USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 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 346 HIS : no HD1:sc= -0.536 K(o=0.44,f=-3.8) USER MOD Set 1.2: A 359 THR OG1 : rot 86:sc= 0.974 USER MOD Set 2.1: A 347 CYS SG : rot 169:sc= -1.41! USER MOD Set 2.2: A 358 CYS SG : rot 130:sc= -1.38! USER MOD Set 2.3: A 364 CYS SG : rot 133:sc= 1.55 USER MOD Set 2.4: A 366 THR OG1 : rot 140:sc= -0.262 USER MOD Set 2.5: A 367 HIS : no HE2:sc= -1.25 K(o=-2.7,f=-5!) USER MOD Single : A 354 THR OG1 : rot -76:sc= -0.367 USER MOD Single : A 355 LYS NZ :NH3+ -134:sc= -0.359 (180deg=-2.12!) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -44:sc= 0.4 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 180:sc= -0.856 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -0.737 K(o=-0.74,f=0) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 380 LYS NZ :NH3+ 144:sc= 1.95 (180deg=1.01) USER MOD Single : A 389 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-7.3!) USER MOD Single : A 390 LYS NZ :NH3+ -150:sc= -0.21 (180deg=-0.866) USER MOD Single : A 391 ASN : amide:sc= 1.2 K(o=1.2,f=-0.026) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= -0.316 USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.535 1.196 -7.412 1.00 0.00 N ATOM 41 CA PHE A 341 55.983 1.027 -7.271 1.00 0.00 C ATOM 42 C PHE A 341 56.791 2.116 -7.896 1.00 0.00 C ATOM 43 O PHE A 341 56.715 2.409 -9.097 1.00 0.00 O ATOM 44 CB PHE A 341 56.417 -0.283 -7.910 1.00 0.00 C ATOM 45 CG PHE A 341 57.893 -0.485 -7.860 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.511 -0.718 -6.668 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.653 -0.423 -9.006 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.849 -0.885 -6.600 1.00 0.00 C ATOM 49 CE2 PHE A 341 60.008 -0.596 -8.954 1.00 0.00 C ATOM 50 CZ PHE A 341 60.614 -0.826 -7.745 1.00 0.00 C ATOM 0 HA PHE A 341 56.169 1.046 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.923 -1.112 -7.402 1.00 0.00 H new ATOM 0 HB3 PHE A 341 56.086 -0.303 -8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.922 -0.770 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 341 58.174 -0.236 -9.956 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.321 -1.065 -5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.597 -0.552 -9.858 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.684 -0.960 -7.691 1.00 0.00 H new ATOM 60 N ASP A 342 57.575 2.677 -7.040 1.00 0.00 N ATOM 61 CA ASP A 342 58.469 3.740 -7.365 1.00 0.00 C ATOM 62 C ASP A 342 59.857 3.170 -7.319 1.00 0.00 C ATOM 63 O ASP A 342 60.377 2.931 -6.240 1.00 0.00 O ATOM 64 CB ASP A 342 58.396 4.933 -6.365 1.00 0.00 C ATOM 65 CG ASP A 342 57.072 5.653 -6.309 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.202 5.287 -5.502 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.889 6.650 -7.062 1.00 0.00 O ATOM 0 H ASP A 342 57.614 2.400 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 342 58.196 4.131 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.631 4.563 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.171 5.653 -6.628 1.00 0.00 H new ATOM 72 N PRO A 343 60.466 2.879 -8.462 1.00 0.00 N ATOM 73 CA PRO A 343 61.788 2.264 -8.500 1.00 0.00 C ATOM 74 C PRO A 343 62.866 3.047 -7.775 1.00 0.00 C ATOM 75 O PRO A 343 63.552 2.498 -6.928 1.00 0.00 O ATOM 76 CB PRO A 343 62.101 2.130 -9.981 1.00 0.00 C ATOM 77 CG PRO A 343 61.148 3.036 -10.674 1.00 0.00 C ATOM 78 CD PRO A 343 59.918 3.069 -9.817 1.00 0.00 C ATOM 0 HA PRO A 343 61.776 1.311 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.133 2.412 -10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.977 1.100 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.571 4.034 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.918 2.670 -11.674 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.384 4.015 -9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.216 2.279 -10.085 1.00 0.00 H new ATOM 86 N ASP A 344 62.962 4.330 -8.064 1.00 0.00 N ATOM 87 CA ASP A 344 64.012 5.193 -7.495 1.00 0.00 C ATOM 88 C ASP A 344 63.990 5.232 -5.988 1.00 0.00 C ATOM 89 O ASP A 344 65.031 5.313 -5.335 1.00 