 -9.181 1.029 1.00 51.21 H new ATOM 0 HG13 VAL A 35 -7.181 -9.194 0.610 1.00 51.21 H new ATOM 0 HG21 VAL A 35 -7.421 -7.084 -1.585 1.00 22.51 H new ATOM 0 HG22 VAL A 35 -6.501 -8.596 -1.772 1.00 22.51 H new ATOM 0 HG23 VAL A 35 -7.770 -8.176 -2.947 1.00 22.51 H new ATOM 502 N ALA A 36 -10.901 -10.892 -1.076 1.00 61.31 N ATOM 503 CA ALA A 36 -12.030 -11.525 -0.443 1.00 52.33 C ATOM 504 C ALA A 36 -11.835 -13.037 -0.456 1.00 52.40 C ATOM 505 O ALA A 36 -12.116 -13.718 0.521 1.00 21.15 O ATOM 506 CB ALA A 36 -13.310 -11.140 -1.172 1.00 62.14 C ATOM 0 H ALA A 36 -11.144 -10.331 -1.892 1.00 61.31 H new ATOM 0 HA ALA A 36 -12.109 -11.191 0.591 1.00 52.33 H new ATOM 0 HB1 ALA A 36 -14.162 -11.621 -0.690 1.00 62.14 H new ATOM 0 HB2 ALA A 36 -13.437 -10.058 -1.138 1.00 62.14 H new ATOM 0 HB3 ALA A 36 -13.249 -11.465 -2.211 1.00 62.14 H new ATOM 512 N GLU A 37 -11.296 -13.520 -1.557 1.00 25.22 N ATOM 513 CA GLU A 37 -11.001 -14.923 -1.777 1.00 71.22 C ATOM 514 C GLU A 37 -9.896 -15.397 -0.823 1.00 2.52 C ATOM 515 O GLU A 37 -10.014 -16.446 -0.187 1.00 15.51 O ATOM 516 CB GLU A 37 -10.503 -15.056 -3.206 1.00 45.34 C ATOM 517 CG GLU A 37 -10.361 -16.472 -3.721 1.00 41.54 C ATOM 518 CD GLU A 37 -9.864 -16.500 -5.144 1.00 10.31 C ATOM 519 OE1 GLU A 37 -10.678 -16.298 -6.071 1.00 45.25 O ATOM 520 OE2 GLU A 37 -8.654 -16.721 -5.368 1.00 43.50 O ATOM 0 H GLU A 37 -11.043 -12.929 -2.349 1.00 25.22 H new ATOM 0 HA GLU A 37 -11.892 -15.525 -1.600 1.00 71.22 H new ATOM 0 HB2 GLU A 37 -11.187 -14.517 -3.862 1.00 45.34 H new ATOM 0 HB3 GLU A 37 -9.534 -14.562 -3.281 1.00 45.34 H new ATOM 0 HG2 GLU A 37 -9.670 -17.024 -3.083 1.00 41.54 H new ATOM 0 HG3 GLU A 37 -11.324 -16.979 -3.662 1.00 41.54 H new ATOM 527 N LEU A 38 -8.848 -14.592 -0.716 1.00 51.04 N ATOM 528 CA LEU A 38 -7.686 -14.897 0.109 1.00 44.25 C ATOM 529 C LEU A 38 -8.062 -15.046 1.579 1.00 43.31 C ATOM 530 O LEU A 38 -7.683 -16.023 2.244 1.00 4.14 O ATOM 531 CB LEU A 38 -6.637 -13.781 -0.021 1.00 44.34 C ATOM 532 CG LEU A 38 -5.366 -13.963 0.822 1.00 41.10 C ATOM 533 CD1 LEU A 38 -4.501 -15.088 0.282 1.00 75.44 C ATOM 534 CD2 LEU A 38 -4.583 -12.665 0.929 1.00 23.33 C ATOM 0 H LEU A 38 -8.779 -13.699 -1.204 1.00 51.04 H new ATOM 0 HA LEU A 38 -7.278 -15.843 -0.245 1.00 44.25 H new ATOM 0 HB2 LEU A 38 -6.348 -13.699 -1.069 1.00 44.34 H new ATOM 0 HB3 LEU A 38 -7.103 -12.835 0.256 1.00 44.34 H new ATOM 0 HG LEU A 38 -5.677 -14.243 1.829 1.00 41.10 H new ATOM 0 HD11 LEU A 38 -3.610 -15.191 0.901 1.00 75.44 H new ATOM 0 HD12 LEU A 38 -5.065 -16.021 0.300 1.00 75.44 H new ATOM 0 HD13 LEU A 38 -4.207 -14.861 -0.743 1.00 75.44 H new ATOM 0 HD21 LEU A 38 -3.690 -12.828 1.532 1.00 23.33 H new ATOM 0 HD22 LEU A 38 -4.293 -12.332 -0.067 1.00 23.33 H new ATOM 0 HD23 LEU A 38 -5.204 -11.903 1.400 1.00 23.33 H new ATOM 546 N LEU A 39 -8.800 -14.089 2.077 1.00 11.24 N ATOM 547 CA LEU A 39 -9.135 -14.056 3.485 1.00 31.43 C ATOM 548 C LEU A 39 -10.423 -14.835 3.773 1.00 4.14 C ATOM 549 O LEU A 39 -10.695 -15.195 4.909 1.00 2.14 O ATOM 550 CB LEU A 39 -9.272 -12.604 3.958 1.00 64.13 C ATOM 551 CG LEU A 39 -8.075 -11.673 3.688 1.00 42.40 C ATOM 552 CD1 LEU A 39 -8.371 -10.268 4.188 1.00 3.13 C ATOM 553 CD2 LEU A 39 -6.799 -12.205 4.328 1.00 21.33 C ATOM 0 H LEU A 39 -9.184 -13.318 1.531 1.00 11.24 H new ATOM 0 HA LEU A 39 -8.327 -14.537 4.036 1.00 31.43 H new ATOM 0 HB2 LEU A 39 -10.153 -12.173 3.482 1.00 64.13 H new ATOM 0 HB3 LEU A 39 -9.461 -12.612 5.031 1.00 64.13 H new ATOM 0 HG LEU A 39 -7.918 -11.639 2.610 1.00 42.40 H new ATOM 0 HD11 LEU A 39 -7.515 -9.623 3.989 1.00 3.13 H new ATOM 0 HD12 LEU A 39 -9.248 -9.876 3.673 1.00 3.13 H new ATOM 0 HD13 LEU A 39 -8.563 -10.296 5.261 1.00 3.13 H new ATOM 0 HD21 LEU A 39 -5.975 -11.523 4.117 1.00 21.33 H new ATOM 0 HD22 LEU A 39 -6.938 -12.284 5.406 1.00 21.33 H new ATOM 0 HD23 LEU A 39 -6.570 -13.189 3.919 1.00 21.33 H new ATOM 565 N GLY A 40 -11.207 -15.084 2.747 1.00 21.42 N ATOM 566 CA GLY A 40 -12.467 -15.791 2.920 1.00 63.34 C ATOM 567 C GLY A 40 -13.555 -14.860 3.425 1.00 71.03 C ATOM 568 O GLY A 40 -14.618 -15.299 3.878 1.00 64.01 O ATOM 0 H GLY A 40 -11.000 -14.811 1.786 1.00 21.42 H new ATOM 0 HA2 GLY A 40 -12.773 -16.231 1.971 1.00 63.34 H new ATOM 0 HA3 GLY A 40 -12.332 -16.612 3.624 1.00 63.34 H new ATOM 572 N VAL A 41 -13.297 -13.582 3.302 1.00 30.41 N ATOM 573 CA VAL A 41 -14.182 -12.549 3.796 1.00 53.21 C ATOM 574 C VAL A 41 -14.918 -11.945 2.617 1.00 73.02 C ATOM 575 O VAL A 41 -14.513 -12.153 1.483 1.00 32.24 O ATOM 576 CB VAL A 41 -13.384 -11.415 4.540 1.00 60.33 C ATOM 577 CG1 VAL A 41 -12.570 -11.969 5.695 1.00 30.24 C ATOM 578 CG2 VAL A 41 -12.496 -10.622 3.578 1.00 32.14 C ATOM 0 H VAL A 41 -12.456 -13.222 2.851 1.00 30.41 H new ATOM 0 HA VAL A 41 -14.878 -12.995 4.507 1.00 53.21 H new ATOM 0 HB VAL A 41 -14.122 -10.727 4.952 1.00 60.33 H new ATOM 0 HG11 VAL A 41 -12.033 -11.156 6.184 1.00 30.24 H new ATOM 0 HG12 VAL A 41 -13.236 -12.448 6.413 1.00 30.24 H new ATOM 0 HG13 VAL A 41 -11.856 -12.701 5.318 1.00 30.24 H new ATOM 0 HG21 VAL A 41 -11.962 -9.849 4.130 1.00 32.14 H new ATOM 0 HG22 VAL A 41 -11.778 -11.294 3.108 1.00 32.14 H new ATOM 0 HG23 VAL A 41 -13.115 -10.158 2.810 1.00 32.14 H new ATOM 588 N PRO A 42 -16.018 -11.248 2.832 1.00 4.13 N ATOM 589 CA PRO A 42 -16.671 -10.540 1.755 1.00 1.53 C ATOM 590 C PRO A 42 -15.902 -9.249 1.385 1.00 61.43 C ATOM 591 O PRO A 42 -15.098 -8.715 2.198 1.00 32.12 O ATOM 592 CB PRO A 42 -18.052 -10.215 2.326 1.00 20.23 C ATOM 593 CG PRO A 42 -17.844 -10.151 3.801 1.00 10.21 C ATOM 594 CD PRO A 42 -16.758 -11.138 4.112 1.00 61.24 C ATOM 0 HA PRO A 42 -16.719 -11.122 0.835 1.00 1.53 H new ATOM 0 HB2 PRO A 42 -18.429 -9.269 1.937 1.00 20.23 H new ATOM 0 HB3 PRO A 42 -18.781 -10.981 2.061 1.00 20.23 H new ATOM 0 HG2 PRO A 42 -17.557 -9.146 4.111 1.00 10.21 H new ATOM 0 HG3 PRO A 42 -18.761 -10.400 4.335 1.00 10.21 H new ATOM 0 HD2 PRO A 42 -16.115 -10.787 4.919 1.00 61.24 H new ATOM 0 HD3 PRO A 42 -17.166 -12.099 4.424 1.00 61.24 H new ATOM 602 N VAL A 43 -16.156 -8.747 0.181 1.00 24.34 N ATOM 603 CA VAL A 43 -15.522 -7.526 -0.336 1.00 50.52 C ATOM 604 C VAL A 43 -15.826 -6.354 0.589 1.00 4.32 C ATOM 605 O VAL A 43 -15.007 -5.459 0.790 1.00 1.13 O ATOM 606 CB VAL A 43 -15.979 -7.205 -1.788 1.00 0.24 C ATOM 607 CG1 VAL A 43 -15.282 -5.951 -2.325 1.00 31.41 C ATOM 608 CG2 VAL A 43 -15.710 -8.388 -2.711 1.00 55.12 C ATOM 0 H VAL A 43 -16.812 -9.175 -0.473 1.00 24.34 H new ATOM 0 HA VAL A 43 -14.446 -7.695 -0.366 1.00 50.52 H new ATOM 0 HB VAL A 43 -17.052 -7.015 -1.762 1.00 0.24 H new ATOM 0 HG11 VAL A 43 -15.622 -5.753 -3.341 1.00 31.41 H new ATOM 0 HG12 VAL A 43 -15.524 -5.100 -1.689 1.00 31.41 H new ATOM 0 HG13 VAL A 43 -14.203 -6.107 -2.327 1.00 31.41 H new ATOM 0 HG21 VAL A 43 -16.037 -8.143 -3.721 1.00 55.12 H new ATOM 0 HG22 VAL A 43 -14.643 -8.608 -2.718 1.00 55.12 H new ATOM 0 HG23 VAL A 43 -16.258 -9.260 -2.354 1.00 55.12 H new ATOM 618 N SER A 44 -16.988 -6.402 1.171 1.00 43.15 N ATOM 619 CA SER A 44 -17.434 -5.430 2.111 1.00 52.53 C ATOM 620 C SER A 44 -16.490 -5.337 3.330 1.00 52.50 C ATOM 621 O SER A 44 -16.240 -4.240 3.835 1.00 44.44 O ATOM 622 CB SER A 44 -18.821 -5.808 2.507 1.00 1.33 C ATOM 623 OG SER A 44 -18.874 -7.198 2.765 1.00 34.12 O ATOM 0 H SER A 44 -17.668 -7.142 0.996 1.00 43.15 H new ATOM 0 HA SER A 44 -17.427 -4.436 1.663 1.00 52.53 H new ATOM 0 HB2 SER A 44 -19.122 -5.251 3.394 1.00 1.33 H new ATOM 0 HB3 SER A 44 -19.521 -5.547 1.713 1.00 1.33 H new ATOM 0 HG SER A 44 -19.785 -7.448 3.027 1.00 34.12 H new ATOM 629 N LYS A 45 -15.951 -6.481 3.792 1.00 13.25 N ATOM 630 CA LYS A 45 -14.974 -6.452 4.866 1.00 22.14 C ATOM 631 C LYS A 45 -13.670 -5.856 4.382 1.00 73.55 C ATOM 632 O LYS A 45 -12.973 -5.185 5.134 1.00 61.45 O ATOM 633 CB LYS A 45 -14.768 -7.803 5.572 1.00 22.31 C ATOM 634 CG LYS A 45 -13.669 -7.736 6.638 1.00 42.00 C ATOM 635 CD LYS A 45 -13.737 -8.856 7.656 1.00 41.41 C ATOM 636 CE LYS A 45 -14.942 -8.699 8.580 1.00 72.43 C ATOM 637 NZ LYS A 45 -14.939 -7.402 9.292 1.00 50.43 N ATOM 0 H LYS A 45 -16.177 -7.411 3.440 1.00 13.25 H new ATOM 0 HA LYS A 45 -15.389 -5.804 5.638 1.00 22.14 H new ATOM 0 HB2 LYS A 45 -15.704 -8.115 6.036 1.00 22.31 H new ATOM 0 HB3 LYS A 45 -14.510 -8.562 4.833 1.00 22.31 H new ATOM 0 HG2 LYS A 45 -12.697 -7.763 6.146 1.00 42.00 H new ATOM 0 HG3 LYS A 45 -13.737 -6.780 7.158 1.00 42.00 H new ATOM 0 HD2 LYS A 45 -13.795 -9.815 7.141 1.00 41.41 H new ATOM 0 HD3 LYS A 45 -12.822 -8.867 8.248 1.00 41.41 H new ATOM 0 HE2 LYS A 45 -15.858 -8.788 7.997 1.00 72.43 H new ATOM 0 HE3 LYS A 45 -14.947 -9.510 9.308 1.00 72.43 H new ATOM 0 HZ1 LYS A 45 -15.363 -7.522 10.234 1.00 50.43 H new ATOM 0 HZ2 LYS A 45 -13.961 -7.064 9.393 1.00 50.43 H new ATOM 0 HZ3 LYS A 45 -15.491 -6.707 8.750 1.00 50.43 H new ATOM 651 N VAL A 46 -13.352 -6.083 3.123 1.00 31.44 N ATOM 652 CA VAL A 46 -12.171 -5.460 2.516 1.00 41.31 C ATOM 653 C VAL A 46 -12.347 -3.943 2.557 1.00 44.24 C ATOM 654 O VAL A 46 -11.427 -3.201 2.922 1.00 73.25 O ATOM 655 CB VAL A 46 -11.941 -5.938 1.055 1.00 34.25 C ATOM 656 CG1 VAL A 46 -10.704 -5.284 0.462 1.00 63.30 C ATOM 657 CG2 VAL A 46 -11.821 -7.458 0.995 1.00 53.53 C ATOM 0 H VAL A 46 -13.884 -6.688 2.497 1.00 31.44 H new ATOM 0 HA VAL A 46 -11.290 -5.757 3.085 1.00 41.31 H new ATOM 0 HB VAL A 46 -12.805 -5.638 0.462 1.00 34.25 H new ATOM 0 HG11 VAL A 46 -10.563 -5.633 -0.561 1.00 63.30 H new ATOM 0 HG12 VAL A 46 -10.830 -4.201 0.462 1.00 63.30 H new ATOM 0 HG13 VAL A 46 -9.831 -5.548 1.059 1.00 63.30 H new ATOM 0 HG21 VAL A 46 -11.660 -7.770 -0.037 1.00 53.53 H new ATOM 0 HG22 VAL A 46 -10.979 -7.781 1.607 1.00 53.53 H new ATOM 0 HG23 VAL A 46 -12.738 -7.911 1.372 1.00 53.53 H new ATOM 667 N ALA A 47 -13.552 -3.501 2.253 1.00 21.22 N ATOM 668 CA ALA A 47 -13.901 -2.102 2.349 1.00 31.13 C ATOM 669 C ALA A 47 -13.776 -1.616 3.806 1.00 32.21 C ATOM 670 O ALA A 47 -13.331 -0.504 4.051 1.00 3.13 O ATOM 671 CB ALA A 47 -15.303 -1.861 1.800 1.00 65.52 C ATOM 0 H ALA A 47 -14.312 -4.101 1.934 1.00 21.22 H new ATOM 0 HA ALA A 47 -13.204 -1.524 1.743 1.00 31.13 H new ATOM 0 HB1 ALA A 47 -15.548 -0.802 1.881 1.00 65.52 H new ATOM 0 HB2 ALA A 47 -15.341 -2.164 0.754 1.00 65.52 H new ATOM 0 HB3 ALA A 47 -16.023 -2.445 2.373 1.00 65.52 H new ATOM 677 N GLN A 48 -14.129 -2.481 4.765 1.00 35.33 N ATOM 678 CA GLN A 48 -14.032 -2.153 6.204 1.00 20.13 C ATOM 679 C GLN A 48 -12.592 -1.951 6.617 1.00 44.43 C ATOM 680 O GLN A 48 -12.297 -1.106 7.447 1.00 1.43 O ATOM 681 CB GLN A 48 -14.622 -3.235 7.096 1.00 32.33 C ATOM 682 CG GLN A 48 -16.088 -3.496 6.917 1.00 61.03 C ATOM 683 CD GLN A 48 -16.577 -4.542 7.880 1.00 45.54 C ATOM 684 OE1 GLN A 48 -16.541 -5.740 7.589 1.00 40.20 O ATOM 685 NE2 GLN A 48 -17.053 -4.122 9.013 1.00 34.43 N ATOM 0 H GLN A 48 -14.486 -3.417 4.576 1.00 35.33 H new ATOM 0 HA GLN A 48 -14.605 -1.235 6.334 1.00 20.13 H new ATOM 0 HB2 GLN A 48 -14.081 -4.164 6.915 1.00 32.33 H new ATOM 0 HB3 GLN A 48 -14.445 -2.960 8.136 1.00 32.33 H new ATOM 0 HG2 GLN A 48 -16.645 -2.571 7.067 1.00 61.03 H new ATOM 0 HG3 GLN A 48 -16.280 -3.822 5.895 1.00 61.03 H new ATOM 0 HE21 GLN A 48 -17.068 -3.124 9.221 1.00 34.43 H new ATOM 0 HE22 GLN A 48 -17.412 -4.791 9.695 1.00 34.43 H new ATOM 694 N GLN A 49 -11.693 -2.741 6.028 1.00 71.51 N ATOM 695 CA GLN A 49 -10.264 -2.623 6.310 1.00 60.23 C ATOM 696 C GLN A 49 -9.820 -1.224 5.920 1.00 71.22 C ATOM 697 O GLN A 49 -9.175 -0.514 6.698 1.00 42.40 O ATOM 698 CB GLN A 49 -9.453 -3.668 5.521 1.00 2.42 C ATOM 699 CG GLN A 49 -9.917 -5.121 5.688 1.00 60.31 C ATOM 700 CD GLN A 49 -9.810 -5.672 7.104 1.00 41.34 C ATOM 701 OE1 GLN A 49 -9.900 -4.949 8.093 1.00 52.35 O ATOM 702 NE2 GLN A 49 -9.646 -6.967 7.211 1.00 61.53 N ATOM 0 H GLN A 49 -11.930 -3.468 5.353 1.00 71.51 H new ATOM 0 HA GLN A 49 -10.089 -2.802 7.371 1.00 60.23 H new ATOM 0 HB2 GLN A 49 -9.493 -3.411 4.463 1.00 2.42 H new ATOM 0 HB3 GLN A 49 -8.409 -3.600 5.827 1.00 2.42 H new ATOM 0 HG2 GLN A 49 -10.955 -5.195 5.363 1.00 60.31 H new ATOM 0 HG3 GLN A 49 -9.329 -5.753 5.023 1.00 60.31 H new ATOM 0 HE21 GLN A 49 -9.574 -7.543 6.372 1.00 61.53 H new ATOM 0 HE22 GLN A 49 -9.590 -7.400 8.133 1.00 61.53 H new ATOM 711 N LEU A 50 -10.247 -0.823 4.738 1.00 12.42 N ATOM 712 CA LEU A 50 -9.997 0.503 4.208 1.00 32.24 C ATOM 713 C LEU A 50 -10.650 1.566 5.100 1.00 14.12 C ATOM 714 O LEU A 50 -10.073 2.610 5.356 1.00 41.02 O ATOM 715 CB LEU A 50 -10.537 0.599 2.762 1.00 72.20 C ATOM 716 CG LEU A 50 -9.582 0.235 1.602 1.00 74.15 C ATOM 717 CD1 LEU A 50 -8.451 1.242 1.501 1.00 34.32 C ATOM 718 CD2 LEU A 50 -9.026 -1.181 1.737 1.00 1.23 C ATOM 0 H LEU A 50 -10.786 -1.419 4.109 1.00 12.42 H new ATOM 0 HA LEU A 50 -8.922 0.684 4.194 1.00 32.24 H new ATOM 0 HB2 LEU A 50 -11.412 -0.048 2.689 1.00 72.20 H new ATOM 0 HB3 LEU A 50 -10.882 1.621 2.602 1.00 72.20 H new ATOM 0 HG LEU A 50 -10.167 0.269 0.683 1.00 74.15 H new ATOM 0 HD11 LEU A 50 -7.791 0.967 0.678 1.00 34.32 H new ATOM 0 HD12 LEU A 50 -8.863 2.235 1.319 1.00 34.32 H new ATOM 0 HD13 LEU A 50 -7.886 1.249 2.433 1.00 34.32 H new ATOM 0 HD21 LEU A 50 -8.361 -1.392 0.900 1.00 1.23 H new ATOM 0 HD22 LEU A 50 -8.472 -1.267 2.672 1.00 1.23 H new ATOM 0 HD23 LEU A 50 -9.848 -1.896 1.736 1.00 1.23 H new ATOM 730 N ARG A 51 -11.836 1.267 5.603 1.00 51.13 N ATOM 731 CA ARG A 51 -12.580 2.173 6.488 1.00 15.33 C ATOM 732 C ARG A 51 -11.881 2.394 7.827 1.00 23.41 C ATOM 733 O ARG A 51 -12.042 3.447 8.445 1.00 2.21 O ATOM 734 CB ARG A 51 -14.017 1.676 6.718 1.00 74.24 C ATOM 735 CG ARG A 51 -14.914 1.724 5.482 1.00 71.15 C ATOM 736 CD ARG A 51 -15.159 3.157 5.027 1.00 30.45 C ATOM 737 NE ARG A 51 -15.891 3.926 6.039 1.00 43.34 N ATOM 738 CZ ARG A 51 -15.461 5.047 6.635 1.00 62.32 C ATOM 739 NH1 ARG A 51 -14.240 5.533 6.376 1.00 2.40 N ATOM 740 NH2 ARG A 51 -16.255 5.679 7.497 1.00 74.32 N ATOM 0 H ARG A 51 -12.319 0.389 5.414 1.00 51.13 H new ATOM 0 HA ARG A 51 -12.616 3.134 5.975 1.00 15.33 H new ATOM 0 HB2 ARG A 51 -13.978 0.649 7.082 1.00 74.24 H new ATOM 0 HB3 ARG A 51 -14.473 2.277 7.505 1.00 74.24 H new ATOM 0 HG2 ARG A 51 -14.452 1.158 4.673 1.00 71.15 H new ATOM 0 HG3 ARG A 51 -15.867 1.243 5.703 1.00 71.15 H new ATOM 0 HD2 ARG A 51 -14.205 3.642 4.820 1.00 30.45 H new ATOM 0 HD3 ARG A 51 -15.723 3.152 4.094 1.00 30.45 H new ATOM 0 HE ARG A 51 -16.809 3.577 6.314 1.00 43.34 H new ATOM 0 HH11 ARG A 51 -13.627 5.049 5.720 1.00 2.40 H new ATOM 0 HH12 ARG A 51 -13.923 6.387 6.835 1.00 2.40 H new ATOM 0 HH21 ARG A 51 -17.184 5.310 7.700 1.00 74.32 H new ATOM 0 HH22 ARG A 51 -15.934 6.533 7.954 1.00 74.32 H new ATOM 754 N GLU A 52 -11.126 1.418 8.275 1.00 22.33 N ATOM 755 CA GLU A 52 -10.473 1.512 9.570 1.00 50.14 C ATOM 756 C GLU A 52 -8.996 1.844 9.456 1.00 14.54 C ATOM 757 O GLU A 52 -8.308 1.996 10.472 1.00 25.44 O ATOM 758 CB GLU A 52 -10.688 0.229 10.360 1.00 41.13 C ATOM 759 CG GLU A 52 -12.144 -0.004 10.711 1.00 15.34 C ATOM 760 CD GLU A 52 -12.393 -1.279 11.472 1.00 55.45 C ATOM 761 OE1 GLU A 52 -11.540 -1.688 12.287 1.00 62.50 O ATOM 762 OE2 GLU A 52 -13.481 -1.868 11.316 1.00 62.44 O ATOM 0 H GLU A 52 -10.946 0.551 7.768 1.00 22.33 H new ATOM 0 HA GLU A 52 -10.933 2.341 10.108 1.00 50.14 H new ATOM 0 HB2 GLU A 52 -10.318 -0.617 9.780 1.00 41.13 H new ATOM 0 HB3 GLU A 52 -10.099 0.268 11.276 1.00 41.13 H new ATOM 0 HG2 GLU A 52 -12.503 0.837 11.304 1.00 15.34 H new ATOM 0 HG3 GLU A 52 -12.731 -0.020 9.792 1.00 15.34 H new ATOM 769 N GLY A 53 -8.512 1.968 8.228 1.00 74.25 N ATOM 770 CA GLY A 53 -7.103 2.230 8.004 1.00 31.42 C ATOM 771 C GLY A 53 -6.271 1.033 8.390 1.00 32.24 C ATOM 772 O GLY A 53 -5.182 1.158 8.944 1.00 61.11 O ATOM 0 H GLY A 53 -9.072 1.892 7.379 1.00 74.25 H new ATOM 0 HA2 GLY A 53 -6.935 2.473 6.955 1.00 31.42 H new ATOM 0 HA3 GLY A 53 -6.792 3.098 8.585 1.00 31.42 H new ATOM 776 N HIS A 54 -6.813 -0.132 8.123 1.00 21.54 N ATOM 777 CA HIS A 54 -6.162 -1.378 8.451 1.00 72.13 C ATOM 778 C HIS A 54 -5.422 -1.896 7.232 1.00 62.10 C ATOM 779 O HIS A 54 -4.516 -2.708 7.339 1.00 4.34 O ATOM 780 CB HIS A 54 -7.213 -2.402 8.912 1.00 64.42 C ATOM 781 CG HIS A 54 -6.647 -3.683 9.466 1.00 24.32 C ATOM 782 ND1 HIS A 54 -6.652 -4.892 8.798 1.00 33.44 N ATOM 783 CD2 HIS A 54 -6.078 -3.928 10.664 1.00 2.42 C ATOM 784 CE1 HIS A 54 -6.102 -5.808 9.594 1.00 31.55 C ATOM 785 NE2 HIS A 54 -5.734 -5.273 10.745 1.00 33.22 N ATOM 0 H HIS A 54 -7.721 -0.242 7.671 1.00 21.54 H new ATOM 0 HA HIS A 54 -5.448 -1.219 9.259 1.00 72.13 H new ATOM 0 HB2 HIS A 54 -7.841 -1.939 9.674 1.00 64.42 H new ATOM 0 HB3 HIS A 54 -7.860 -2.642 8.068 1.00 64.42 H new ATOM 0 HD2 HIS A 54 -5.915 -3.194 11.439 1.00 2.42 H new ATOM 0 HE1 HIS A 54 -5.974 -6.848 9.334 1.00 31.55 H new ATOM 0 HE2 HIS A 54 -5.290 -5.748 11.530 1.00 33.22 H new ATOM 793 N LEU A 55 -5.817 -1.414 6.080 1.00 4.33 N ATOM 794 CA LEU A 55 -5.250 -1.839 4.829 1.00 4.13 C ATOM 795 C LEU A 55 -5.557 -0.763 3.808 1.00 25.00 C ATOM 796 O LEU A 55 -6.533 -0.028 3.978 1.00 4.15 O ATOM 797 CB LEU A 55 -5.884 -3.186 4.421 1.00 23.42 C ATOM 798 CG LEU A 55 -5.338 -3.885 3.172 1.00 14.02 C ATOM 799 CD1 LEU A 55 -3.850 -4.171 3.315 1.00 0.33 C ATOM 800 CD2 LEU A 55 -6.099 -5.177 2.937 1.00 11.13 C ATOM 0 H LEU A 55 -6.548 -0.709 5.986 1.00 4.33 H new ATOM 0 HA LEU A 55 -4.172 -1.982 4.902 1.00 4.13 H new ATOM 0 HB2 LEU A 55 -5.780 -3.873 5.261 1.00 23.42 H new ATOM 0 HB3 LEU A 55 -6.951 -3.022 4.273 1.00 23.42 H new ATOM 0 HG LEU A 55 -5.474 -3.224 2.316 1.00 14.02 H new ATOM 0 HD11 LEU A 55 -3.487 -4.667 2.415 1.00 0.33 H new ATOM 0 HD12 LEU A 55 -3.311 -3.234 3.455 1.00 0.33 H new ATOM 0 HD13 LEU A 55 -3.685 -4.817 4.177 1.00 0.33 H new ATOM 0 HD21 LEU A 55 -5.709 -5.673 2.048 1.00 11.13 H new ATOM 0 HD22 LEU A 55 -5.979 -5.832 3.800 1.00 11.13 H new ATOM 0 HD23 LEU A 55 -7.157 -4.955 2.794 1.00 11.13 H new ATOM 812 N VAL A 56 -4.733 -0.645 2.787 1.00 63.33 N ATOM 813 CA VAL A 56 -4.930 0.347 1.745 1.00 11.20 C ATOM 814 C VAL A 56 -4.865 -0.294 0.386 1.00 34.12 C ATOM 815 O VAL A 56 -4.330 -1.400 0.236 1.00 64.11 O ATOM 816 CB VAL A 56 -3.928 1.537 1.809 1.00 31.22 C ATOM 817 CG1 VAL A 56 -4.221 2.429 3.000 1.00 51.34 C ATOM 818 CG2 VAL A 56 -2.485 1.044 1.857 1.00 54.03 C ATOM 0 H VAL A 56 -3.909 -1.232 2.654 1.00 63.33 H new ATOM 0 HA VAL A 56 -5.922 0.763 1.920 1.00 11.20 H new ATOM 0 HB VAL A 56 -4.056 2.123 0.899 1.00 31.22 H new ATOM 0 HG11 VAL A 56 -3.507 3.253 3.022 1.00 51.34 H new ATOM 0 HG12 VAL A 56 -5.232 2.827 2.916 1.00 51.34 H new ATOM 0 HG13 VAL A 56 -4.134 1.849 3.919 1.00 51.34 H new ATOM 0 HG21 VAL A 56 -1.810 1.899 1.901 1.00 54.03 H new ATOM 0 HG22 VAL A 56 -2.342 0.423 2.741 1.00 54.03 H new ATOM 0 HG23 VAL A 56 -2.271 0.458 0.963 1.00 54.03 H new ATOM 828 N ALA A 57 -5.386 0.400 -0.589 1.00 44.43 N ATOM 829 CA ALA A 57 -5.452 -0.082 -1.930 1.00 52.30 C ATOM 830 C ALA A 57 -4.997 1.008 -2.869 1.00 23.24 C ATOM 831 O ALA A 57 -4.992 2.178 -2.501 1.00 21.23 O ATOM 832 CB ALA A 57 -6.877 -0.499 -2.257 1.00 12.42 C ATOM 0 H ALA A 57 -5.782 1.332 -0.465 1.00 44.43 H new ATOM 0 HA ALA A 57 -4.802 -0.949 -2.043 1.00 52.30 H new ATOM 0 HB1 ALA A 57 -6.922 -0.866 -3.282 1.00 12.42 H new ATOM 0 HB2 ALA A 57 -7.191 -1.289 -1.574 1.00 12.42 H new ATOM 0 HB3 ALA A 57 -7.541 0.359 -2.149 1.00 12.42 H new ATOM 838 N VAL A 58 -4.611 0.617 -4.052 1.00 43.03 N ATOM 839 CA VAL A 58 -4.154 1.516 -5.093 1.00 74.13 C ATOM 840 C VAL A 58 -4.870 1.206 -6.385 1.00 45.53 C ATOM 841 O VAL A 58 -5.538 0.184 -6.492 1.00 44.33 O ATOM 842 CB VAL A 58 -2.622 1.479 -5.309 1.00 4.32 C ATOM 843 CG1 VAL A 58 -1.915 2.185 -4.173 1.00 30.40 C ATOM 844 CG2 VAL A 58 -2.125 0.042 -5.428 1.00 50.34 C ATOM 0 H VAL A 58 -4.603 -0.363 -4.334 1.00 43.03 H new ATOM 0 HA VAL A 58 -4.392 2.527 -4.763 1.00 74.13 H new ATOM 0 HB VAL A 58 -2.396 1.997 -6.241 1.00 4.32 H new ATOM 0 HG11 VAL A 58 -0.838 2.151 -4.338 1.00 30.40 H new ATOM 0 HG12 VAL A 58 -2.243 3.224 -4.130 1.00 30.40 H new ATOM 0 HG13 VAL A 58 -2.154 1.689 -3.232 1.00 30.40 H new ATOM 0 HG21 VAL A 58 -1.046 0.042 -5.579 1.00 50.34 H new ATOM 0 HG22 VAL A 58 -2.363 -0.502 -4.514 1.00 50.34 H new ATOM 0 HG23 VAL A 58 -2.610 -0.442 -6.276 1.00 50.34 H new ATOM 854 N ARG A 59 -4.770 2.079 -7.342 1.00 34.20 N ATOM 855 CA ARG A 59 -5.482 1.908 -8.584 1.00 4.20 C ATOM 856 C ARG A 59 -4.523 1.684 -9.758 1.00 43.54 C ATOM 857 O ARG A 59 -3.731 2.574 -10.104 1.00 72.34 O ATOM 858 CB ARG A 59 -6.369 3.129 -8.830 1.00 34.11 C ATOM 859 CG ARG A 59 -7.184 3.083 -10.111 1.00 62.15 C ATOM 860 CD ARG A 59 -7.976 4.365 -10.292 1.00 51.34 C ATOM 861 NE ARG A 59 -7.101 5.550 -10.307 1.00 12.33 N ATOM 862 CZ ARG A 59 -7.502 6.807 -10.523 1.00 12.10 C ATOM 863 NH1 ARG A 59 -8.754 7.066 -10.875 1.00 24.35 N ATOM 864 NH2 ARG A 59 -6.633 7.799 -10.424 1.00 34.23 N ATOM 0 H ARG A 59 -4.200 2.923 -7.291 1.00 34.20 H new ATOM 0 HA ARG A 59 -6.106 1.017 -8.508 1.00 4.20 H new ATOM 0 HB2 ARG A 59 -7.051 3.240 -7.987 1.00 34.11 H new ATOM 0 HB3 ARG A 59 -5.739 4.019 -8.849 1.00 34.11 H new ATOM 0 HG2 ARG A 59 -6.521 2.936 -10.964 1.00 62.15 H new ATOM 0 HG3 ARG A 59 -7.863 2.231 -10.085 1.00 62.15 H new ATOM 0 HD2 ARG A 59 -8.538 4.316 -11.224 1.00 51.34 H new ATOM 0 HD3 ARG A 59 -8.703 4.460 -9.486 1.00 51.34 H new ATOM 0 HE ARG A 59 -6.106 5.399 -10.139 1.00 12.33 H new ATOM 0 HH11 ARG A 59 -9.422 6.303 -10.983 1.00 24.35 H new ATOM 0 HH12 ARG A 59 -9.049 8.029 -11.037 1.00 24.35 H new ATOM 0 HH21 ARG A 59 -5.661 7.604 -10.184 1.00 34.23 H new ATOM 0 HH22 ARG A 59 -6.935 8.759 -10.588 1.00 34.23 H new ATOM 878 N ARG A 60 -4.603 0.502 -10.360 1.00 30.44 N ATOM 879 CA ARG A 60 -3.800 0.154 -11.536 1.00 45.10 C ATOM 880 C ARG A 60 -4.752 -0.185 -12.668 1.00 21.00 C ATOM 881 O ARG A 60 -5.768 -0.836 -12.432 1.00 73.42 O ATOM 882 CB ARG A 60 -2.887 -1.091 -11.298 1.00 62.21 C ATOM 883 CG ARG A 60 -3.662 -2.401 -11.150 1.00 14.42 C ATOM 884 CD ARG A 60 -2.789 -3.643 -11.120 1.00 31.22 C ATOM 885 NE ARG A 60 -3.645 -4.842 -10.976 1.00 55.42 N ATOM 886 CZ ARG A 60 -3.233 -6.105 -10.814 1.00 35.30 C ATOM 887 NH1 ARG A 60 -1.961 -6.439 -11.040 1.00 75.15 N ATOM 888 NH2 ARG A 60 -4.117 -7.046 -10.465 1.00 24.43 N ATOM 0 H ARG A 60 -5.225 -0.244 -10.050 1.00 30.44 H new ATOM 0 HA ARG A 60 -3.158 1.005 -11.763 1.00 45.10 H new ATOM 0 HB2 ARG A 60 -2.189 -1.184 -12.130 1.00 62.21 H new ATOM 0 HB3 ARG A 60 -2.292 -0.928 -10.400 1.00 62.21 H new ATOM 0 HG2 ARG A 60 -4.248 -2.361 -10.232 1.00 14.42 H new ATOM 0 HG3 ARG A 60 -4.368 -2.487 -11.976 1.00 14.42 H new ATOM 0 HD2 ARG A 60 -2.201 -3.710 -12.035 1.00 31.22 H new ATOM 0 HD3 ARG A 60 -2.083 -3.585 -10.292 1.00 31.22 H new ATOM 0 HE ARG A 60 -4.653 -4.690 -11.003 1.00 55.42 H new ATOM 0 HH11 ARG A 60 -1.293 -5.729 -11.339 1.00 75.15 H new ATOM 0 HH12 ARG A 60 -1.657 -7.404 -10.914 