0.00 O ATOM 90 CB ASP A 344 63.873 6.633 -8.029 1.00 0.00 C ATOM 91 CG ASP A 344 64.676 7.670 -7.222 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.912 7.544 -7.093 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.069 8.663 -6.734 1.00 0.00 O ATOM 0 H ASP A 344 62.324 4.814 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 344 64.962 4.758 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 344 64.202 6.660 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 344 62.820 6.915 -8.021 1.00 0.00 H new ATOM 98 N ILE A 345 62.830 5.101 -5.451 1.00 0.00 N ATOM 99 CA ILE A 345 62.636 5.399 -4.061 1.00 0.00 C ATOM 100 C ILE A 345 62.386 4.148 -3.229 1.00 0.00 C ATOM 101 O ILE A 345 62.572 4.146 -2.021 1.00 0.00 O ATOM 102 CB ILE A 345 61.465 6.434 -3.890 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.179 5.799 -3.389 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.204 7.183 -5.196 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.036 6.778 -3.232 1.00 0.00 C ATOM 0 H ILE A 345 61.994 4.790 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 345 63.559 5.841 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 345 61.793 7.140 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.879 5.013 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.371 5.321 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.390 7.893 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.105 7.720 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.931 6.471 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.153 6.251 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.315 7.551 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.816 7.238 -4.195 1.00 0.00 H new ATOM 117 N HIS A 346 61.995 3.093 -3.866 1.00 0.00 N ATOM 118 CA HIS A 346 61.592 1.931 -3.140 1.00 0.00 C ATOM 119 C HIS A 346 62.436 0.690 -3.312 1.00 0.00 C ATOM 120 O HIS A 346 63.390 0.632 -4.063 1.00 0.00 O ATOM 121 CB HIS A 346 60.117 1.628 -3.325 1.00 0.00 C ATOM 122 CG HIS A 346 59.225 2.507 -2.507 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.146 3.148 -3.043 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.275 2.762 -1.187 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.561 3.774 -2.029 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.210 3.569 -0.894 1.00 0.00 N ATOM 0 H HIS A 346 61.946 3.010 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 346 61.775 2.220 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.859 1.740 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.931 0.587 -3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 346 60.016 2.398 -0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.668 4.375 -2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.963 3.941 0.023 1.00 0.00 H new ATOM 134 N CYS A 347 62.026 -0.299 -2.546 1.00 0.00 N ATOM 135 CA CYS A 347 62.672 -1.603 -2.389 1.00 0.00 C ATOM 136 C CYS A 347 62.914 -2.367 -3.701 1.00 0.00 C ATOM 137 O CYS A 347 63.934 -2.983 -3.834 1.00 0.00 O ATOM 138 CB CYS A 347 61.835 -2.429 -1.386 1.00 0.00 C ATOM 139 SG CYS A 347 62.434 -4.117 -0.888 1.00 0.00 S ATOM 0 H CYS A 347 61.182 -0.218 -1.978 1.00 0.00 H new ATOM 0 HA CYS A 347 63.679 -1.432 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.730 -1.836 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.837 -2.545 -1.808 1.00 0.00 H new ATOM 0 HG CYS A 347 61.731 -4.548 0.117 1.00 0.00 H new ATOM 144 N GLY A 348 61.936 -2.449 -4.569 1.00 0.00 N ATOM 145 CA GLY A 348 62.175 -3.098 -5.870 1.00 0.00 C ATOM 146 C GLY A 348 62.365 -4.602 -5.795 1.00 0.00 C ATOM 147 O GLY A 348 62.629 -5.245 -6.799 1.00 0.00 O ATOM 0 H GLY A 348 60.991 -2.093 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.334 -2.883 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 348 63.060 -2.655 -6.326 1.00 0.00 H new ATOM 151 N VAL A 349 62.197 -5.169 -4.614 1.00 0.00 N ATOM 152 CA VAL A 349 62.354 -6.598 -4.465 1.00 0.00 C ATOM 153 C VAL A 349 61.049 -7.155 -4.685 1.00 0.00 C ATOM 154 O VAL A 349 60.131 -6.914 -3.899 1.00 0.00 O ATOM 155 CB VAL A 349 62.879 -7.083 -3.076 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.108 -8.596 -3.082 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.140 -6.375 -2.645 1.00 0.00 C ATOM 0 H VAL A 349 61.956 -4.669 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 349 63.116 -6.923 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 349 62.104 -6.833 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.474 -8.913 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.169 -9.105 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.844 -8.849 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.456 -6.754 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.927 -6.554 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.949 -5.304 -2.572 1.00 0.00 H new ATOM 167 N ILE A 350 60.936 -7.800 -5.757 1.00 0.00 N ATOM 168 CA ILE A 350 59.734 -8.417 -6.110 1.00 0.00 C ATOM 169 C ILE A 350 59.424 -9.524 -5.144 1.00 0.00 C ATOM 170 O ILE A 350 60.271 -10.376 -4.845 1.00 0.00 O ATOM 171 CB ILE A 350 59.741 -8.853 -7.569 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.884 -7.573 -8.408 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.497 -9.647 -7.907 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.607 -7.713 -9.875 1.00 0.00 C ATOM 0 H ILE A 350 61.689 -7.921 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 350 58.919 -7.697 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 350 60.571 -9.526 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 350 59.210 -6.819 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.898 -7.193 -8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.529 -9.945 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.451 -10.536 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.614 -9.032 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.739 -6.748 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 350 60.298 -8.437 -10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.583 -8.057 -10.021 1.00 0.00 H new ATOM 186 N ASP A 351 58.244 -9.463 -4.627 1.00 0.00 N ATOM 187 CA ASP A 351 57.830 -10.338 -3.567 1.00 0.00 C ATOM 188 C ASP A 351 57.374 -11.601 -4.153 1.00 0.00 C ATOM 189 O ASP A 351 56.595 -11.576 -5.008 1.00 0.00 O ATOM 190 CB ASP A 351 56.685 -9.698 -2.821 1.00 0.00 C ATOM 191 CG ASP A 351 56.213 -10.510 -1.671 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.999 -10.796 -0.773 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.037 -10.861 -1.651 1.00 0.00 O ATOM 0 H ASP A 351 57.528 -8.801 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 351 58.659 -10.520 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.996 -8.717 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.855 -9.537 -3.509 1.00 0.00 H new ATOM 198 N LEU A 352 57.872 -12.692 -3.699 1.00 0.00 N ATOM 199 CA LEU A 352 57.491 -14.000 -4.220 1.00 0.00 C ATOM 200 C LEU A 352 56.153 -14.482 -3.668 1.00 0.00 C ATOM 201 O LEU A 352 55.637 -15.514 -4.105 1.00 0.00 O ATOM 202 CB LEU A 352 58.614 -14.979 -3.937 1.00 0.00 C ATOM 203 CG LEU A 352 59.761 -15.090 -4.970 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.364 -15.994 -6.117 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.169 -13.736 -5.540 1.00 0.00 C ATOM 0 H LEU A 352 58.563 -12.728 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 352 57.343 -13.923 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.055 -14.712 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.172 -15.969 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 352 60.612 -15.509 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.185 -16.058 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.138 -16.989 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.483 -15.587 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.977 -13.872 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.314 -13.278 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.508 -13.088 -4.732 1.00 0.00 H new ATOM 217 N ASP A 353 55.582 -13.749 -2.739 1.00 0.00 N ATOM 218 CA ASP A 353 54.295 -14.095 -2.209 1.00 0.00 C ATOM 219 C ASP A 353 53.197 -13.407 -3.007 1.00 0.00 C ATOM 220 O ASP A 353 52.273 -14.055 -3.497 1.00 0.00 O ATOM 221 CB ASP A 353 54.201 -13.752 -0.726 1.00 0.00 C ATOM 222 CG ASP A 353 55.082 -14.623 0.142 1.00 0.00 C ATOM 223 OD1 ASP A 353 54.687 -15.777 0.452 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.178 -14.192 0.534 1.00 0.00 O ATOM 0 H ASP A 353 55.995 -12.907 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 353 54.161 -15.173 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.479 -12.708 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.166 -13.854 -0.401 1.00 0.00 H new ATOM 229 N THR A 354 53.303 -12.112 -3.157 1.00 0.00 N ATOM 230 CA THR A 354 52.344 -11.357 -3.937 1.00 0.00 C ATOM 231 C THR A 354 52.731 -11.325 -5.404 1.00 0.00 C ATOM 232 O THR A 354 51.881 -11.423 -6.292 1.00 0.00 O ATOM 233 CB THR A 354 52.188 -9.930 -3.379 1.00 0.00 C ATOM 234 OG1 THR A 354 53.480 -9.327 -3.236 1.00 0.00 O ATOM 235 CG2 THR A 354 51.500 -9.959 -2.029 1.00 0.00 C ATOM 0 H THR A 354 54.049 -11.550 -2.747 1.00 0.00 H new ATOM 0 HA THR A 354 51.380 -11.861 -3.859 1.00 0.00 H new ATOM 0 HB THR A 354 51.581 -9.350 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.929 -9.698 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.399 -8.942 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.512 -10.407 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.094 -10.549 -1.331 1.00 0.00 H new ATOM 243 N LYS A 355 54.012 -11.246 -5.635 1.00 0.00 N ATOM 244 CA LYS A 355 54.598 -11.181 -6.949 1.00 0.00 C ATOM 245 C LYS A 355 54.373 -9.920 -7.674 1.00 0.00 C ATOM 246 O LYS A 355 53.776 -9.845 -8.754 1.00 0.00 O ATOM 247 CB LYS A 355 54.628 -12.477 -7.741 1.00 0.00 C ATOM 248 CG LYS A 355 55.614 -13.377 -7.047 1.00 0.00 C ATOM 249 CD LYS A 355 55.954 -14.680 -7.672 1.00 0.00 C ATOM 250 CE LYS A 355 56.673 -14.578 -9.021 1.00 0.00 C ATOM 251 NZ LYS A 355 55.793 -14.226 -10.156 1.00 0.00 N ATOM 0 H LYS A 355 54.704 -11.224 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 355 55.666 -11.099 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.640 -12.935 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.928 -12.295 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 355 56.541 -12.818 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 355 55.229 -13.580 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.583 -15.244 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 355 55.036 -15.252 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 355 57.462 -13.830 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.157 -15.531 -9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 55.998 -14.852 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 54.799 -14.340 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.962 -13.238 -10.433 1.00 0.00 H new ATOM 265 N LYS A 356 54.752 -8.914 -6.966 1.00 0.00 N ATOM 266 CA LYS A 356 54.755 -7.558 -7.363 1.00 0.00 C ATOM 267 C LYS A 356 56.019 -6.978 -6.787 1.00 0.00 C ATOM 268 O LYS A 356 56.659 -7.641 -5.957 1.00 0.00 O ATOM 269 CB LYS A 356 53.543 -6.890 -6.744 1.00 0.00 C ATOM 270 CG LYS A 356 53.598 -6.789 -5.237 1.00 0.00 C ATOM 271 CD LYS A 356 52.456 -5.984 -4.710 1.00 0.00 C ATOM 272 CE LYS A 356 52.599 -5.784 -3.214 1.00 0.00 C ATOM 273 NZ LYS A 356 51.538 -4.920 -2.649 1.00 0.00 N ATOM 0 H LYS A 356 55.096 -9.035 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 356 54.717 -7.423 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.441 -5.888 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.650 -7.446 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.574 -7.788 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.540 -6.331 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.422 -5.017 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.515 -6.489 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 356 52.574 -6.754 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 356 53.573 -5.342 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 51.683 -4.817 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 51.576 -3.984 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 50.608 -5.352 -2.825 1.00 0.00 H new ATOM 287 N PRO A 357 56.433 -5.784 -7.189 1.00 0.00 N ATOM 288 CA PRO A 