1.00 75.15 H new ATOM 0 HH21 ARG A 60 -5.097 -6.799 -10.324 1.00 24.43 H new ATOM 0 HH22 ARG A 60 -3.812 -8.011 -10.339 1.00 24.43 H new ATOM 902 N ALA A 61 -4.466 0.309 -13.859 1.00 61.14 N ATOM 903 CA ALA A 61 -5.204 -0.020 -15.102 1.00 65.11 C ATOM 904 C ALA A 61 -6.741 0.104 -14.968 1.00 15.51 C ATOM 905 O ALA A 61 -7.491 -0.605 -15.653 1.00 33.55 O ATOM 906 CB ALA A 61 -4.814 -1.422 -15.572 1.00 4.35 C ATOM 0 H ALA A 61 -3.701 0.966 -14.011 1.00 61.14 H new ATOM 0 HA ALA A 61 -4.914 0.721 -15.847 1.00 65.11 H new ATOM 0 HB1 ALA A 61 -5.357 -1.664 -16.486 1.00 4.35 H new ATOM 0 HB2 ALA A 61 -3.742 -1.455 -15.767 1.00 4.35 H new ATOM 0 HB3 ALA A 61 -5.065 -2.148 -14.799 1.00 4.35 H new ATOM 912 N GLY A 62 -7.192 1.005 -14.113 1.00 73.14 N ATOM 913 CA GLY A 62 -8.616 1.203 -13.907 1.00 3.54 C ATOM 914 C GLY A 62 -9.224 0.196 -12.936 1.00 33.22 C ATOM 915 O GLY A 62 -10.421 -0.076 -12.982 1.00 3.40 O ATOM 0 H GLY A 62 -6.594 1.610 -13.551 1.00 73.14 H new ATOM 0 HA2 GLY A 62 -8.786 2.211 -13.530 1.00 3.54 H new ATOM 0 HA3 GLY A 62 -9.130 1.131 -14.866 1.00 3.54 H new ATOM 919 N GLY A 63 -8.405 -0.373 -12.088 1.00 15.21 N ATOM 920 CA GLY A 63 -8.875 -1.308 -11.092 1.00 34.23 C ATOM 921 C GLY A 63 -8.302 -1.000 -9.745 1.00 51.51 C ATOM 922 O GLY A 63 -7.209 -0.436 -9.655 1.00 22.23 O ATOM 0 H GLY A 63 -7.399 -0.204 -12.066 1.00 15.21 H new ATOM 0 HA2 GLY A 63 -9.963 -1.274 -11.043 1.00 34.23 H new ATOM 0 HA3 GLY A 63 -8.600 -2.322 -11.383 1.00 34.23 H new ATOM 926 N VAL A 64 -9.019 -1.352 -8.704 1.00 72.51 N ATOM 927 CA VAL A 64 -8.565 -1.112 -7.354 1.00 62.11 C ATOM 928 C VAL A 64 -7.940 -2.395 -6.853 1.00 13.15 C ATOM 929 O VAL A 64 -8.588 -3.442 -6.807 1.00 52.31 O ATOM 930 CB VAL A 64 -9.738 -0.687 -6.426 1.00 42.33 C ATOM 931 CG1 VAL A 64 -9.240 -0.374 -5.024 1.00 61.42 C ATOM 932 CG2 VAL A 64 -10.475 0.515 -7.004 1.00 4.22 C ATOM 0 H VAL A 64 -9.928 -1.810 -8.767 1.00 72.51 H new ATOM 0 HA VAL A 64 -7.843 -0.296 -7.347 1.00 62.11 H new ATOM 0 HB VAL A 64 -10.433 -1.525 -6.363 1.00 42.33 H new ATOM 0 HG11 VAL A 64 -10.081 -0.080 -4.396 1.00 61.42 H new ATOM 0 HG12 VAL A 64 -8.764 -1.259 -4.601 1.00 61.42 H new ATOM 0 HG13 VAL A 64 -8.517 0.441 -5.068 1.00 61.42 H new ATOM 0 HG21 VAL A 64 -11.292 0.795 -6.339 1.00 4.22 H new ATOM 0 HG22 VAL A 64 -9.784 1.352 -7.103 1.00 4.22 H new ATOM 0 HG23 VAL A 64 -10.877 0.258 -7.984 1.00 4.22 H new ATOM 942 N VAL A 65 -6.695 -2.317 -6.503 1.00 12.14 N ATOM 943 CA VAL A 65 -5.908 -3.471 -6.168 1.00 34.55 C ATOM 944 C VAL A 65 -5.106 -3.242 -4.928 1.00 24.32 C ATOM 945 O VAL A 65 -4.928 -2.108 -4.479 1.00 51.42 O ATOM 946 CB VAL A 65 -4.944 -3.818 -7.322 1.00 63.55 C ATOM 947 CG1 VAL A 65 -5.726 -4.269 -8.531 1.00 31.23 C ATOM 948 CG2 VAL A 65 -4.090 -2.614 -7.686 1.00 43.22 C ATOM 0 H VAL A 65 -6.184 -1.436 -6.440 1.00 12.14 H new ATOM 0 HA VAL A 65 -6.600 -4.296 -5.997 1.00 34.55 H new ATOM 0 HB VAL A 65 -4.290 -4.626 -6.993 1.00 63.55 H new ATOM 0 HG11 VAL A 65 -5.037 -4.512 -9.340 1.00 31.23 H new ATOM 0 HG12 VAL A 65 -6.312 -5.152 -8.276 1.00 31.23 H new ATOM 0 HG13 VAL A 65 -6.394 -3.470 -8.851 1.00 31.23 H new ATOM 0 HG21 VAL A 65 -3.417 -2.879 -8.501 1.00 43.22 H new ATOM 0 HG22 VAL A 65 -4.734 -1.792 -7.999 1.00 43.22 H new ATOM 0 HG23 VAL A 65 -3.506 -2.307 -6.819 1.00 43.22 H new ATOM 958 N ILE A 66 -4.627 -4.312 -4.387 1.00 32.10 N ATOM 959 CA ILE A 66 -3.814 -4.302 -3.213 1.00 61.12 C ATOM 960 C ILE A 66 -2.617 -5.196 -3.507 1.00 33.04 C ATOM 961 O ILE A 66 -2.790 -6.276 -4.052 1.00 63.32 O ATOM 962 CB ILE A 66 -4.601 -4.847 -1.969 1.00 20.30 C ATOM 963 CG1 ILE A 66 -5.853 -3.982 -1.713 1.00 13.44 C ATOM 964 CG2 ILE A 66 -3.704 -4.884 -0.732 1.00 55.12 C ATOM 965 CD1 ILE A 66 -6.705 -4.411 -0.539 1.00 44.20 C ATOM 0 H ILE A 66 -4.794 -5.247 -4.759 1.00 32.10 H new ATOM 0 HA ILE A 66 -3.506 -3.284 -2.972 1.00 61.12 H new ATOM 0 HB ILE A 66 -4.921 -5.867 -2.180 1.00 20.30 H new ATOM 0 HG12 ILE A 66 -5.536 -2.951 -1.554 1.00 13.44 H new ATOM 0 HG13 ILE A 66 -6.470 -3.990 -2.611 1.00 13.44 H new ATOM 0 HG21 ILE A 66 -4.271 -5.265 0.117 1.00 55.12 H new ATOM 0 HG22 ILE A 66 -2.851 -5.536 -0.921 1.00 55.12 H new ATOM 0 HG23 ILE A 66 -3.349 -3.878 -0.509 1.00 55.12 H new ATOM 0 HD11 ILE A 66 -7.559 -3.740 -0.444 1.00 44.20 H new ATOM 0 HD12 ILE A 66 -7.060 -5.429 -0.700 1.00 44.20 H new ATOM 0 HD13 ILE A 66 -6.111 -4.374 0.374 1.00 44.20 H new ATOM 977 N PRO A 67 -1.393 -4.750 -3.238 1.00 3.23 N ATOM 978 CA PRO A 67 -0.211 -5.572 -3.472 1.00 20.43 C ATOM 979 C PRO A 67 -0.256 -6.863 -2.636 1.00 15.13 C ATOM 980 O PRO A 67 -0.593 -6.828 -1.464 1.00 10.54 O ATOM 981 CB PRO A 67 0.955 -4.691 -3.001 1.00 13.15 C ATOM 982 CG PRO A 67 0.418 -3.302 -2.918 1.00 24.14 C ATOM 983 CD PRO A 67 -1.059 -3.420 -2.697 1.00 25.12 C ATOM 0 HA PRO A 67 -0.128 -5.880 -4.514 1.00 20.43 H new ATOM 0 HB2 PRO A 67 1.327 -5.023 -2.032 1.00 13.15 H new ATOM 0 HB3 PRO A 67 1.790 -4.745 -3.699 1.00 13.15 H new ATOM 0 HG2 PRO A 67 0.888 -2.754 -2.101 1.00 24.14 H new ATOM 0 HG3 PRO A 67 0.629 -2.751 -3.835 1.00 24.14 H new ATOM 0 HD2 PRO A 67 -1.312 -3.344 -1.640 1.00 25.12 H new ATOM 0 HD3 PRO A 67 -1.605 -2.630 -3.213 1.00 25.12 H new ATOM 991 N GLN A 68 0.078 -7.999 -3.237 1.00 74.21 N ATOM 992 CA GLN A 68 0.117 -9.259 -2.507 1.00 23.41 C ATOM 993 C GLN A 68 1.257 -9.231 -1.524 1.00 42.50 C ATOM 994 O GLN A 68 1.170 -9.749 -0.429 1.00 23.52 O ATOM 995 CB GLN A 68 0.258 -10.397 -3.487 1.00 61.53 C ATOM 996 CG GLN A 68 0.477 -11.766 -2.889 1.00 3.41 C ATOM 997 CD GLN A 68 0.436 -12.841 -3.941 1.00 34.32 C ATOM 998 OE1 GLN A 68 -0.365 -12.634 -4.967 1.00 30.15 O flip ATOM 999 NE2 GLN A 68 1.099 -13.858 -3.829 1.00 33.01 N flip ATOM 0 H GLN A 68 0.325 -8.073 -4.224 1.00 74.21 H new ATOM 0 HA GLN A 68 -0.808 -9.404 -1.948 1.00 23.41 H new ATOM 0 HB2 GLN A 68 -0.640 -10.432 -4.104 1.00 61.53 H new ATOM 0 HB3 GLN A 68 1.093 -10.176 -4.152 1.00 61.53 H new ATOM 0 HG2 GLN A 68 1.440 -11.791 -2.379 1.00 3.41 H new ATOM 0 HG3 GLN A 68 -0.287 -11.962 -2.137 1.00 3.41 H new ATOM 0 HE21 GLN A 68 1.708 -13.983 -3.021 1.00 33.01 H new ATOM 0 HE22 GLN A 68 1.044 -14.584 -4.544 1.00 33.01 H new ATOM 1008 N VAL A 69 2.281 -8.516 -1.911 1.00 5.20 N ATOM 1009 CA VAL A 69 3.469 -8.306 -1.105 1.00 74.43 C ATOM 1010 C VAL A 69 3.176 -7.430 0.137 1.00 43.00 C ATOM 1011 O VAL A 69 4.044 -7.208 0.956 1.00 22.40 O ATOM 1012 CB VAL A 69 4.586 -7.658 -1.959 1.00 33.40 C ATOM 1013 CG1 VAL A 69 5.056 -8.623 -3.023 1.00 24.33 C ATOM 1014 CG2 VAL A 69 4.072 -6.400 -2.631 1.00 15.44 C ATOM 0 H VAL A 69 2.319 -8.049 -2.817 1.00 5.20 H new ATOM 0 HA VAL A 69 3.802 -9.282 -0.751 1.00 74.43 H new ATOM 0 HB VAL A 69 5.416 -7.406 -1.299 1.00 33.40 H new ATOM 0 HG11 VAL A 69 5.841 -8.156 -3.617 1.00 24.33 H new ATOM 0 HG12 VAL A 69 5.446 -9.524 -2.550 1.00 24.33 H new ATOM 0 HG13 VAL A 69 4.220 -8.886 -3.671 1.00 24.33 H new ATOM 0 HG21 VAL A 69 4.868 -5.955 -3.228 1.00 15.44 H new ATOM 0 HG22 VAL A 69 3.231 -6.650 -3.277 1.00 15.44 H new ATOM 0 HG23 VAL A 69 3.747 -5.689 -1.872 1.00 15.44 H new ATOM 1024 N PHE A 70 1.937 -6.945 0.245 1.00 50.20 N ATOM 1025 CA PHE A 70 1.495 -6.148 1.381 1.00 52.20 C ATOM 1026 C PHE A 70 1.024 -7.078 2.485 1.00 54.24 C ATOM 1027 O PHE A 70 0.785 -6.671 3.621 1.00 21.22 O ATOM 1028 CB PHE A 70 0.347 -5.230 0.957 1.00 63.05 C ATOM 1029 CG PHE A 70 0.616 -3.780 1.166 1.00 35.43 C ATOM 1030 CD1 PHE A 70 1.726 -3.192 0.603 1.00 41.13 C ATOM 1031 CD2 PHE A 70 -0.236 -3.004 1.928 1.00 15.11 C ATOM 1032 CE1 PHE A 70 1.987 -1.860 0.793 1.00 24.15 C ATOM 1033 CE2 PHE A 70 0.017 -1.666 2.126 1.00 50.40 C ATOM 1034 CZ PHE A 70 1.130 -1.090 1.558 1.00 44.14 C ATOM 0 H PHE A 70 1.213 -7.097 -0.458 1.00 50.20 H new ATOM 0 HA PHE A 70 2.322 -5.537 1.742 1.00 52.20 H new ATOM 0 HB2 PHE A 70 0.132 -5.400 -0.098 1.00 63.05 H new ATOM 0 HB3 PHE A 70 -0.549 -5.506 1.514 1.00 63.05 H new ATOM 0 HD1 PHE A 70 2.399 -3.787 0.004 1.00 41.13 H new ATOM 0 HD2 PHE A 70 -1.111 -3.453 2.374 1.00 15.11 H new ATOM 0 HE1 PHE A 70 2.862 -1.412 0.345 1.00 24.15 H new ATOM 0 HE2 PHE A 70 -0.656 -1.070 2.725 1.00 50.40 H new ATOM 0 HZ PHE A 70 1.334 -0.040 1.709 1.00 44.14 H new ATOM 1044 N PHE A 71 0.893 -8.326 2.133 1.00 4.41 N ATOM 1045 CA PHE A 71 0.482 -9.340 3.041 1.00 32.53 C ATOM 1046 C PHE A 71 1.681 -10.183 3.378 1.00 55.50 C ATOM 1047 O PHE A 71 2.668 -10.174 2.652 1.00 0.31 O ATOM 1048 CB PHE A 71 -0.608 -10.223 2.425 1.00 13.30 C ATOM 1049 CG PHE A 71 -1.927 -9.540 2.189 1.00 10.22 C ATOM 1050 CD1 PHE A 71 -2.137 -8.769 1.059 1.00 21.43 C ATOM 1051 CD2 PHE A 71 -2.963 -9.689 3.094 1.00 24.15 C ATOM 1052 CE1 PHE A 71 -3.356 -8.158 0.838 1.00 10.41 C ATOM 1053 CE2 PHE A 71 -4.183 -9.081 2.880 1.00 0.20 C ATOM 1054 CZ PHE A 71 -4.379 -8.315 1.749 1.00 32.13 C ATOM 0 H PHE A 71 1.074 -8.665 1.188 1.00 4.41 H new ATOM 0 HA PHE A 71 0.071 -8.875 3.937 1.00 32.53 H new ATOM 0 HB2 PHE A 71 -0.244 -10.613 1.475 1.00 13.30 H new ATOM 0 HB3 PHE A 71 -0.772 -11.079 3.079 1.00 13.30 H new ATOM 0 HD1 PHE A 71 -1.339 -8.644 0.342 1.00 21.43 H new ATOM 0 HD2 PHE A 71 -2.815 -10.289 3.980 1.00 24.15 H new ATOM 0 HE1 PHE A 71 -3.508 -7.558 -0.047 1.00 10.41 H new ATOM 0 HE2 PHE A 71 -4.982 -9.204 3.596 1.00 0.20 H new ATOM 0 HZ PHE A 71 -5.333 -7.839 1.578 1.00 32.13 H new ATOM 1064 N THR A 72 1.597 -10.907 4.451 1.00 55.52 N ATOM 1065 CA THR A 72 2.679 -11.765 4.867 1.00 55.04 C ATOM 1066 C THR A 72 2.702 -13.004 3.985 1.00 25.40 C ATOM 1067 O THR A 72 1.681 -13.344 3.368 1.00 71.23 O ATOM 1068 CB THR A 72 2.491 -12.197 6.335 1.00 64.20 C ATOM 1069 OG1 THR A 72 1.221 -12.857 6.480 1.00 1.21 O ATOM 1070 CG2 THR A 72 2.523 -10.994 7.254 1.00 1.22 C ATOM 0 H THR A 72 0.783 -10.925 5.065 1.00 55.52 H new ATOM 0 HA THR A 72 3.617 -11.218 4.775 1.00 55.04 H new ATOM 0 HB THR A 72 3.303 -12.873 6.603 1.00 64.20 H new ATOM 0 HG1 THR A 72 0.498 -12.205 6.365 1.00 1.21 H new ATOM 0 HG21 THR A 72 2.389 -11.320 8.285 1.00 1.22 H new ATOM 0 HG22 THR A 72 3.483 -10.487 7.156 1.00 1.22 H new ATOM 0 HG23 THR A 72 1.721 -10.308 6.983 1.00 1.22 H new ATOM 1078 N ASN A 73 3.830 -13.702 3.959 1.00 2.54 N ATOM 1079 CA ASN A 73 3.974 -14.937 3.165 1.00 53.13 C ATOM 1080 C ASN A 73 2.966 -16.019 3.581 1.00 24.43 C ATOM 1081 O ASN A 73 2.710 -16.967 2.841 1.00 62.00 O ATOM 1082 CB ASN A 73 5.418 -15.501 3.222 1.00 72.34 C ATOM 1083 CG ASN A 73 5.933 -15.837 4.632 1.00 12.14 C ATOM 1084 OD1 ASN A 73 5.170 -16.183 5.549 1.00 64.44 O ATOM 1085 ND2 ASN A 73 7.222 -15.738 4.808 1.00 53.12 N ATOM 0 H ASN A 73 4.668 -13.440 4.478 1.00 2.54 H new ATOM 0 HA ASN A 73 3.758 -14.656 2.134 1.00 53.13 H new ATOM 0 HB2 ASN A 73 5.463 -16.403 2.611 1.00 72.34 H new ATOM 0 HB3 ASN A 73 6.093 -14.775 2.769 1.00 72.34 H new ATOM 0 HD21 ASN A 73 7.630 -15.947 5.719 1.00 53.12 H new ATOM 0 HD22 ASN A 73 7.822 -15.451 4.034 1.00 53.12 H new ATOM 1092 N SER A 74 2.394 -15.856 4.756 1.00 15.01 N ATOM 1093 CA SER A 74 1.448 -16.791 5.281 1.00 73.15 C ATOM 1094 C SER A 74 -0.011 -16.373 4.968 1.00 43.13 C ATOM 1095 O SER A 74 -0.953 -17.082 5.316 1.00 21.41 O ATOM 1096 CB SER A 74 1.689 -16.952 6.775 1.00 64.51 C ATOM 1097 OG SER A 74 3.047 -17.344 7.009 1.00 11.41 O ATOM 0 H SER A 74 2.580 -15.063 5.370 1.00 15.01 H new ATOM 0 HA SER A 74 1.591 -17.756 4.794 1.00 73.15 H new ATOM 0 HB2 SER A 74 1.478 -16.015 7.290 1.00 64.51 H new ATOM 0 HB3 SER A 74 1.010 -17.700 