357 57.577 -5.188 -6.610 1.00 0.00 C ATOM 289 C PRO A 357 57.304 -4.674 -5.255 1.00 0.00 C ATOM 290 O PRO A 357 56.212 -4.809 -4.704 1.00 0.00 O ATOM 291 CB PRO A 357 57.977 -4.078 -7.518 1.00 0.00 C ATOM 292 CG PRO A 357 56.860 -3.855 -8.472 1.00 0.00 C ATOM 293 CD PRO A 357 55.821 -4.937 -8.214 1.00 0.00 C ATOM 0 HA PRO A 357 58.372 -5.925 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 357 58.181 -3.171 -6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.893 -4.331 -8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.427 -2.865 -8.331 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.218 -3.903 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.879 -4.511 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.602 -5.503 -9.119 1.00 0.00 H new ATOM 301 N CYS A 358 58.255 -4.025 -4.724 1.00 0.00 N ATOM 302 CA CYS A 358 58.163 -3.724 -3.430 1.00 0.00 C ATOM 303 C CYS A 358 58.354 -2.314 -3.201 1.00 0.00 C ATOM 304 O CYS A 358 59.468 -1.801 -3.253 1.00 0.00 O ATOM 305 CB CYS A 358 59.122 -4.477 -2.714 1.00 0.00 C ATOM 306 SG CYS A 358 58.835 -4.398 -0.992 1.00 0.00 S ATOM 0 H CYS A 358 59.098 -3.706 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 358 57.161 -3.974 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.091 -5.516 -3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.121 -4.102 -2.936 1.00 0.00 H new ATOM 0 HG CYS A 358 58.834 -5.600 -0.497 1.00 0.00 H new ATOM 311 N THR A 359 57.311 -1.712 -2.955 1.00 0.00 N ATOM 312 CA THR A 359 57.271 -0.321 -2.709 1.00 0.00 C ATOM 313 C THR A 359 56.901 -0.025 -1.236 1.00 0.00 C ATOM 314 O THR A 359 56.169 0.880 -0.900 1.00 0.00 O ATOM 315 CB THR A 359 56.446 0.401 -3.860 1.00 0.00 C ATOM 316 OG1 THR A 359 55.931 1.680 -3.555 1.00 0.00 O ATOM 317 CG2 THR A 359 55.383 -0.495 -4.488 1.00 0.00 C ATOM 0 H THR A 359 56.399 -2.166 -2.909 1.00 0.00 H new ATOM 0 HA THR A 359 58.257 0.137 -2.782 1.00 0.00 H new ATOM 0 HB THR A 359 57.215 0.593 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.612 2.360 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.855 0.057 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.859 -1.373 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.674 -0.810 -3.722 1.00 0.00 H new ATOM 325 N ARG A 360 57.533 -0.807 -0.357 1.00 0.00 N ATOM 326 CA ARG A 360 57.368 -0.643 1.079 1.00 0.00 C ATOM 327 C ARG A 360 58.135 0.543 1.564 1.00 0.00 C ATOM 328 O ARG A 360 57.576 1.568 1.931 1.00 0.00 O ATOM 329 CB ARG A 360 57.822 -1.892 1.811 1.00 0.00 C ATOM 330 CG ARG A 360 56.849 -3.012 1.623 1.00 0.00 C ATOM 331 CD ARG A 360 56.672 -3.851 2.842 1.00 0.00 C ATOM 332 NE ARG A 360 55.750 -4.972 2.581 1.00 0.00 N ATOM 333 CZ ARG A 360 55.358 -5.889 3.484 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.610 -5.708 4.777 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.682 -6.957 3.085 1.00 0.00 N ATOM 0 H ARG A 360 58.165 -1.562 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 360 56.310 -0.481 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.804 -2.194 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.930 -1.675 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.883 -2.600 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.187 -3.644 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.638 -4.238 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.285 -3.239 3.656 1.00 0.00 H new ATOM 0 HE ARG A 360 55.378 -5.060 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.103 -4.871 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.311 -6.406 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.461 -7.081 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.383 -7.655 3.766 1.00 0.00 H new ATOM 349 N SER A 361 59.413 0.405 1.525 1.00 0.00 N ATOM 350 CA SER A 361 60.297 1.425 1.921 1.00 0.00 C ATOM 351 C SER A 361 61.646 1.084 1.433 1.00 0.00 C ATOM 352 O SER A 361 61.864 -0.022 0.842 1.00 0.00 O ATOM 353 CB SER A 361 60.310 1.575 3.439 1.00 0.00 C ATOM 354 OG SER A 361 60.620 0.334 4.050 1.00 0.00 O ATOM 0 H SER A 361 59.878 -0.446 1.207 1.00 0.00 H new ATOM 0 HA SER A 361 59.971 2.375 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.044 