7.184 1.00 64.51 H new ATOM 0 HG SER A 74 3.642 -16.828 6.425 1.00 11.41 H new ATOM 1103 N GLY A 75 -0.186 -15.234 4.296 1.00 52.31 N ATOM 1104 CA GLY A 75 -1.516 -14.804 3.889 1.00 10.13 C ATOM 1105 C GLY A 75 -2.219 -13.916 4.899 1.00 40.14 C ATOM 1106 O GLY A 75 -3.379 -13.553 4.704 1.00 45.40 O ATOM 0 H GLY A 75 0.569 -14.603 4.027 1.00 52.31 H new ATOM 0 HA2 GLY A 75 -1.439 -14.268 2.943 1.00 10.13 H new ATOM 0 HA3 GLY A 75 -2.131 -15.685 3.707 1.00 10.13 H new ATOM 1110 N GLN A 76 -1.541 -13.568 5.968 1.00 44.43 N ATOM 1111 CA GLN A 76 -2.135 -12.715 6.995 1.00 74.11 C ATOM 1112 C GLN A 76 -1.758 -11.262 6.699 1.00 1.23 C ATOM 1113 O GLN A 76 -0.749 -11.013 6.010 1.00 13.21 O ATOM 1114 CB GLN A 76 -1.601 -13.102 8.392 1.00 72.33 C ATOM 1115 CG GLN A 76 -2.310 -12.382 9.536 1.00 50.41 C ATOM 1116 CD GLN A 76 -1.628 -12.521 10.880 1.00 22.02 C ATOM 1117 OE1 GLN A 76 -0.954 -13.511 11.171 1.00 53.41 O ATOM 1118 NE2 GLN A 76 -1.790 -11.523 11.707 1.00 44.25 N ATOM 0 H GLN A 76 -0.581 -13.856 6.157 1.00 44.43 H new ATOM 0 HA GLN A 76 -3.218 -12.840 6.986 1.00 74.11 H new ATOM 0 HB2 GLN A 76 -1.709 -14.178 8.528 1.00 72.33 H new ATOM 0 HB3 GLN A 76 -0.535 -12.880 8.439 1.00 72.33 H new ATOM 0 HG2 GLN A 76 -2.388 -11.323 9.290 1.00 50.41 H new ATOM 0 HG3 GLN A 76 -3.327 -12.767 9.617 1.00 50.41 H new ATOM 0 HE21 GLN A 76 -2.355 -10.719 11.432 1.00 44.25 H new ATOM 0 HE22 GLN A 76 -1.352 -11.547 12.628 1.00 44.25 H new ATOM 1127 N VAL A 77 -2.540 -10.322 7.194 1.00 22.22 N ATOM 1128 CA VAL A 77 -2.217 -8.919 7.059 1.00 24.40 C ATOM 1129 C VAL A 77 -1.081 -8.614 8.034 1.00 45.22 C ATOM 1130 O VAL A 77 -1.055 -9.160 9.143 1.00 41.34 O ATOM 1131 CB VAL A 77 -3.450 -8.010 7.388 1.00 54.40 C ATOM 1132 CG1 VAL A 77 -3.115 -6.532 7.230 1.00 73.41 C ATOM 1133 CG2 VAL A 77 -4.635 -8.365 6.505 1.00 74.33 C ATOM 0 H VAL A 77 -3.408 -10.509 7.696 1.00 22.22 H new ATOM 0 HA VAL A 77 -1.925 -8.711 6.030 1.00 24.40 H new ATOM 0 HB VAL A 77 -3.714 -8.192 8.430 1.00 54.40 H new ATOM 0 HG11 VAL A 77 -3.994 -5.932 7.466 1.00 73.41 H new ATOM 0 HG12 VAL A 77 -2.303 -6.269 7.908 1.00 73.41 H new ATOM 0 HG13 VAL A 77 -2.808 -6.336 6.203 1.00 73.41 H new ATOM 0 HG21 VAL A 77 -5.479 -7.721 6.752 1.00 74.33 H new ATOM 0 HG22 VAL A 77 -4.364 -8.223 5.459 1.00 74.33 H new ATOM 0 HG23 VAL A 77 -4.913 -9.406 6.670 1.00 74.33 H new ATOM 1143 N VAL A 78 -0.123 -7.820 7.598 1.00 52.21 N ATOM 1144 CA VAL A 78 0.990 -7.427 8.442 1.00 43.20 C ATOM 1145 C VAL A 78 0.457 -6.628 9.637 1.00 44.12 C ATOM 1146 O VAL A 78 -0.341 -5.710 9.473 1.00 75.23 O ATOM 1147 CB VAL A 78 2.023 -6.587 7.641 1.00 74.12 C ATOM 1148 CG1 VAL A 78 3.167 -6.094 8.512 1.00 64.34 C ATOM 1149 CG2 VAL A 78 2.559 -7.384 6.470 1.00 53.54 C ATOM 0 H VAL A 78 -0.093 -7.431 6.656 1.00 52.21 H new ATOM 0 HA VAL A 78 1.499 -8.322 8.801 1.00 43.20 H new ATOM 0 HB VAL A 78 1.500 -5.707 7.267 1.00 74.12 H new ATOM 0 HG11 VAL A 78 3.861 -5.512 7.906 1.00 64.34 H new ATOM 0 HG12 VAL A 78 2.772 -5.468 9.312 1.00 64.34 H new ATOM 0 HG13 VAL A 78 3.689 -6.948 8.944 1.00 64.34 H new ATOM 0 HG21 VAL A 78 3.281 -6.781 5.920 1.00 53.54 H new ATOM 0 HG22 VAL A 78 3.046 -8.288 6.837 1.00 53.54 H new ATOM 0 HG23 VAL A 78 1.736 -7.658 5.809 1.00 53.54 H new ATOM 1159 N LYS A 79 0.895 -6.987 10.818 1.00 52.02 N ATOM 1160 CA LYS A 79 0.414 -6.377 12.043 1.00 1.51 C ATOM 1161 C LYS A 79 0.729 -4.880 12.119 1.00 3.24 C ATOM 1162 O LYS A 79 -0.120 -4.081 12.496 1.00 43.40 O ATOM 1163 CB LYS A 79 0.946 -7.131 13.277 1.00 11.44 C ATOM 1164 CG LYS A 79 0.592 -6.482 14.610 1.00 14.20 C ATOM 1165 CD LYS A 79 -0.908 -6.311 14.783 1.00 44.43 C ATOM 1166 CE LYS A 79 -1.216 -5.550 16.045 1.00 14.55 C ATOM 1167 NZ LYS A 79 -2.658 -5.317 16.215 1.00 15.03 N ATOM 0 H LYS A 79 1.597 -7.712 10.963 1.00 52.02 H new ATOM 0 HA LYS A 79 -0.673 -6.460 12.036 1.00 1.51 H new ATOM 0 HB2 LYS A 79 0.552 -8.147 13.265 1.00 11.44 H new ATOM 0 HB3 LYS A 79 2.031 -7.209 13.201 1.00 11.44 H new ATOM 0 HG2 LYS A 79 0.983 -7.092 15.425 1.00 14.20 H new ATOM 0 HG3 LYS A 79 1.078 -5.509 14.679 1.00 14.20 H new ATOM 0 HD2 LYS A 79 -1.320 -5.782 13.924 1.00 44.43 H new ATOM 0 HD3 LYS A 79 -1.389 -7.289 14.816 1.00 44.43 H new ATOM 0 HE2 LYS A 79 -0.835 -6.104 16.903 1.00 14.55 H new ATOM 0 HE3 LYS A 79 -0.695 -4.593 16.027 1.00 14.55 H new ATOM 0 HZ1 LYS A 79 -2.823 -4.790 17.096 1.00 15.03 H new ATOM 0 HZ2 LYS A 79 -3.018 -4.766 15.410 1.00 15.03 H new ATOM 0 HZ3 LYS A 79 -3.154 -6.230 16.259 1.00 15.03 H new ATOM 1181 N SER A 80 1.914 -4.504 11.738 1.00 12.11 N ATOM 1182 CA SER A 80 2.300 -3.119 11.819 1.00 44.31 C ATOM 1183 C SER A 80 1.912 -2.348 10.534 1.00 2.21 C ATOM 1184 O SER A 80 2.338 -1.197 10.335 1.00 4.10 O ATOM 1185 CB SER A 80 3.805 -2.995 12.134 1.00 62.41 C ATOM 1186 OG SER A 80 4.168 -1.645 12.406 1.00 14.31 O ATOM 0 H SER A 80 2.630 -5.130 11.369 1.00 12.11 H new ATOM 0 HA SER A 80 1.750 -2.658 12.640 1.00 44.31 H new ATOM 0 HB2 SER A 80 4.052 -3.620 12.992 1.00 62.41 H new ATOM 0 HB3 SER A 80 4.387 -3.367 11.291 1.00 62.41 H new ATOM 0 HG SER A 80 3.728 -1.052 11.762 1.00 14.31 H new ATOM 1192 N LEU A 81 1.091 -2.965 9.687 1.00 14.52 N ATOM 1193 CA LEU A 81 0.609 -2.321 8.468 1.00 44.31 C ATOM 1194 C LEU A 81 -0.303 -1.121 8.841 1.00 42.02 C ATOM 1195 O LEU A 81 -0.026 0.002 8.415 1.00 75.30 O ATOM 1196 CB LEU A 81 -0.084 -3.355 7.550 1.00 75.15 C ATOM 1197 CG LEU A 81 -0.348 -2.993 6.079 1.00 3.44 C ATOM 1198 CD1 LEU A 81 -0.659 -4.258 5.315 1.00 60.44 C ATOM 1199 CD2 LEU A 81 -1.519 -2.044 5.938 1.00 23.02 C ATOM 0 H LEU A 81 0.745 -3.915 9.824 1.00 14.52 H new ATOM 0 HA LEU A 81 1.447 -1.921 7.896 1.00 44.31 H new ATOM 0 HB2 LEU A 81 0.521 -4.262 7.561 1.00 75.15 H new ATOM 0 HB3 LEU A 81 -1.043 -3.606 8.003 1.00 75.15 H new ATOM 0 HG LEU A 81 0.542 -2.502 5.685 1.00 3.44 H new ATOM 0 HD11 LEU A 81 -0.848 -4.014 4.270 1.00 60.44 H new ATOM 0 HD12 LEU A 81 0.188 -4.940 5.381 1.00 60.44 H new ATOM 0 HD13 LEU A 81 -1.542 -4.733 5.742 1.00 60.44 H new ATOM 0 HD21 LEU A 81 -1.674 -1.812 4.884 1.00 23.02 H new ATOM 0 HD22 LEU A 81 -2.417 -2.511 6.343 1.00 23.02 H new ATOM 0 HD23 LEU A 81 -1.310 -1.125 6.485 1.00 23.02 H new ATOM 1211 N PRO A 82 -1.393 -1.317 9.675 1.00 33.11 N ATOM 1212 CA PRO A 82 -2.209 -0.194 10.159 1.00 32.25 C ATOM 1213 C PRO A 82 -1.346 0.828 10.903 1.00 75.25 C ATOM 1214 O PRO A 82 -1.596 2.029 10.848 1.00 53.15 O ATOM 1215 CB PRO A 82 -3.213 -0.841 11.137 1.00 0.11 C ATOM 1216 CG PRO A 82 -2.707 -2.225 11.374 1.00 12.03 C ATOM 1217 CD PRO A 82 -1.956 -2.608 10.140 1.00 2.32 C ATOM 0 HA PRO A 82 -2.694 0.339 9.341 1.00 32.25 H new ATOM 0 HB2 PRO A 82 -3.270 -0.279 12.069 1.00 0.11 H new ATOM 0 HB3 PRO A 82 -4.217 -0.858 10.714 1.00 0.11 H new ATOM 0 HG2 PRO A 82 -2.060 -2.259 12.250 1.00 12.03 H new ATOM 0 HG3 PRO A 82 -3.530 -2.915 11.559 1.00 12.03 H new ATOM 0 HD2 PRO A 82 -1.173 -3.336 10.354 1.00 2.32 H new ATOM 0 HD3 PRO A 82 -2.611 -3.055 9.392 1.00 2.32 H new ATOM 1225 N GLY A 83 -0.300 0.327 11.553 1.00 15.44 N ATOM 1226 CA GLY A 83 0.624 1.159 12.296 1.00 53.14 C ATOM 1227 C GLY A 83 1.357 2.137 11.407 1.00 3.13 C ATOM 1228 O GLY A 83 1.476 3.319 11.744 1.00 33.22 O ATOM 0 H GLY A 83 -0.074 -0.667 11.576 1.00 15.44 H new ATOM 0 HA2 GLY A 83 0.079 1.708 13.064 1.00 53.14 H new ATOM 0 HA3 GLY A 83 1.347 0.526 12.810 1.00 53.14 H new ATOM 1232 N LEU A 84 1.839 1.663 10.256 1.00 25.23 N ATOM 1233 CA LEU A 84 2.520 2.542 9.318 1.00 62.12 C ATOM 1234 C LEU A 84 1.508 3.519 8.736 1.00 23.02 C ATOM 1235 O LEU A 84 1.775 4.703 8.605 1.00 5.21 O ATOM 1236 CB LEU A 84 3.304 1.756 8.213 1.00 0.45 C ATOM 1237 CG LEU A 84 2.504 1.093 7.072 1.00 5.32 C ATOM 1238 CD1 LEU A 84 2.282 2.059 5.895 1.00 15.21 C ATOM 1239 CD2 LEU A 84 3.175 -0.187 6.603 1.00 41.11 C ATOM 0 H LEU A 84 1.770 0.690 9.959 1.00 25.23 H new ATOM 0 HA LEU A 84 3.285 3.104 9.854 1.00 62.12 H new ATOM 0 HB2 LEU A 84 4.018 2.444 7.761 1.00 0.45 H new ATOM 0 HB3 LEU A 84 3.883 0.976 8.708 1.00 0.45 H new ATOM 0 HG LEU A 84 1.524 0.835 7.473 1.00 5.32 H new ATOM 0 HD11 LEU A 84 1.715 1.555 5.112 1.00 15.21 H new ATOM 0 HD12 LEU A 84 1.727 2.931 6.240 1.00 15.21 H new ATOM 0 HD13 LEU A 84 3.246 2.376 5.498 1.00 15.21 H new ATOM 0 HD21 LEU A 84 2.589 -0.632 5.799 1.00 41.11 H new ATOM 0 HD22 LEU A 84 4.177 0.040 6.239 1.00 41.11 H new ATOM 0 HD23 LEU A 84 3.241 -0.889 7.434 1.00 41.11 H new ATOM 1251 N LEU A 85 0.320 3.015 8.442 1.00 11.41 N ATOM 1252 CA LEU A 85 -0.742 3.845 7.896 1.00 10.35 C ATOM 1253 C LEU A 85 -1.091 4.963 8.853 1.00 2.41 C ATOM 1254 O LEU A 85 -1.328 6.080 8.435 1.00 30.20 O ATOM 1255 CB LEU A 85 -1.987 3.022 7.573 1.00 72.41 C ATOM 1256 CG LEU A 85 -1.816 1.928 6.524 1.00 11.33 C ATOM 1257 CD1 LEU A 85 -3.117 1.182 6.328 1.00 45.50 C ATOM 1258 CD2 LEU A 85 -1.331 2.514 5.206 1.00 75.24 C ATOM 0 H LEU A 85 0.067 2.036 8.572 1.00 11.41 H new ATOM 0 HA LEU A 85 -0.373 4.278 6.966 1.00 10.35 H new ATOM 0 HB2 LEU A 85 -2.342 2.561 8.495 1.00 72.41 H new ATOM 0 HB3 LEU A 85 -2.769 3.702 7.235 1.00 72.41 H new ATOM 0 HG LEU A 85 -1.062 1.225 6.879 1.00 11.33 H new ATOM 0 HD11 LEU A 85 -2.981 0.404 5.577 1.00 45.50 H new ATOM 0 HD12 LEU A 85 -3.421 0.727 7.271 1.00 45.50 H new ATOM 0 HD13 LEU A 85 -3.888 1.877 5.995 1.00 45.50 H new ATOM 0 HD21 LEU A 85 -1.216 1.715 4.473 1.00 75.24 H new ATOM 0 HD22 LEU A 85 -2.058 3.240 4.841 1.00 75.24 H new ATOM 0 HD23 LEU A 85 -0.371 3.007 5.358 1.00 75.24 H new ATOM 1270 N THR A 86 -1.050 4.664 10.137 1.00 61.35 N ATOM 1271 CA THR A 86 -1.363 5.647 11.163 1.00 22.10 C ATOM 1272 C THR A 86 -0.392 6.847 11.090 1.00 4.11 C ATOM 1273 O THR A 86 -0.831 8.009 11.024 1.00 72.14 O ATOM 1274 CB THR A 86 -1.328 5.021 12.583 1.00 61.33 C ATOM 1275 OG1 THR A 86 -2.209 3.884 12.627 1.00 33.03 O ATOM 1276 CG2 THR A 86 -1.784 6.035 13.627 1.00 62.24 C ATOM 0 H THR A 86 -0.802 3.743 10.499 1.00 61.35 H new ATOM 0 HA THR A 86 -2.376 6.001 10.973 1.00 22.10 H new ATOM 0 HB THR A 86 -0.305 4.716 12.802 1.00 61.33 H new ATOM 0 HG1 THR A 86 -1.768 3.112 12.214 1.00 33.03 H new ATOM 0 HG21 THR A 86 -1.753 5.578 14.616 1.00 62.24 H new ATOM 0 HG22 THR A 86 -1.122 6.901 13.606 1.00 62.24 H new ATOM 0 HG23 THR A 86 -2.803 6.352 13.406 1.00 62.24 H new ATOM 1284 N ILE A 87 0.912 6.556 11.042 1.00 44.04 N ATOM 1285 CA ILE A 87 1.926 7.597 10.985 1.00 42.14 C ATOM 1286 C ILE A 87 1.857 8.392 9.675 1.00 73.25 C ATOM 1287 O ILE A 87 1.886 9.630 9.700 1.00 13.34 O ATOM 1288 CB ILE A 87 3.392 7.062 11.367 1.00 35.51 C ATOM 1289 CG1 ILE A 87 4.538 8.112 11.187 1.00 40.43 C ATOM 1290 CG2 ILE A 87 3.744 5.751 10.687 1.00 60.11 C ATOM 1291 CD1 ILE A 87 5.065 8.307 9.757 1.00 61.53 C ATOM 0 H ILE A 87 1.283 5.606 11.042 1.00 44.04 H new ATOM 0 HA ILE A 87 1.695 8.318 11.769 1.00 42.14 H new ATOM 0 HB ILE A 87 3.323 6.874 12.438 1.00 35.51 H new ATOM 0 HG12 ILE A 87 4.181 9.074 11.554 1.00 40.43 H new ATOM 0 HG13 ILE A 87 5.374 7.819 11.822 1.00 40.43 H new ATOM 0 HG21 ILE A 87 4.746 5.444 10.986 1.00 60.11 H new ATOM 0 HG22 ILE A 87 3.027 4.985 10.981 1.00 60.11 H new ATOM 0 HG23 ILE A 87 3.712 5.882 9.605 1.00 60.11 H new ATOM 0 HD11 ILE A 87 5.855 9.058 9.760 1.00 61.53 H new ATOM 0 HD12 ILE A 87 5.463 7.363 9.384 1.00 61.53 H new ATOM 0 HD13 ILE A 87 4.252 8.638 9.112 1.00 61.53 H new ATOM 1303 N LEU A 88 1.726 7.707 8.544 1.00 60.35 N ATOM 1304 CA LEU A 88 1.628 8.406 7.262 1.00 32.32 C ATOM 1305 C LEU A 88 0.349 9.206 7.110 1.00 41.02 C ATOM 1306 O LEU A 88 0.373 10.296 6.559 1.00 73.54 O ATOM 1307 CB LEU A 88 1.837 7.517 6.042 1.00 20.34 C ATOM 1308 CG LEU A 88 3.263 7.032 5.733 1.00 22.02 C ATOM 1309 CD1 LEU A 88 4.289 8.157 5.812 1.00 73.23 C ATOM 1310 CD2 LEU A 88 3.656 5.853 6.565 1.00 74.11 C ATOM 0 H LEU A 88 1.686 6.690 8.485 1.00 60.35 H new ATOM 0 HA LEU A 88 2.465 9.104 7.294 1.00 32.32 H new ATOM 0 HB2 LEU A 88 1.204 6.637 6.158 1.00 20.34 H new ATOM 0 HB3 LEU A 88 1.473 8.059 5.169 1.00 20.34 H new ATOM 0 HG LEU A 88 3.252 6.693 4.697 1.00 22.02 H new ATOM 0 HD11 LEU A 88 5.280 7.763 5.586 1.00 73.23 H new ATOM 0 HD12 LEU A 88 4.034 8.933 5.091 1.00 73.23 H new ATOM 0 HD13 LEU A 88 4.288 8.581 6.816 1.00 73.23 H new ATOM 0 HD21 LEU A 88 4.671 5.549 6.309 1.00 74.11 H new ATOM 0 HD22 LEU A 88 3.613 6.122 7.620 1.00 74.11 H new ATOM 0 HD23 LEU A 88 2.971 5.027 6.373 1.00 74.11 H new ATOM 1322 N HIS A 89 -0.758 8.674 7.592 1.00 42.22 N ATOM 1323 CA HIS A 89 -2.038 9.369 7.514 1.00 52.52 C ATOM 1324 C HIS A 89 -1.992 10.622 8.383 1.00 14.04 C ATOM 1325 O HIS A 89 -2.559 11.658 8.032 1.00 4.51 O ATOM 1326 CB HIS A 89 -3.193 8.436 7.934 1.00 53.51 C ATOM 1327 CG HIS A 89 -4.561 9.055 7.884 1.00 13.44 C ATOM 1328 ND1 HIS A 89 -5.283 9.396 9.001 1.00 43.35 N ATOM 1329 CD2 HIS A 89 -5.338 9.377 6.823 1.00 10.20 C ATOM 1330 CE1 HIS A 89 -6.446 9.900 8.608 1.00 4.12 C ATOM 1331 NE2 HIS A 89 -6.536 9.916 7.285 1.00 35.43 N ATOM 0 H HIS A 89 -0.801 7.761 8.044 1.00 42.22 H new ATOM 0 HA HIS A 89 -2.221 9.668 6.482 1.00 52.52 H new ATOM 0 HB2 HIS A 89 -3.184 7.558 7.288 1.00 53.51 H new ATOM 0 HB3 HIS A 89 -3.006 8.086 8.949 1.00 53.51 H new ATOM 0 HD2 HIS A 89 -5.072 9.238 5.786 1.00 10.20 H new ATOM 0 HE1 HIS A 89 -7.218 10.251 9.277 1.00 4.12 H new ATOM 0 HE2 HIS A 89 -7.318 10.252 6.724 1.00 35.43 H new ATOM 1339 N ASP A 90 -1.290 10.528 9.495 1.00 34.33 N ATOM 1340 CA ASP A 90 -1.107 11.661 10.392 1.00 72.42 C ATOM 1341 C ASP A 90 -0.136 12.679 9.777 1.00 12.15 C ATOM 1342 O ASP A 90 -0.280 13.876 9.977 1.00 21.31 O ATOM 1343 CB ASP A 90 -0.617 11.181 11.768 1.00 32.42 C ATOM 1344 CG ASP A 90 -0.380 12.303 12.760 1.00 31.34 C ATOM 1345 OD1 ASP A 90 -1.365 12.914 13.257 1.00 21.44 O ATOM 1346 OD2 ASP A 90 0.783 12.580 13.077 1.00 24.54 O ATOM 0 H ASP A 90 -0.831 9.671 9.804 1.00 34.33 H new ATOM 0 HA ASP A 90 -2.067 12.158 10.533 1.00 72.42 H new ATOM 0 HB2 ASP A 90 -1.351 10.490 12.184 1.00 32.42 H new ATOM 0 HB3 ASP A 90 0.310 10.622 11.638 1.00 32.42 H new ATOM 1351 N GLY A 91 0.811 12.186 8.978 1.00 23.21 N ATOM 1352 CA GLY A 91 1.760 13.056 8.292 1.00 54.14 C ATOM 1353 C GLY A 91 1.189 13.617 6.994 1.00 21.34 C ATOM 1354 O GLY A 91 1.788 14.489 6.352 1.00 54.43 O ATOM 0 H GLY A 91 0.939 11.191 8.792 1.00 23.21 H new ATOM 0 HA2 GLY A 91 2.038 13.879 8.951 1.00 54.14 H new ATOM 0 HA3 GLY A 91 2.671 12.499 8.076 1.00 54.14 H new ATOM 1358 N GLY A 92 0.045 13.099 6.599 1.00 51.43 N ATOM 1359 CA GLY A 92 -0.633 13.567 5.415 1.00 42.44 C ATOM 1360 C GLY A 92 -0.072 12.978 4.132 1.00 11.15 C ATOM 1361 O GLY A 92 0.080 13.686 3.129 1.00 13.01 O ATOM 0 H GLY A 92 -0.437 12.345 7.089 1.00 51.43 H new ATOM 0 HA2 GLY A 92 -1.692 13.319 5.488 1.00 42.44 H new ATOM 0 HA3 GLY A 92 -0.563 14.654 5.369 1.00 42.44 H new ATOM 1365 N TYR A 93 0.263 11.710 4.159 1.00 71.15 N ATOM 1366 CA TYR A 93 0.752 11.015 2.983 1.00 74.32 C ATOM 1367 C TYR A 93 -0.286 10.038 2.466 1.00 22.03 C ATOM 1368 O TYR A 93 -0.795 9.208 3.210 1.00 34.03 O ATOM 1369 CB TYR A 93 2.080 10.298 3.250 1.00 73.44 C ATOM 1370 CG TYR A 93 3.274 11.217 3.388 1.00 15.11 C ATOM 1371 CD1 TYR A 93 3.961 11.650 2.261 1.00 52.41 C ATOM 1372 CD2 TYR A 93 3.728 11.635 4.630 1.00 13.14 C ATOM 1373 CE1 TYR A 93 5.061 12.470 2.362 1.00 15.55 C ATOM 1374 CE2 TYR A 93 4.828 12.463 4.743 1.00 1.42 C ATOM 1375 CZ TYR A 93 5.492 12.878 3.600 1.00 62.33 C ATOM 1376 OH TYR A 93 6.606 13.689 3.700 1.00 5.30 O ATOM 0 H TYR A 93 0.206 11.128 4.994 1.00 71.15 H new ATOM 0 HA TYR A 93 0.937 11.768 2.217 1.00 74.32 H new ATOM 0 HB2 TYR A 93 1.983 9.710 4.162 1.00 73.44 H new ATOM 0 HB3 TYR A 93 2.269 9.597 2.437 1.00 73.44 H new ATOM 0 HD1 TYR A 93 3.624 11.336 1.284 1.00 52.41 H new ATOM 0 HD2 TYR A 93 3.214 11.308 5.522 1.00 13.14 H new ATOM 0 HE1 TYR A 93 5.583 12.791 1.472 1.00 15.55 H new ATOM 0 HE2 TYR A 93 5.168 12.785 5.716 1.00 1.42 H new ATOM 0 HH TYR A 93 7.344 13.183 4.101 1.00 5.30 H new ATOM 1386 N ARG A 94 -0.607 10.164 1.200 1.00 12.34 N ATOM 1387 CA ARG A 94 -1.591 9.309 0.555 1.00 61.21 C ATOM 1388 C ARG A 94 -0.964 8.004 0.051 1.00 73.32 C ATOM 1389 O ARG A 94 0.252 7.853 0.048 1.00 32.44 O ATOM 1390 CB ARG A 94 -2.341 10.011 -0.576 1.00 12.43 C ATOM 1391 CG ARG A 94 -1.523 10.289 -1.826 1.00 50.21 C ATOM 1392 CD ARG A 94 -2.425 10.766 -2.938 1.00 42.44 C ATOM 1393 NE ARG A 94 -3.507 9.805 -3.199 1.00 24.53 N ATOM 1394 CZ ARG A 94 -4.731 10.125 -3.602 1.00 71.50 C ATOM 1395 NH1 ARG A 94 -5.013 11.368 -3.996 1.00 23.31 N ATOM 1396 NH2 ARG A 94 -5.666 9.194 -3.628 1.00 20.50 N ATOM 0 H ARG A 94 -0.195 10.863 0.581 1.00 12.34 H new ATOM 0 HA ARG A 94 -2.323 9.068 1.325 1.00 61.21 H new ATOM 0 HB2 ARG A 94 -3.200 9.401 -0.853 1.00 12.43 H new ATOM 0 HB3 ARG A 94 -2.730 10.957 -0.199 1.00 12.43 H new ATOM 0 HG2 ARG A 94 -0.764 11.042 -1.614 1.00 50.21 H new ATOM 0 HG3 ARG A 94 -0.998 9.385 -2.135 1.00 50.21 H new ATOM 0 HD2 ARG A 94 -2.851 11.734 -2.673 1.00 42.44 H new ATOM 0 HD3 ARG A 94 -1.840 10.913 -3.846 1.00 42.44 H new ATOM 0 HE ARG A 94 -3.301 8.816 -3.060 1.00 24.53 H new ATOM 0 HH11 ARG A 94 -4.285 12.083 -3.989 1.00 23.31 H new ATOM 0 HH12 ARG A 94 -5.956 11.604 -4.304 1.00 23.31 H new ATOM 0 HH21 ARG A 94 -5.445 8.241 -3.340 1.00 20.50 H new ATOM 0 HH22 ARG A 94 -6.610 9.428 -3.936 1.00 20.50 H new ATOM 1410 N ASP A 95 -1.818 7.119 -0.434 1.00 41.30 N ATOM 1411 CA ASP A 95 -1.496 5.746 -0.891 1.00 33.02 C ATOM 1412 C ASP A 95 -0.352 5.741 -1.915 1.00 75.31 C ATOM 1413 O ASP A 95 0.579 4.940 -1.815 1.00 22.35 O ATOM 1414 CB ASP A 95 -2.763 5.154 -1.576 1.00 14.52 C ATOM 1415 CG ASP A 95 -3.145 5.916 -2.864 1.00 32.23 C ATOM 1416 OD1 ASP A 95 -3.304 7.173 -2.807 1.00 40.23 O ATOM 1417 OD2 ASP A 95 -3.193 5.319 -3.945 1.00 53.03 O ATOM 0 H ASP A 95 -2.810 7.334 -0.531 1.00 41.30 H new ATOM 0 HA ASP A 95 -1.187 5.158 -0.027 1.00 33.02 H new ATOM 0 HB2 ASP A 95 -2.587 4.105 -1.816 1.00 14.52 H new ATOM 0 HB3 ASP A 95 -3.599 5.185 -0.877 1.00 14.52 H new ATOM 1422 N THR A 96 -0.415 6.658 -2.849 1.00 63.22 N ATOM 1423 CA THR A 96 0.554 6.801 -3.893 1.00 72.31 C ATOM 1424 C THR A 96 1.937 7.108 -3.306 1.00 62.12 C ATOM 1425 O THR A 96 2.956 6.563 -3.743 1.00 31.23 O ATOM 1426 CB THR A 96 0.102 7.908 -4.837 1.00 13.22 C ATOM 1427 OG1 THR A 96 -1.268 7.637 -5.249 1.00 11.52 O ATOM 1428 CG2 THR A 96 1.009 7.972 -6.048 1.00 41.23 C ATOM 0 H THR A 96 -1.168 7.344 -2.900 1.00 63.22 H new ATOM 0 HA THR A 96 0.635 5.867 -4.449 1.00 72.31 H new ATOM 0 HB THR A 96 0.152 8.869 -4.326 1.00 13.22 H new ATOM 0 HG1 THR A 96 -1.605 8.390 -5.778 1.00 11.52 H new ATOM 0 HG21 THR A 96 0.673 8.768 -6.713 1.00 41.23 H new ATOM 0 HG22 THR A 96 2.031 8.175 -5.727 1.00 41.23 H new ATOM 0 HG23 THR A 96 0.977 7.020 -6.577 1.00 41.23 H new ATOM 1436 N GLU A 97 1.942 7.962 -2.295 1.00 62.32 N ATOM 1437 CA GLU A 97 3.154 8.356 -1.617 1.00 43.34 C ATOM 1438 C GLU A 97 3.749 7.142 -0.926 1.00 10.32 C ATOM 1439 O GLU A 97 4.935 6.862 -1.067 1.00 4.40 O ATOM 1440 CB GLU A 97 2.846 9.421 -0.558 1.00 32.11 C ATOM 1441 CG GLU A 97 2.198 10.693 -1.085 1.00 34.23 C ATOM 1442 CD GLU A 97 3.100 11.471 -1.997 1.00 74.23 C ATOM 1443 OE1 GLU A 97 4.064 12.085 -1.509 1.00 55.32 O ATOM 1444 OE2 GLU A 97 2.877 11.475 -3.224 1.00 23.31 O ATOM 0 H GLU A 97 1.099 8.400 -1.924 1.00 62.32 H new ATOM 0 HA GLU A 97 3.854 8.764 -2.347 1.00 43.34 H new ATOM 0 HB2 GLU A 97 2.190 8.983 0.194 1.00 32.11 H new ATOM 0 HB3 GLU A 97 3.775 9.688 -0.054 1.00 32.11 H new ATOM 0 HG2 GLU A 97 1.284 10.435 -1.619 1.00 34.23 H new ATOM 0 HG3 GLU A 97 1.908 11.323 -0.244 1.00 34.23 H new ATOM 1451 N ILE A 98 2.875 6.373 -0.258 1.00 62.25 N ATOM 1452 CA ILE A 98 3.294 5.228 0.551 1.00 55.55 C ATOM 1453 C ILE A 98 4.002 4.218 -0.338 1.00 71.13 C ATOM 1454 O ILE A 98 5.128 3.818 -0.061 1.00 21.03 O ATOM 1455 CB ILE A 98 2.068 4.478 1.200 1.00 55.22 C ATOM 1456 CG1 ILE A 98 1.034 5.431 1.797 1.00 11.11 C ATOM 1457 CG2 ILE A 98 2.538 3.519 2.279 1.00 4.31 C ATOM 1458 CD1 ILE A 98 1.564 6.369 2.835 1.00 1.42 C ATOM 0 H ILE A 98 1.867 6.529 -0.266 1.00 62.25 H new ATOM 0 HA ILE A 98 3.942 5.615 1.337 1.00 55.55 H new ATOM 0 HB ILE A 98 1.587 3.929 0.390 1.00 55.22 H new ATOM 0 HG12 ILE A 98 0.594 6.017 0.990 1.00 11.11 H new ATOM 0 HG13 ILE A 98 0.230 4.841 2.238 1.00 11.11 H new ATOM 0 HG21 ILE A 98 1.677 3.011 2.715 1.00 4.31 H new ATOM 0 HG22 ILE A 98 3.212 2.782 1.842 1.00 4.31 H new ATOM 0 HG23 ILE A 98 3.063 4.075 3.056 1.00 4.31 H new ATOM 0 HD11 ILE A 98 0.756 7.004 3.198 1.00 1.42 H new ATOM 0 HD12 ILE A 98 1.977 5.797 3.666 1.00 1.42 H new ATOM 0 HD13 ILE A 98 2.346 6.991 2.398 1.00 1.42 H new ATOM 1470 N MET A 99 3.373 3.911 -1.464 1.00 15.32 N ATOM 1471 CA MET A 99 3.877 2.898 -2.383 1.00 62.13 C ATOM 1472 C MET A 99 5.164 3.336 -3.049 1.00 54.22 C ATOM 1473 O MET A 99 5.981 2.499 -3.428 1.00 40.01 O ATOM 1474 CB MET A 99 2.849 2.550 -3.457 1.00 4.24 C ATOM 1475 CG MET A 99 1.523 2.043 -2.936 1.00 70.30 C ATOM 1476 SD MET A 99 1.657 0.566 -1.918 1.00 53.03 S ATOM 1477 CE MET A 99 -0.067 0.299 -1.531 1.00 25.44 C ATOM 0 H MET A 99 2.505 4.353 -1.766 1.00 15.32 H new ATOM 0 HA MET A 99 4.075 2.011 -1.781 1.00 62.13 H new ATOM 0 HB2 MET A 99 2.668 3.436 -4.065 1.00 4.24 H new ATOM 0 HB3 MET A 99 3.276 1.794 -4.115 1.00 4.24 H new ATOM 0 HG2 MET A 99 1.047 2.832 -2.354 1.00 70.30 H new ATOM 0 HG3 MET A 99 0.868 1.832 -3.781 1.00 70.30 H new ATOM 0 HE1 MET A 99 -0.169 -0.605 -0.931 1.00 25.44 H new ATOM 0 HE2 MET A 99 -0.451 1.152 -0.971 1.00 25.44 H new ATOM 0 HE3 MET A 99 -0.634 0.187 -2.455 1.00 25.44 H new ATOM 1487 N ARG A 100 5.352 4.648 -3.184 1.00 52.52 N ATOM 1488 CA ARG A 100 6.532 5.184 -3.825 1.00 33.02 C ATOM 1489 C ARG A 100 7.806 4.741 -3.116 1.00 54.31 C ATOM 1490 O ARG A 100 8.602 3.990 -3.678 1.00 41.13 O ATOM 1491 CB ARG A 100 6.434 6.692 -3.901 1.00 21.14 C ATOM 1492 CG ARG A 100 7.660 7.389 -4.441 1.00 44.42 C ATOM 1493 CD ARG A 100 7.363 8.842 -4.636 1.00 35.14 C ATOM 1494 NE ARG A 100 6.333 9.041 -5.676 1.00 24.00 N ATOM 1495 CZ ARG A 100 5.209 9.748 -5.523 1.00 53.55 C ATOM 1496 NH1 ARG A 100 4.917 10.255 -4.338 1.00 55.22 N ATOM 1497 NH2 ARG A 100 4.369 9.916 -6.552 1.00 61.23 N ATOM 0 H ARG A 100 4.694 5.354 -2.854 1.00 52.52 H new ATOM 0 HA ARG A 100 6.585 4.788 -4.839 1.00 33.02 H new ATOM 0 HB2 ARG A 100 5.581 6.954 -4.527 1.00 21.14 H new ATOM 0 HB3 ARG A 100 6.226 7.078 -2.903 1.00 21.14 H new ATOM 0 HG2 ARG A 100 8.494 7.267 -3.750 1.00 44.42 H new ATOM 0 HG3 ARG A 100 7.961 6.938 -5.387 1.00 44.42 H new ATOM 0 HD2 ARG A 100 7.023 9.276 -3.696 1.00 35.14 H new ATOM 0 HD3 ARG A 100 8.275 9.368 -4.918 1.00 35.14 H new ATOM 0 HE ARG A 100 6.492 8.604 -6.584 1.00 24.00 H new ATOM 0 HH11 ARG A 100 5.547 10.105 -3.550 1.00 55.22 H new ATOM 0 HH12 ARG A 100 4.062 10.796 -4.211 1.00 55.22 H new ATOM 0 HH21 ARG A 100 4.585 9.503 -7.459 1.00 61.23 H new ATOM 0 HH22 ARG A 100 3.513 10.457 -6.428 1.00 61.23 H new ATOM 1511 N TRP A 101 7.984 5.169 -1.886 1.00 1.54 N ATOM 1512 CA TRP A 101 9.163 4.795 -1.126 1.00 11.43 C ATOM 1513 C TRP A 101 9.174 3.320 -0.769 1.00 32.24 C ATOM 1514 O TRP A 101 10.229 2.704 -0.701 1.00 3.23 O ATOM 1515 CB TRP A 101 9.425 5.717 0.077 1.00 24.15 C ATOM 1516 CG TRP A 101 8.215 6.045 0.886 1.00 43.14 C ATOM 1517 CD1 TRP A 101 7.468 7.175 0.782 1.00 14.52 C ATOM 1518 CD2 TRP A 101 7.605 5.256 1.913 1.00 34.12 C ATOM 1519 NE1 TRP A 101 6.438 7.142 1.670 1.00 62.42 N ATOM 1520 CE2 TRP A 101 6.494 5.975 2.377 1.00 64.22 C ATOM 1521 CE3 TRP A 101 7.885 4.012 2.483 1.00 4.41 C ATOM 1522 CZ2 TRP A 101 5.670 5.498 3.378 1.00 22.23 C ATOM 1523 CZ3 TRP A 101 7.061 3.543 3.474 1.00 10.45 C ATOM 1524 CH2 TRP A 101 5.964 4.282 3.914 1.00 44.30 C ATOM 0 H TRP A 101 7.331 5.775 -1.389 1.00 1.54 H new ATOM 0 HA TRP A 101 10.015 4.949 -1.789 1.00 11.43 H new ATOM 0 HB2 TRP A 101 10.162 5.244 0.726 1.00 24.15 H new ATOM 0 HB3 TRP A 101 9.867 6.646 -0.284 1.00 24.15 H new ATOM 0 HD1 TRP A 101 7.664 7.983 0.093 1.00 14.52 H new ATOM 0 HE1 TRP A 101 5.736 7.872 1.789 1.00 62.42 H new ATOM 0 HE3 TRP A 101 8.733 3.431 2.150 1.00 4.41 H new ATOM 0 HZ2 TRP A 101 4.822 6.070 3.723 1.00 22.23 H new ATOM 0 HZ3 TRP A 101 7.266 2.582 3.922 1.00 10.45 H new ATOM 0 HH2 TRP A 101 5.335 3.882 4.695 1.00 44.30 H new ATOM 1535 N LEU A 102 7.989 2.762 -0.569 1.00 64.52 N ATOM 1536 CA LEU A 102 7.832 1.354 -0.251 1.00 21.14 C ATOM 1537 C LEU A 102 8.375 0.434 -1.337 1.00 22.24 C ATOM 1538 O LEU A 102 8.972 -0.613 -1.043 1.00 52.34 O ATOM 1539 CB LEU A 102 6.373 1.021 -0.012 1.00 32.41 C ATOM 1540 CG LEU A 102 5.838 1.128 1.401 1.00 20.20 C ATOM 1541 CD1 LEU A 102 4.394 0.721 1.421 1.00 65.51 C ATOM 1542 CD2 LEU A 102 6.619 0.235 2.320 1.00 75.54 C ATOM 0 H LEU A 102 7.109 3.275 -0.623 1.00 64.52 H new ATOM 0 HA LEU A 102 8.415 1.183 0.654 1.00 21.14 H new ATOM 0 HB2 LEU A 102 5.774 1.675 -0.646 1.00 32.41 H new ATOM 0 HB3 LEU A 102 6.203 0.001 -0.356 1.00 32.41 H new ATOM 0 HG LEU A 102 5.936 2.160 1.739 1.00 20.20 H new ATOM 0 HD11 LEU A 102 4.008 0.798 2.438 1.00 65.51 H new ATOM 0 HD12 LEU A 102 3.822 1.377 0.765 1.00 65.51 H new ATOM 0 HD13 LEU A 102 4.301 -0.308 1.075 1.00 65.51 H new ATOM 0 HD21 LEU A 102 6.225 0.321 3.333 1.00 75.54 H new ATOM 0 HD22 LEU A 102 6.533 -0.798 1.983 1.00 75.54 H new ATOM 0 HD23 LEU A 102 7.668 0.533 2.312 1.00 75.54 H new ATOM 1554 N PHE A 103 8.152 0.788 -2.570 1.00 53.53 N ATOM 1555 CA PHE A 103 8.591 -0.038 -3.660 1.00 23.22 C ATOM 1556 C PHE A 103 9.926 0.383 -4.224 1.00 23.44 C ATOM 1557 O PHE A 103 10.439 -0.244 -5.152 1.00 24.34 O ATOM 1558 CB PHE A 103 7.512 -0.177 -4.727 1.00 63.11 C ATOM 1559 CG PHE A 103 6.402 -1.090 -4.288 1.00 53.00 C ATOM 1560 CD1 PHE A 103 5.288 -0.608 -3.612 1.00 24.22 C ATOM 1561 CD2 PHE A 103 6.487 -2.440 -4.544 1.00 75.42 C ATOM 1562 CE1 PHE A 103 4.286 -1.468 -3.205 1.00 62.15 C ATOM 1563 CE2 PHE A 103 5.500 -3.299 -4.143 1.00 71.40 C ATOM 1564 CZ PHE A 103 4.395 -2.819 -3.473 1.00 20.34 C ATOM 0 H PHE A 103 7.669 1.643 -2.847 1.00 53.53 H new ATOM 0 HA PHE A 103 8.759 -1.033 -3.249 1.00 23.22 H new ATOM 0 HB2 PHE A 103 7.103 0.806 -4.959 1.00 63.11 H new ATOM 0 HB3 PHE A 103 7.957 -0.562 -5.645 1.00 63.11 H new ATOM 0 HD1 PHE A 103 5.204 0.448 -3.403 1.00 24.22 H new ATOM 0 HD2 PHE A 103 7.347 -2.828 -5.070 1.00 75.42 H new ATOM 0 HE1 PHE A 103 3.423 -1.086 -2.680 1.00 62.15 H new ATOM 0 HE2 PHE A 103 5.587 -4.355 -4.352 1.00 71.40 H new ATOM 0 HZ PHE A 103 3.616 -3.498 -3.158 1.00 20.34 H new ATOM 1574 N THR A 104 10.479 1.429 -3.684 1.00 60.24 N ATOM 1575 CA THR A 104 11.800 1.842 -4.046 1.00 73.13 C ATOM 1576 C THR A 104 12.816 1.115 -3.146 1.00 21.20 C ATOM 1577 O THR A 104 12.779 1.278 -1.924 1.00 34.22 O ATOM 1578 CB THR A 104 11.951 3.371 -3.925 1.00 73.45 C ATOM 1579 OG1 THR A 104 10.973 4.005 -4.776 1.00 25.40 O ATOM 1580 CG2 THR A 104 13.341 3.822 -4.353 1.00 42.33 C ATOM 0 H THR A 104 10.028 2.017 -2.983 1.00 60.24 H new ATOM 0 HA THR A 104 11.988 1.579 -5.087 1.00 73.13 H new ATOM 0 HB THR A 104 11.800 3.653 -2.883 1.00 73.45 H new ATOM 0 HG1 THR A 104 10.096 3.983 -4.339 1.00 25.40 H new ATOM 0 HG21 THR A 104 13.418 4.905 -4.257 1.00 42.33 H new ATOM 0 HG22 THR A 104 14.089 3.347 -3.718 1.00 42.33 H new ATOM 0 HG23 THR A 104 13.513 3.537 -5.391 1.00 42.33 H new ATOM 1588 N PRO A 105 13.684 0.257 -3.732 1.00 11.20 N ATOM 1589 CA PRO A 105 14.718 -0.471 -2.978 1.00 72.43 C ATOM 1590 C PRO A 105 15.569 0.473 -2.141 1.00 51.22 C ATOM 1591 O PRO A 105 16.088 1.487 -2.645 1.00 10.32 O ATOM 1592 CB PRO A 105 15.551 -1.112 -4.078 1.00 54.15 C ATOM 1593 CG PRO A 105 14.592 -1.304 -5.188 1.00 32.24 C ATOM 1594 CD PRO A 105 13.714 -0.091 -5.163 1.00 65.54 C ATOM 0 HA PRO A 105 14.300 -1.187 -2.270 1.00 72.43 H new ATOM 0 HB2 PRO A 105 16.381 -0.471 -4.374 1.00 54.15 H new ATOM 0 HB3 PRO A 105 15.980 -2.060 -3.753 1.00 54.15 H new ATOM 0 HG2 PRO A 105 15.109 -1.396 -6.143 1.00 32.24 H new ATOM 0 HG3 PRO A 105 14.009 -2.215 -5.052 1.00 32.24 H new ATOM 0 HD2 PRO A 105 14.124 0.718 -5.768 1.00 65.54 H new ATOM 0 HD3 PRO A 105 12.717 -0.304 -5.549 1.00 65.54 H new ATOM 1602 N ASP A 106 15.713 0.149 -0.886 1.00 52.02 N ATOM 1603 CA ASP A 106 16.391 1.017 0.052 1.00 63.43 C ATOM 1604 C ASP A 106 17.878 0.698 0.102 1.00 73.01 C ATOM 1605 O ASP A 106 18.263 -0.464 0.307 1.00 44.41 O ATOM 1606 CB ASP A 106 15.789 0.869 1.444 1.00 25.04 C ATOM 1607 CG ASP A 106 16.303 1.911 2.414 1.00 55.44 C ATOM 1608 OD1 ASP A 106 17.374 1.737 2.987 1.00 52.15 O ATOM 1609 OD2 ASP A 106 15.621 2.941 2.607 1.00 61.01 O ATOM 0 H ASP A 106 15.367 -0.720 -0.480 1.00 52.02 H new ATOM 0 HA ASP A 106 16.262 2.045 -0.286 1.00 63.43 H new ATOM 0 HB2 ASP A 106 14.704 0.945 1.376 1.00 25.04 H new ATOM 0 HB3 ASP A 106 16.016 -0.125 1.830 1.00 25.04 H new ATOM 1614 N PRO A 107 18.744 1.711 -0.113 1.00 41.32 N ATOM 1615 CA PRO A 107 20.205 1.546 -0.075 1.00 32.22 C ATOM 1616 C PRO A 107 20.734 1.066 1.284 1.00 40.32 C ATOM 1617 O PRO A 107 21.743 0.367 1.351 1.00 42.11 O ATOM 1618 CB PRO A 107 20.750 2.944 -0.409 1.00 14.03 C ATOM 1619 CG PRO A 107 19.623 3.875 -0.130 1.00 2.23 C ATOM 1620 CD PRO A 107 18.371 3.107 -0.426 1.00 11.21 C ATOM 0 HA PRO A 107 20.525 0.774 -0.774 1.00 32.22 H new ATOM 0 HB2 PRO A 107 21.620 3.184 0.202 1.00 14.03 H new ATOM 0 HB3 PRO A 107 21.064 3.006 -1.451 1.00 14.03 H new ATOM 0 HG2 PRO A 107 19.640 4.209 0.908 1.00 2.23 H new ATOM 0 HG3 PRO A 107 19.690 4.767 -0.753 1.00 2.23 H new ATOM 0 HD2 PRO A 107 17.536 3.447 0.187 1.00 11.21 H new ATOM 0 HD3 PRO A 107 18.068 3.218 -1.467 1.00 11.21 H new ATOM 1628 N SER A 108 20.035 1.383 2.341 1.00 54.30 N ATOM 1629 CA SER A 108 20.486 1.060 3.662 1.00 41.30 C ATOM 1630 C SER A 108 19.789 -0.195 4.190 1.00 24.51 C ATOM 1631 O SER A 108 19.971 -0.578 5.344 1.00 50.42 O ATOM 1632 CB SER A 108 20.218 2.248 4.585 1.00 32.25 C ATOM 1633 OG SER A 108 20.836 3.431 4.080 1.00 70.04 O ATOM 0 H SER A 108 19.140 1.871 2.308 1.00 54.30 H new ATOM 0 HA SER A 108 21.556 0.854 3.631 1.00 41.30 H new ATOM 0 HB2 SER A 108 19.144 2.406 4.680 1.00 32.25 H new ATOM 0 HB3 SER A 108 20.598 2.032 5.583 1.00 32.25 H new ATOM 0 HG SER A 108 20.651 4.180 4.684 1.00 70.04 H new ATOM 1639 N LEU A 109 19.024 -0.854 3.359 1.00 73.41 N ATOM 1640 CA LEU A 109 18.316 -2.009 3.815 1.00 25.21 C ATOM 1641 C LEU A 109 18.988 -3.289 3.362 1.00 32.11 C ATOM 1642 O LEU A 109 19.196 -3.529 2.174 1.00 13.10 O ATOM 1643 CB LEU A 109 16.868 -1.990 3.370 1.00 75.13 C ATOM 1644 CG LEU A 109 15.985 -3.083 3.965 1.00 65.13 C ATOM 1645 CD1 LEU A 109 15.815 -2.890 5.469 1.00 70.44 C ATOM 1646 CD2 LEU A 109 14.650 -3.116 3.274 1.00 30.44 C ATOM 0 H LEU A 109 18.880 -0.612 2.379 1.00 73.41 H new ATOM 0 HA LEU A 109 18.336 -1.980 4.904 1.00 25.21 H new ATOM 0 HB2 LEU A 109 16.440 -1.021 3.626 1.00 75.13 H new ATOM 0 HB3 LEU A 109 16.838 -2.074 2.284 1.00 75.13 H new ATOM 0 HG LEU A 109 16.477 -4.043 3.806 1.00 65.13 H new ATOM 0 HD11 LEU A 109 15.182 -3.682 5.868 1.00 70.44 H new ATOM 0 HD12 LEU A 109 16.791 -2.927 5.953 1.00 70.44 H new ATOM 0 HD13 LEU A 109 15.351 -1.923 5.662 1.00 70.44 H new ATOM 0 HD21 LEU A 109 14.033 -3.901 3.711 1.00 30.44 H new ATOM 0 HD22 LEU A 109 14.153 -2.154 3.397 1.00 30.44 H new ATOM 0 HD23 LEU A 109 14.795 -3.317 2.212 1.00 30.44 H new ATOM 1658 N THR A 110 19.367 -4.063 4.318 1.00 71.01 N ATOM 1659 CA THR A 110 19.958 -5.359 4.126 1.00 1.12 C ATOM 1660 C THR A 110 19.216 -6.287 5.066 1.00 44.33 C ATOM 1661 O THR A 110 19.317 -6.132 6.278 1.00 73.53 O ATOM 1662 CB THR A 110 21.449 -5.322 4.511 1.00 75.43 C ATOM 1663 OG1 THR A 110 22.056 -4.148 3.923 1.00 62.34 O ATOM 1664 CG2 THR A 110 22.167 -6.567 4.005 1.00 12.31 C ATOM 0 H THR A 110 19.273 -3.807 5.301 1.00 71.01 H new ATOM 0 HA THR A 110 19.889 -5.683 3.088 1.00 1.12 H new ATOM 0 HB THR A 110 21.534 -5.290 5.597 1.00 75.43 H new ATOM 0 HG1 THR A 110 23.005 -4.115 4.164 1.00 62.34 H new ATOM 0 HG21 THR A 110 23.219 -6.521 4.288 1.00 12.31 H new ATOM 0 HG22 THR A 110 21.712 -7.454 4.446 1.00 12.31 H new ATOM 0 HG23 THR A 110 22.085 -6.618 2.919 1.00 12.31 H new ATOM 1672 N ILE A 111 18.431 -7.188 4.540 1.00 31.31 N ATOM 1673 CA ILE A 111 17.591 -8.021 5.394 1.00 52.13 C ATOM 1674 C ILE A 111 17.612 -9.451 5.044 1.00 71.22 C ATOM 1675 O ILE A 111 18.024 -9.835 3.971 1.00 2.34 O ATOM 1676 CB ILE A 111 16.124 -7.593 5.396 1.00 63.14 C ATOM 1677 CG1 ILE A 111 15.633 -7.320 3.960 1.00 21.43 C ATOM 1678 CG2 ILE A 111 15.910 -6.441 6.334 1.00 45.41 C ATOM 1679 CD1 ILE A 111 14.155 -7.066 3.846 1.00 53.53 C ATOM 0 H ILE A 111 18.347 -7.372 3.540 1.00 31.31 H new ATOM 0 HA ILE A 111 18.035 -7.877 6.379 1.00 52.13 H new ATOM 0 HB ILE A 111 15.510 -8.410 5.774 1.00 63.14 H new ATOM 0 HG12 ILE A 111 16.169 -6.458 3.564 1.00 21.43 H new ATOM 0 HG13 ILE A 111 15.892 -8.173 3.332 1.00 21.43 H new ATOM 0 HG21 ILE A 111 14.859 -6.151 6.321 1.00 45.41 H new ATOM 0 HG22 ILE A 111 16.192 -6.737 7.344 1.00 45.41 H new ATOM 0 HG23 ILE A 111 16.523 -5.597 6.019 1.00 45.41 H new ATOM 0 HD11 ILE A 111 13.897 -6.884 2.803 1.00 53.53 H new ATOM 0 HD12 ILE A 111 13.607 -7.936 4.209 1.00 53.53 H new ATOM 0 HD13 ILE A 111 13.888 -6.194 4.444 1.00 53.53 H new ATOM 1805 N VAL A 120 19.371 -10.288 1.747 1.00 53.52 N ATOM 1806 CA VAL A 120 19.126 -9.557 0.535 1.00 3.43 C ATOM 1807 C VAL A 120 19.500 -8.102 0.769 1.00 15.30 C ATOM 1808 O VAL A 120 18.958 -7.442 1.670 1.00 12.43 O ATOM 1809 CB VAL A 120 17.628 -9.637 0.115 1.00 44.34 C ATOM 1810 CG1 VAL A 120 17.390 -8.921 -1.208 1.00 61.22 C ATOM 1811 CG2 VAL A 120 17.166 -11.084 0.024 1.00 42.35 C ATOM 0 HA VAL A 120 19.725 -9.993 -0.265 1.00 3.43 H new ATOM 0 HB VAL A 120 17.042 -9.135 0.885 1.00 44.34 H new ATOM 0 HG11 VAL A 120 16.336 -8.993 -1.476 1.00 61.22 H new ATOM 0 HG12 VAL A 120 17.668 -7.872 -1.109 1.00 61.22 H new ATOM 0 HG13 VAL A 120 17.995 -9.385 -1.987 1.00 61.22 H new ATOM 0 HG21 VAL A 120 16.117 -11.113 -0.271 1.00 42.35 H new ATOM 0 HG22 VAL A 120 17.766 -11.612 -0.717 1.00 42.35 H new ATOM 0 HG23 VAL A 120 17.283 -11.565 0.995 1.00 42.35 H new ATOM 1821 N SER A 121 20.450 -7.633 0.019 1.00 62.30 N ATOM 1822 CA SER A 121 20.892 -6.270 0.102 1.00 31.41 C ATOM 1823 C SER A 121 20.097 -5.405 -0.875 1.00 21.20 C ATOM 1824 O SER A 121 19.804 -5.848 -1.994 1.00 74.33 O ATOM 1825 CB SER A 121 22.380 -6.213 -0.219 1.00 31.51 C ATOM 1826 OG SER A 121 23.097 -7.123 0.610 1.00 5.34 O ATOM 0 H SER A 121 20.947 -8.190 -0.676 1.00 62.30 H new ATOM 0 HA SER A 121 20.727 -5.886 1.109 1.00 31.41 H new ATOM 0 HB2 SER A 121 22.543 -6.460 -1.268 1.00 31.51 H new ATOM 0 HB3 SER A 121 22.754 -5.200 -0.068 1.00 31.51 H new ATOM 0 HG SER A 121 24.052 -7.079 0.394 1.00 5.34 H new ATOM 1832 N ASN A 122 19.705 -4.214 -0.428 1.00 43.24 N ATOM 1833 CA ASN A 122 18.998 -3.232 -1.247 1.00 62.44 C ATOM 1834 C ASN A 122 17.642 -3.779 -1.661 1.00 72.13 C ATOM 1835 O ASN A 122 17.343 -3.981 -2.834 1.00 10.02 O ATOM 1836 CB ASN A 122 19.864 -2.761 -2.454 1.00 11.14 C ATOM 1837 CG ASN A 122 19.246 -1.622 -3.261 1.00 35.25 C ATOM 1838 OD1 ASN A 122 19.471 -0.422 -2.827 1.00 41.00 O flip ATOM 1839 ND2 ASN A 122 18.578 -1.828 -4.266 1.00 22.24 N flip ATOM 0 H ASN A 122 19.872 -3.899 0.528 1.00 43.24 H new ATOM 0 HA ASN A 122 18.818 -2.338 -0.651 1.00 62.44 H new ATOM 0 HB2 ASN A 122 20.839 -2.442 -2.085 1.00 11.14 H new ATOM 0 HB3 ASN A 122 20.036 -3.609 -3.117 1.00 11.14 H new ATOM 0 HD21 ASN A 122 18.417 -2.784 -4.584 1.00 22.24 H new ATOM 0 HD22 ASN A 122 18.182 -1.044 -4.785 1.00 22.24 H new ATOM 1846 N ALA A 123 16.857 -4.091 -0.665 1.00 62.14 N ATOM 1847 CA ALA A 123 15.535 -4.618 -0.871 1.00 24.52 C ATOM 1848 C ALA A 123 14.538 -3.492 -0.739 1.00 61.33 C ATOM 1849 O ALA A 123 14.868 -2.433 -0.191 1.00 12.41 O ATOM 1850 CB ALA A 123 15.241 -5.721 0.139 1.00 41.44 C ATOM 0 H ALA A 123 17.117 -3.986 0.316 1.00 62.14 H new ATOM 0 HA ALA A 123 15.461 -5.052 -1.868 1.00 24.52 H new ATOM 0 HB1 ALA A 123 14.237 -6.110 -0.029 1.00 41.44 H new ATOM 0 HB2 ALA A 123 15.967 -6.526 0.021 1.00 41.44 H new ATOM 0 HB3 ALA A 123 15.309 -5.317 1.149 1.00 41.44 H new ATOM 1856 N ARG A 124 13.353 -3.686 -1.244 1.00 2.21 N ATOM 1857 CA ARG A 124 12.345 -2.670 -1.148 1.00 55.34 C ATOM 1858 C ARG A 124 11.620 -2.866 0.192 1.00 11.24 C ATOM 1859 O ARG A 124 11.407 -4.009 0.614 1.00 62.41 O ATOM 1860 CB ARG A 124 11.377 -2.745 -2.365 1.00 2.51 C ATOM 1861 CG ARG A 124 10.206 -3.706 -2.214 1.00 20.45 C ATOM 1862 CD ARG A 124 9.533 -4.012 -3.540 1.00 1.12 C ATOM 1863 NE ARG A 124 10.226 -5.086 -4.257 1.00 74.13 N ATOM 1864 CZ ARG A 124 9.749 -5.737 -5.333 1.00 33.34 C ATOM 1865 NH1 ARG A 124 8.775 -5.205 -6.079 1.00 1.20 N ATOM 1866 NH2 ARG A 124 10.311 -6.872 -5.706 1.00 4.52 N ATOM 0 H ARG A 124 13.062 -4.537 -1.725 1.00 2.21 H new ATOM 0 HA ARG A 124 12.786 -1.673 -1.175 1.00 55.34 H new ATOM 0 HB2 ARG A 124 10.983 -1.747 -2.555 1.00 2.51 H new ATOM 0 HB3 ARG A 124 11.950 -3.034 -3.246 1.00 2.51 H new ATOM 0 HG2 ARG A 124 10.558 -4.635 -1.765 1.00 20.45 H new ATOM 0 HG3 ARG A 124 9.474 -3.278 -1.529 1.00 20.45 H new ATOM 0 HD2 ARG A 124 8.496 -4.299 -3.366 1.00 1.12 H new ATOM 0 HD3 ARG A 124 9.515 -3.113 -4.157 1.00 1.12 H new ATOM 0 HE ARG A 124 11.145 -5.362 -3.912 1.00 74.13 H new ATOM 0 HH11 ARG A 124 8.385 -4.295 -5.835 1.00 1.20 H new ATOM 0 HH12 ARG A 124 8.422 -5.709 -6.892 1.00 1.20 H new ATOM 0 HH21 ARG A 124 11.100 -7.248 -5.180 1.00 4.52 H new ATOM 0 HH22 ARG A 124 9.956 -7.373 -6.521 1.00 4.52 H new ATOM 1880 N PRO A 125 11.286 -1.779 0.903 1.00 34.41 N ATOM 1881 CA PRO A 125 10.591 -1.843 2.205 1.00 1.11 C ATOM 1882 C PRO A 125 9.326 -2.744 2.225 1.00 11.21 C ATOM 1883 O PRO A 125 8.999 -3.325 3.250 1.00 14.22 O ATOM 1884 CB PRO A 125 10.220 -0.390 2.467 1.00 2.22 C ATOM 1885 CG PRO A 125 11.290 0.389 1.796 1.00 55.33 C ATOM 1886 CD PRO A 125 11.631 -0.378 0.549 1.00 14.22 C ATOM 0 HA PRO A 125 11.230 -2.297 2.962 1.00 1.11 H new ATOM 0 HB2 PRO A 125 9.238 -0.150 2.059 1.00 2.22 H new ATOM 0 HB3 PRO A 125 10.182 -0.176 3.535 1.00 2.22 H new ATOM 0 HG2 PRO A 125 10.949 1.396 1.555 1.00 55.33 H new ATOM 0 HG3 PRO A 125 12.162 0.494 2.442 1.00 55.33 H new ATOM 0 HD2 PRO A 125 11.057 -0.027 -0.309 1.00 14.22 H new ATOM 0 HD3 PRO A 125 12.685 -0.277 0.290 1.00 14.22 H new ATOM 1894 N VAL A 126 8.630 -2.876 1.102 1.00 70.52 N ATOM 1895 CA VAL A 126 7.446 -3.759 1.070 1.00 14.23 C ATOM 1896 C VAL A 126 7.860 -5.214 1.232 1.00 45.12 C ATOM 1897 O VAL A 126 7.208 -5.992 1.919 1.00 75.00 O ATOM 1898 CB VAL A 126 6.636 -3.637 -0.229 1.00 43.45 C ATOM 1899 CG1 VAL A 126 5.362 -4.430 -0.132 1.00 65.23 C ATOM 1900 CG2 VAL A 126 6.307 -2.233 -0.503 1.00 71.15 C ATOM 0 H VAL A 126 8.846 -2.405 0.223 1.00 70.52 H new ATOM 0 HA VAL A 126 6.816 -3.437 1.899 1.00 14.23 H new ATOM 0 HB VAL A 126 7.247 -4.030 -1.042 1.00 43.45 H new ATOM 0 HG11 VAL A 126 4.801 -4.332 -1.061 1.00 65.23 H new ATOM 0 HG12 VAL A 126 5.599 -5.480 0.040 1.00 65.23 H new ATOM 0 HG13 VAL A 126 4.761 -4.054 0.696 1.00 65.23 H new ATOM 0 HG21 VAL A 126 5.733 -2.167 -1.427 1.00 71.15 H new ATOM 0 HG22 VAL A 126 5.717 -1.830 0.320 1.00 71.15 H new ATOM 0 HG23 VAL A 126 7.227 -1.657 -0.605 1.00 71.15 H new ATOM 1910 N ASP A 127 8.984 -5.551 0.656 1.00 43.40 N ATOM 1911 CA ASP A 127 9.464 -6.920 0.690 1.00 64.03 C ATOM 1912 C ASP A 127 9.891 -7.229 2.113 1.00 24.35 C ATOM 1913 O ASP A 127 9.744 -8.336 2.604 1.00 73.41 O ATOM 1914 CB ASP A 127 10.630 -7.088 -0.272 1.00 23.14 C ATOM 1915 CG ASP A 127 10.867 -8.520 -0.642 1.00 44.21 C ATOM 1916 OD1 ASP A 127 11.602 -9.223 0.051 1.00 21.55 O ATOM 1917 OD2 ASP A 127 10.312 -8.956 -1.688 1.00 25.33 O ATOM 0 H ASP A 127 9.589 -4.900 0.156 1.00 43.40 H new ATOM 0 HA ASP A 127 8.678 -7.609 0.381 1.00 64.03 H new ATOM 0 HB2 ASP A 127 10.437 -6.510 -1.176 1.00 23.14 H new ATOM 0 HB3 ASP A 127 11.533 -6.679 0.182 1.00 23.14 H new ATOM 1922 N ALA A 128 10.349 -6.181 2.789 1.00 25.43 N ATOM 1923 CA ALA A 128 10.738 -6.238 4.179 1.00 52.54 C ATOM 1924 C ALA A 128 9.540 -6.559 5.073 1.00 20.33 C ATOM 1925 O ALA A 128 9.623 -7.421 5.927 1.00 55.13 O ATOM 1926 CB ALA A 128 11.381 -4.926 4.599 1.00 4.45 C ATOM 0 H ALA A 128 10.459 -5.256 2.373 1.00 25.43 H new ATOM 0 HA ALA A 128 11.467 -7.040 4.296 1.00 52.54 H new ATOM 0 HB1 ALA A 128 11.670 -4.982 5.649 1.00 4.45 H new ATOM 0 HB2 ALA A 128 12.265 -4.742 3.989 1.00 4.45 H new ATOM 0 HB3 ALA A 128 10.670 -4.112 4.461 1.00 4.45 H new ATOM 1932 N LEU A 129 8.415 -5.889 4.859 1.00 50.02 N ATOM 1933 CA LEU A 129 7.223 -6.136 5.679 1.00 4.13 C ATOM 1934 C LEU A 129 6.654 -7.526 5.404 1.00 65.01 C ATOM 1935 O LEU A 129 6.162 -8.203 6.323 1.00 44.12 O ATOM 1936 CB LEU A 129 6.181 -5.001 5.524 1.00 10.33 C ATOM 1937 CG LEU A 129 5.617 -4.766 4.130 1.00 22.50 C ATOM 1938 CD1 LEU A 129 4.430 -5.665 3.856 1.00 41.32 C ATOM 1939 CD2 LEU A 129 5.275 -3.305 3.905 1.00 32.22 C ATOM 0 H LEU A 129 8.297 -5.179 4.137 1.00 50.02 H new ATOM 0 HA LEU A 129 7.515 -6.125 6.729 1.00 4.13 H new ATOM 0 HB2 LEU A 129 5.348 -5.212 6.195 1.00 10.33 H new ATOM 0 HB3 LEU A 129 6.638 -4.072 5.865 1.00 10.33 H new ATOM 0 HG LEU A 129 6.396 -5.028 3.414 1.00 22.50 H new ATOM 0 HD11 LEU A 129 4.051 -5.472 2.852 1.00 41.32 H new ATOM 0 HD12 LEU A 129 4.738 -6.708 3.933 1.00 41.32 H new ATOM 0 HD13 LEU A 129 3.645 -5.464 4.585 1.00 41.32 H new ATOM 0 HD21 LEU A 129 4.875 -3.176 2.899 1.00 32.22 H new ATOM 0 HD22 LEU A 129 4.530 -2.989 4.635 1.00 32.22 H new ATOM 0 HD23 LEU A 129 6.174 -2.699 4.019 1.00 32.22 H new ATOM 1951 N HIS A 130 6.787 -7.968 4.153 1.00 31.02 N ATOM 1952 CA HIS A 130 6.396 -9.312 3.732 1.00 35.13 C ATOM 1953 C HIS A 130 7.276 -10.318 4.473 1.00 4.30 C ATOM 1954 O HIS A 130 6.836 -11.388 4.885 1.00 75.13 O ATOM 1955 CB HIS A 130 6.606 -9.447 2.204 1.00 52.45 C ATOM 1956 CG HIS A 130 6.228 -10.781 1.609 1.00 35.03 C ATOM 1957 ND1 HIS A 130 7.080 -11.867 1.532 1.00 71.23 N ATOM 1958 CD2 HIS A 130 5.070 -11.183 1.042 1.00 24.04 C ATOM 1959 CE1 HIS A 130 6.430 -12.860 0.940 1.00 52.15 C ATOM 1960 NE2 HIS A 130 5.200 -12.500 0.619 1.00 12.43 N ATOM 0 H HIS A 130 7.172 -7.399 3.399 1.00 31.02 H new ATOM 0 HA HIS A 130 5.347 -9.499 3.961 1.00 35.13 H new ATOM 0 HB2 HIS A 130 6.026 -8.670 1.706 1.00 52.45 H new ATOM 0 HB3 HIS A 130 7.655 -9.254 1.981 1.00 52.45 H new ATOM 0 HD2 HIS A 130 4.183 -10.576 0.934 1.00 24.04 H new ATOM 0 HE1 HIS A 130 6.851 -13.835 0.746 1.00 52.15 H new ATOM 0 HE2 HIS A 130 4.492 -13.071 0.156 1.00 12.43 H new ATOM 1968 N ALA A 131 8.508 -9.905 4.691 1.00 64.32 N ATOM 1969 CA ALA A 131 9.522 -10.721 5.360 1.00 71.24 C ATOM 1970 C ALA A 131 9.505 -10.525 6.884 1.00 54.33 C ATOM 1971 O ALA A 131 10.415 -10.976 7.584 1.00 51.12 O ATOM 1972 CB ALA A 131 10.902 -10.399 4.802 1.00 2.14 C ATOM 0 H ALA A 131 8.845 -8.985 4.409 1.00 64.32 H new ATOM 0 HA ALA A 131 9.286 -11.767 5.164 1.00 71.24 H new ATOM 0 HB1 ALA A 131 11.650 -11.011 5.306 1.00 2.14 H new ATOM 0 HB2 ALA A 131 10.921 -10.610 3.733 1.00 2.14 H new ATOM 0 HB3 ALA A 131 11.124 -9.345 4.967 1.00 2.14 H new ATOM 1978 N HIS A 132 8.468 -9.842 7.380 1.00 34.50 N ATOM 1979 CA HIS A 132 8.240 -9.600 8.827 1.00 60.43 C ATOM 1980 C HIS A 132 9.283 -8.660 9.436 1.00 60.34 C ATOM 1981 O HIS A 132 9.509 -8.643 10.643 1.00 23.13 O ATOM 1982 CB HIS A 132 8.134 -10.929 9.617 1.00 14.54 C ATOM 1983 CG HIS A 132 6.969 -11.783 9.193 1.00 35.44 C ATOM 1984 ND1 HIS A 132 5.768 -11.840 9.865 1.00 54.44 N ATOM 1985 CD2 HIS A 132 6.831 -12.603 8.121 1.00 62.11 C ATOM 1986 CE1 HIS A 132 4.963 -12.660 9.196 1.00 51.22 C ATOM 1987 NE2 HIS A 132 5.555 -13.152 8.129 1.00 4.22 N ATOM 0 H HIS A 132 7.747 -9.431 6.787 1.00 34.50 H new ATOM 0 HA HIS A 132 7.280 -9.091 8.911 1.00 60.43 H new ATOM 0 HB2 HIS A 132 9.056 -11.495 9.488 1.00 14.54 H new ATOM 0 HB3 HIS A 132 8.044 -10.705 10.680 1.00 14.54 H new ATOM 0 HD2 HIS A 132 7.592 -12.798 7.380 1.00 62.11 H new ATOM 0 HE1 HIS A 132 3.951 -12.893 9.491 1.00 51.22 H new ATOM 0 HE2 HIS A 132 5.159 -13.801 7.449 1.00 4.22 H new ATOM 1995 N GLN A 133 9.809 -7.804 8.608 1.00 42.03 N ATOM 1996 CA GLN A 133 10.799 -6.799 8.981 1.00 4.11 C ATOM 1997 C GLN A 133 10.106 -5.433 8.997 1.00 1.45 C ATOM 1998 O GLN A 133 10.741 -4.395 8.857 1.00 44.41 O ATOM 1999 CB GLN A 133 11.946 -6.802 7.956 1.00 63.12 C ATOM 2000 CG GLN A 133 12.561 -8.178 7.714 1.00 50.25 C ATOM 2001 CD GLN A 133 13.319 -8.744 8.902 1.00 22.24 C ATOM 2002 OE1 GLN A 133 13.044 -8.435 10.066 1.00 61.42 O ATOM 2003 NE2 GLN A 133 14.224 -9.626 8.626 1.00 1.43 N ATOM 0 H GLN A 133 9.561 -7.774 7.619 1.00 42.03 H new ATOM 0 HA GLN A 133 11.215 -7.016 9.965 1.00 4.11 H new ATOM 0 HB2 GLN A 133 11.574 -6.410 7.009 1.00 63.12 H new ATOM 0 HB3 GLN A 133 12.726 -6.122 8.298 1.00 63.12 H new ATOM 0 HG2 GLN A 133 11.768 -8.874 7.439 1.00 50.25 H new ATOM 0 HG3 GLN A 133 13.239 -8.115 6.863 1.00 50.25 H new ATOM 0 HE21 GLN A 133 14.429 -9.860 7.655 1.00 1.43 H new ATOM 0 HE22 GLN A 133 14.733 -10.088 9.380 1.00 1.43 H new ATOM 2012 N ALA A 134 8.788 -5.470 9.187 1.00 53.22 N ATOM 2013 CA ALA A 134 7.898 -4.302 9.108 1.00 31.05 C ATOM 2014 C ALA A 134 8.333 -3.129 9.992 1.00 52.12 C ATOM 2015 O ALA A 134 8.097 -1.981 9.631 1.00 53.20 O ATOM 2016 CB ALA A 134 6.476 -4.705 9.452 1.00 32.05 C ATOM 0 H ALA A 134 8.292 -6.334 9.406 1.00 53.22 H new ATOM 0 HA ALA A 134 7.955 -3.949 8.078 1.00 31.05 H new ATOM 0 HB1 ALA A 134 5.826 -3.833 9.390 1.00 32.05 H new ATOM 0 HB2 ALA A 134 6.133 -5.464 8.749 1.00 32.05 H new ATOM 0 HB3 ALA A 134 6.447 -5.108 10.464 1.00 32.05 H new ATOM 2022 N ARG A 135 8.979 -3.405 11.118 1.00 14.05 N ATOM 2023 CA ARG A 135 9.470 -2.331 12.005 1.00 72.03 C ATOM 2024 C ARG A 135 10.440 -1.416 11.275 1.00 22.41 C ATOM 2025 O ARG A 135 10.389 -0.191 11.425 1.00 4.25 O ATOM 2026 CB ARG A 135 10.138 -2.896 13.255 1.00 74.23 C ATOM 2027 CG ARG A 135 9.198 -3.619 14.205 1.00 75.24 C ATOM 2028 CD ARG A 135 8.108 -2.697 14.733 1.00 74.23 C ATOM 2029 NE ARG A 135 7.213 -3.392 15.664 1.00 65.25 N ATOM 2030 CZ ARG A 135 6.097 -2.869 16.199 1.00 64.15 C ATOM 2031 NH1 ARG A 135 5.730 -1.637 15.895 1.00 50.44 N ATOM 2032 NH2 ARG A 135 5.358 -3.590 17.037 1.00 62.11 N ATOM 0 H ARG A 135 9.179 -4.350 11.446 1.00 14.05 H new ATOM 0 HA ARG A 135 8.600 -1.751 12.311 1.00 72.03 H new ATOM 0 HB2 ARG A 135 10.925 -3.585 12.950 1.00 74.23 H new ATOM 0 HB3 ARG A 135 10.620 -2.080 13.793 1.00 74.23 H new ATOM 0 HG2 ARG A 135 8.741 -4.464 13.691 1.00 75.24 H new ATOM 0 HG3 ARG A 135 9.768 -4.024 15.041 1.00 75.24 H new ATOM 0 HD2 ARG A 135 8.565 -1.844 15.235 1.00 74.23 H new ATOM 0 HD3 ARG A 135 7.529 -2.302 13.898 1.00 74.23 H new ATOM 0 HE ARG A 135 7.457 -4.347 15.926 1.00 65.25 H new ATOM 0 HH11 ARG A 135 6.294 -1.081 15.253 1.00 50.44 H new ATOM 0 HH12 ARG A 135 4.882 -1.242 16.302 1.00 50.44 H new ATOM 0 HH21 ARG A 135 5.638 -4.542 17.275 1.00 62.11 H new ATOM 0 HH22 ARG A 135 4.511 -3.191 17.442 1.00 62.11 H new ATOM 2046 N GLU A 136 11.268 -2.006 10.438 1.00 12.41 N ATOM 2047 CA GLU A 136 12.263 -1.270 9.675 1.00 22.45 C ATOM 2048 C GLU A 136 11.565 -0.391 8.642 1.00 11.21 C ATOM 2049 O GLU A 136 12.035 0.691 8.296 1.00 61.41 O ATOM 2050 CB GLU A 136 13.193 -2.248 8.961 1.00 24.10 C ATOM 2051 CG GLU A 136 13.870 -3.254 9.880 1.00 53.41 C ATOM 2052 CD GLU A 136 14.727 -2.604 10.930 1.00 32.42 C ATOM 2053 OE1 GLU A 136 15.893 -2.262 10.629 1.00 72.10 O ATOM 2054 OE2 GLU A 136 14.269 -2.452 12.084 1.00 42.12 O ATOM 0 H GLU A 136 11.273 -3.011 10.265 1.00 12.41 H new ATOM 0 HA GLU A 136 12.846 -0.646 10.353 1.00 22.45 H new ATOM 0 HB2 GLU A 136 12.622 -2.790 8.207 1.00 24.10 H new ATOM 0 HB3 GLU A 136 13.961 -1.682 8.433 1.00 24.10 H new ATOM 0 HG2 GLU A 136 13.109 -3.864 10.366 1.00 53.41 H new ATOM 0 HG3 GLU A 136 14.484 -3.928 9.283 1.00 53.41 H new ATOM 2061 N VAL A 137 10.425 -0.863 8.194 1.00 13.25 N ATOM 2062 CA VAL A 137 9.612 -0.187 7.200 1.00 3.12 C ATOM 2063 C VAL A 137 8.967 1.050 7.808 1.00 21.42 C ATOM 2064 O VAL A 137 8.992 2.131 7.218 1.00 31.24 O ATOM 2065 CB VAL A 137 8.513 -1.132 6.677 1.00 30.31 C ATOM 2066 CG1 VAL A 137 7.676 -0.474 5.597 1.00 14.20 C ATOM 2067 CG2 VAL A 137 9.130 -2.420 6.180 1.00 52.13 C ATOM 0 H VAL A 137 10.025 -1.745 8.514 1.00 13.25 H new ATOM 0 HA VAL A 137 10.254 0.109 6.371 1.00 3.12 H new ATOM 0 HB VAL A 137 7.842 -1.362 7.504 1.00 30.31 H new ATOM 0 HG11 VAL A 137 6.912 -1.171 5.253 1.00 14.20 H new ATOM 0 HG12 VAL A 137 7.198 0.418 6.001 1.00 14.20 H new ATOM 0 HG13 VAL A 137 8.316 -0.196 4.760 1.00 14.20 H new ATOM 0 HG21 VAL A 137 8.345 -3.081 5.812 1.00 52.13 H new ATOM 0 HG22 VAL A 137 9.828 -2.201 5.372 1.00 52.13 H new ATOM 0 HG23 VAL A 137 9.662 -2.907 6.997 1.00 52.13 H new ATOM 2077 N VAL A 138 8.432 0.890 9.003 1.00 12.52 N ATOM 2078 CA VAL A 138 7.800 1.988 9.731 1.00 73.03 C ATOM 2079 C VAL A 138 8.829 3.079 9.994 1.00 52.15 C ATOM 2080 O VAL A 138 8.566 4.262 9.827 1.00 31.02 O ATOM 2081 CB VAL A 138 7.245 1.511 11.083 1.00 41.12 C ATOM 2082 CG1 VAL A 138 6.524 2.647 11.796 1.00 1.31 C ATOM 2083 CG2 VAL A 138 6.316 0.328 10.908 1.00 74.11 C ATOM 0 H VAL A 138 8.420 -0.000 9.501 1.00 12.52 H new ATOM 0 HA VAL A 138 6.979 2.367 9.122 1.00 73.03 H new ATOM 0 HB VAL A 138 8.088 1.191 11.695 1.00 41.12 H new ATOM 0 HG11 VAL A 138 6.138 2.290 12.751 1.00 1.31 H new ATOM 0 HG12 VAL A 138 7.220 3.468 11.970 1.00 1.31 H new ATOM 0 HG13 VAL A 138 5.697 2.997 11.178 1.00 1.31 H new ATOM 0 HG21 VAL A 138 5.940 0.014 11.882 1.00 74.11 H new ATOM 0 HG22 VAL A 138 5.479 0.614 10.271 1.00 74.11 H new ATOM 0 HG23 VAL A 138 6.859 -0.496 10.446 1.00 74.11 H new ATOM 2093 N ARG A 139 9.999 2.653 10.384 1.00 64.25 N ATOM 2094 CA ARG A 139 11.122 3.538 10.625 1.00 34.32 C ATOM 2095 C ARG A 139 11.511 4.316 9.359 1.00 61.24 C ATOM 2096 O ARG A 139 11.837 5.506 9.419 1.00 52.23 O ATOM 2097 CB ARG A 139 12.285 2.716 11.125 1.00 65.12 C ATOM 2098 CG ARG A 139 12.150 2.264 12.559 1.00 71.14 C ATOM 2099 CD ARG A 139 13.281 1.337 12.952 1.00 62.51 C ATOM 2100 NE ARG A 139 14.599 1.934 12.711 1.00 22.11 N ATOM 2101 CZ ARG A 139 15.661 1.802 13.507 1.00 2.10 C ATOM 2102 NH1 ARG A 139 15.600 1.038 14.594 1.00 62.11 N ATOM 2103 NH2 ARG A 139 16.795 2.400 13.176 1.00 62.22 N ATOM 0 H ARG A 139 10.209 1.668 10.548 1.00 64.25 H new ATOM 0 HA ARG A 139 10.838 4.276 11.375 1.00 34.32 H new ATOM 0 HB2 ARG A 139 12.396 1.839 10.488 1.00 65.12 H new ATOM 0 HB3 ARG A 139 13.199 3.301 11.024 1.00 65.12 H new ATOM 0 HG2 ARG A 139 12.143 3.133 13.217 1.00 71.14 H new ATOM 0 HG3 ARG A 139 11.196 1.755 12.694 1.00 71.14 H new ATOM 0 HD2 ARG A 139 13.188 1.081 14.007 1.00 62.51 H new ATOM 0 HD3 ARG A 139 13.198 0.407 12.390 1.00 62.51 H new ATOM 0 HE ARG A 139 14.712 2.495 11.867 1.00 22.11 H new ATOM 0 HH11 ARG A 139 14.736 0.547 14.825 1.00 62.11 H new ATOM 0 HH12 ARG A 139 16.417 0.943 15.197 1.00 62.11 H new ATOM 0 HH21 ARG A 139 16.849 2.954 12.321 1.00 62.22 H new ATOM 0 HH22 ARG A 139 17.615 2.307 13.776 1.00 62.22 H new ATOM 2117 N ARG A 140 11.450 3.646 8.225 1.00 3.11 N ATOM 2118 CA ARG A 140 11.759 4.254 6.928 1.00 34.04 C ATOM 2119 C ARG A 140 10.667 5.306 6.613 1.00 3.33 C ATOM 2120 O ARG A 140 10.944 6.384 6.088 1.00 71.11 O ATOM 2121 CB ARG A 140 11.768 3.141 5.861 1.00 32.24 C ATOM 2122 CG ARG A 140 12.767 3.291 4.707 1.00 61.24 C ATOM 2123 CD ARG A 140 12.533 4.502 3.818 1.00 61.23 C ATOM 2124 NE ARG A 140 13.441 4.462 2.666 1.00 33.11 N ATOM 2125 CZ ARG A 140 13.323 5.163 1.537 1.00 1.53 C ATOM 2126 NH1 ARG A 140 12.511 6.211 1.466 1.00 43.31 N ATOM 2127 NH2 ARG A 140 14.103 4.873 0.509 1.00 54.32 N ATOM 0 H ARG A 140 11.185 2.663 8.168 1.00 3.11 H new ATOM 0 HA ARG A 140 12.733 4.743 6.939 1.00 34.04 H new ATOM 0 HB2 ARG A 140 11.968 2.194 6.361 1.00 32.24 H new ATOM 0 HB3 ARG A 140 10.767 3.071 5.436 1.00 32.24 H new ATOM 0 HG2 ARG A 140 13.774 3.350 5.121 1.00 61.24 H new ATOM 0 HG3 ARG A 140 12.728 2.392 4.091 1.00 61.24 H new ATOM 0 HD2 ARG A 140 11.498 4.517 3.476 1.00 61.23 H new ATOM 0 HD3 ARG A 140 12.694 5.418 4.387 1.00 61.23 H new ATOM 0 HE ARG A 140 14.243 3.835 2.735 1.00 33.11 H new ATOM 0 HH11 ARG A 140 11.966 6.490 2.282 1.00 43.31 H new ATOM 0 HH12 ARG A 140 12.432 6.737 0.596 1.00 43.31 H new ATOM 0 HH21 ARG A 140 14.787 4.120 0.584 1.00 54.32 H new ATOM 0 HH22 ARG A 140 14.021 5.403 -0.359 1.00 54.32 H new ATOM 2141 N ALA A 141 9.437 4.975 6.976 1.00 2.23 N ATOM 2142 CA ALA A 141 8.285 5.854 6.802 1.00 40.35 C ATOM 2143 C ALA A 141 8.432 7.116 7.632 1.00 43.35 C ATOM 2144 O ALA A 141 8.131 8.215 7.158 1.00 22.25 O ATOM 2145 CB ALA A 141 7.030 5.127 7.203 1.00 21.22 C ATOM 0 H ALA A 141 9.206 4.079 7.405 1.00 2.23 H new ATOM 0 HA ALA A 141 8.226 6.140 5.752 1.00 40.35 H new ATOM 0 HB1 ALA A 141 6.171 5.785 7.072 1.00 21.22 H new ATOM 0 HB2 ALA A 141 6.907 4.242 6.579 1.00 21.22 H new ATOM 0 HB3 ALA A 141 7.102 4.827 8.248 1.00 21.22 H new ATOM 2151 N GLN A 142 8.896 6.954 8.866 1.00 60.45 N ATOM 2152 CA GLN A 142 9.119 8.080 9.765 1.00 55.24 C ATOM 2153 C GLN A 142 10.114 9.057 9.152 1.00 10.43 C ATOM 2154 O GLN A 142 9.905 10.263 9.184 1.00 13.32 O ATOM 2155 CB GLN A 142 9.640 7.617 11.122 1.00 62.13 C ATOM 2156 CG GLN A 142 8.737 6.641 11.858 1.00 22.24 C ATOM 2157 CD GLN A 142 9.299 6.268 13.213 1.00 30.34 C ATOM 2158 OE1 GLN A 142 9.976 7.071 13.855 1.00 4.04 O ATOM 2159 NE2 GLN A 142 9.031 5.072 13.664 1.00 51.35 N ATOM 0 H GLN A 142 9.127 6.046 9.269 1.00 60.45 H new ATOM 0 HA GLN A 142 8.159 8.575 9.913 1.00 55.24 H new ATOM 0 HB2 GLN A 142 10.615 7.150 10.980 1.00 62.13 H new ATOM 0 HB3 GLN A 142 9.794 8.492 11.753 1.00 62.13 H new ATOM 0 HG2 GLN A 142 7.749 7.084 11.984 1.00 22.24 H new ATOM 0 HG3 GLN A 142 8.609 5.741 11.257 1.00 22.24 H new ATOM 0 HE21 GLN A 142 8.467 4.431 13.106 1.00 51.35 H new ATOM 0 HE22 GLN A 142 9.386 4.779 14.574 1.00 51.35 H new ATOM 2168 N ALA A 143 11.164 8.512 8.546 1.00 22.40 N ATOM 2169 CA ALA A 143 12.211 9.312 7.915 1.00 4.42 C ATOM 2170 C ALA A 143 11.661 10.145 6.752 1.00 5.31 C ATOM 2171 O ALA A 143 12.096 11.275 6.528 1.00 62.21 O ATOM 2172 CB ALA A 143 13.352 8.422 7.447 1.00 53.13 C ATOM 0 H ALA A 143 11.314 7.505 8.478 1.00 22.40 H new ATOM 0 HA ALA A 143 12.594 10.006 8.663 1.00 4.42 H new ATOM 0 HB1 ALA A 143 14.123 9.034 6.979 1.00 53.13 H new ATOM 0 HB2 ALA A 143 13.776 7.895 8.301 1.00 53.13 H new ATOM 0 HB3 ALA A 143 12.976 7.698 6.724 1.00 53.13 H new ATOM 2178 N MET A 144 10.708 9.585 6.024 1.00 52.14 N ATOM 2179 CA MET A 144 10.062 10.290 4.913 1.00 51.55 C ATOM 2180 C MET A 144 9.054 11.329 5.431 1.00 43.13 C ATOM 2181 O MET A 144 8.777 12.343 4.782 1.00 14.53 O ATOM 2182 CB MET A 144 9.371 9.280 3.970 1.00 43.35 C ATOM 2183 CG MET A 144 8.559 9.903 2.822 1.00 24.44 C ATOM 2184 SD MET A 144 9.524 10.960 1.708 1.00 72.22 S ATOM 2185 CE MET A 144 10.729 9.800 1.063 1.00 42.12 C ATOM 0 H MET A 144 10.359 8.639 6.179 1.00 52.14 H new ATOM 0 HA MET A 144 10.830 10.822 4.351 1.00 51.55 H new ATOM 0 HB2 MET A 144 10.132 8.628 3.542 1.00 43.35 H new ATOM 0 HB3 MET A 144 8.707 8.650 4.562 1.00 43.35 H new ATOM 0 HG2 MET A 144 8.104 9.102 2.239 1.00 24.44 H new ATOM 0 HG3 MET A 144 7.745 10.491 3.246 1.00 24.44 H new ATOM 0 HE1 MET A 144 11.248 10.248 0.216 1.00 42.12 H new ATOM 0 HE2 MET A 144 11.451 9.554 1.842 1.00 42.12 H new ATOM 0 HE3 MET A 144 10.222 8.891 0.739 1.00 42.12 H new ATOM 2195 N ALA A 145 8.508 11.086 6.593 1.00 40.41 N ATOM 2196 CA ALA A 145 7.534 11.992 7.148 1.00 40.13 C ATOM 2197 C ALA A 145 8.196 13.166 7.860 1.00 11.20 C ATOM 2198 O ALA A 145 7.832 14.320 7.628 1.00 2.43 O ATOM 2199 CB ALA A 145 6.546 11.269 8.055 1.00 54.42 C ATOM 0 H ALA A 145 8.719 10.273 7.172 1.00 40.41 H new ATOM 0 HA ALA A 145 6.965 12.402 6.313 1.00 40.13 H new ATOM 0 HB1 ALA A 145 5.828 11.985 8.454 1.00 54.42 H new ATOM 0 HB2 ALA A 145 6.018 10.506 7.483 1.00 54.42 H new ATOM 0 HB3 ALA A 145 7.084 10.798 8.877 1.00 54.42 H new ATOM 2205 N TYR A 146 9.171 12.884 8.689 1.00 54.10 N ATOM 2206 CA TYR A 146 9.849 13.905 9.464 1.00 42.10 C ATOM 2207 C TYR A 146 11.334 13.754 9.289 1.00 64.45 C ATOM 2208 O TYR A 146 11.927 12.863 9.912 1.00 37.15 O ATOM 2209 CB TYR A 146 9.468 13.816 10.954 1.00 41.32 C ATOM 2210 CG TYR A 146 7.986 13.954 11.201 1.00 62.52 C ATOM 2211 CD1 TYR A 146 7.390 15.199 11.331 1.00 22.53 C ATOM 2212 CD2 TYR A 146 7.177 12.833 11.268 1.00 75.52 C ATOM 2213 CE1 TYR A 146 6.029 15.316 11.525 1.00 32.11 C ATOM 2214 CE2 TYR A 146 5.825 12.943 11.451 1.00 73.20 C ATOM 2215 CZ TYR A 146 5.251 14.184 11.577 1.00 34.24 C ATOM 2216 OH TYR A 146 3.891 14.292 11.758 1.00 31.41 O ATOM 2217 OXT TYR A 146 11.924 14.513 8.502 1.00 37.15 O ATOM 0 H TYR A 146 9.521 11.939 8.849 1.00 54.10 H new ATOM 0 HA TYR A 146 9.538 14.886 9.104 1.00 42.10 H new ATOM 0 HB2 TYR A 146 9.808 12.860 11.352 1.00 41.32 H new ATOM 0 HB3 TYR A 146 9.995 14.596 11.504 1.00 41.32 H new ATOM 0 HD1 TYR A 146 7.999 16.089 11.280 1.00 22.53 H new ATOM 0 HD2 TYR A 146 7.621 11.853 11.174 1.00 75.52 H new ATOM 0 HE1 TYR A 146 5.578 16.291 11.635 1.00 32.11 H new ATOM 0 HE2 TYR A 146 5.211 12.056 11.496 1.00 73.20 H new ATOM 0 HH TYR A 146 3.491 13.398 11.770 1.00 31.41 H new