2.326 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.338 1.927 3.786 1.00 0.00 H new ATOM 0 HG SER A 361 60.627 0.442 5.024 1.00 0.00 H new ATOM 360 N LEU A 362 62.544 1.958 1.727 1.00 0.00 N ATOM 361 CA LEU A 362 63.910 1.856 1.369 1.00 0.00 C ATOM 362 C LEU A 362 64.592 0.876 2.318 1.00 0.00 C ATOM 363 O LEU A 362 65.671 0.409 2.065 1.00 0.00 O ATOM 364 CB LEU A 362 64.572 3.251 1.489 1.00 0.00 C ATOM 365 CG LEU A 362 63.978 4.423 0.638 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.638 4.933 1.166 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.952 5.583 0.488 1.00 0.00 C ATOM 0 H LEU A 362 62.331 2.807 2.251 1.00 0.00 H new ATOM 0 HA LEU A 362 64.007 1.500 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.536 3.548 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.624 3.145 1.223 1.00 0.00 H new ATOM 0 HG LEU A 362 63.801 3.991 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.282 5.744 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.911 4.121 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.764 5.298 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.492 6.369 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.204 5.977 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.859 5.235 -0.006 1.00 0.00 H new ATOM 379 N THR A 363 63.896 0.536 3.386 1.00 0.00 N ATOM 380 CA THR A 363 64.447 -0.305 4.433 1.00 0.00 C ATOM 381 C THR A 363 63.472 -1.461 4.732 1.00 0.00 C ATOM 382 O THR A 363 63.492 -2.047 5.821 1.00 0.00 O ATOM 383 CB THR A 363 64.672 0.567 5.684 1.00 0.00 C ATOM 384 OG1 THR A 363 65.354 -0.137 6.724 1.00 0.00 O ATOM 385 CG2 THR A 363 63.354 1.101 6.194 1.00 0.00 C ATOM 0 H THR A 363 62.935 0.834 3.553 1.00 0.00 H new ATOM 0 HA THR A 363 65.397 -0.739 4.121 1.00 0.00 H new ATOM 0 HB THR A 363 65.310 1.398 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.970 -1.034 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.528 1.715 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.882 1.705 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.700 0.268 6.454 1.00 0.00 H new ATOM 393 N CYS A 364 62.669 -1.786 3.697 1.00 0.00 N ATOM 394 CA CYS A 364 61.648 -2.851 3.684 1.00 0.00 C ATOM 395 C CYS A 364 61.879 -3.965 4.722 1.00 0.00 C ATOM 396 O CYS A 364 62.915 -4.641 4.702 1.00 0.00 O ATOM 397 CB CYS A 364 61.704 -3.480 2.359 1.00 0.00 C ATOM 398 SG CYS A 364 60.676 -4.912 2.203 1.00 0.00 S ATOM 0 H CYS A 364 62.718 -1.289 2.807 1.00 0.00 H new ATOM 0 HA CYS A 364 60.692 -2.384 3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.408 -2.748 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.735 -3.759 2.143 1.00 0.00 H new ATOM 0 HG CYS A 364 59.997 -4.840 1.097 1.00 0.00 H new ATOM 403 N LYS A 365 60.874 -4.200 5.517 1.00 0.00 N ATOM 404 CA LYS A 365 60.889 -5.068 6.656 1.00 0.00 C ATOM 405 C LYS A 365 60.638 -6.527 6.287 1.00 0.00 C ATOM 406 O LYS A 365 60.801 -7.431 7.101 1.00 0.00 O ATOM 407 CB LYS A 365 59.814 -4.494 7.573 1.00 0.00 C ATOM 408 CG LYS A 365 59.421 -5.280 8.779 1.00 0.00 C ATOM 409 CD LYS A 365 58.483 -4.462 9.674 1.00 0.00 C ATOM 410 CE LYS A 365 57.330 -3.818 8.884 1.00 0.00 C ATOM 411 NZ LYS A 365 56.440 -3.019 9.747 1.00 0.00 N ATOM 0 H LYS A 365 59.964 -3.761 5.376 1.00 0.00 H new ATOM 0 HA LYS A 365 61.865 -5.097 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.153 -3.514 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.918 -4.333 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 365 58.928 -6.203 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.311 -5.565 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.072 -5.107 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.054 -3.682 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.740 -3.181 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 365 56.750 -4.598 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 55.679 -2.605 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 56.027 -3.630 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.986 -2.258 10.199 1.00 0.00 H new ATOM 425 N THR A 366 60.290 -6.752 5.073 1.00 0.00 N ATOM 426 CA THR A 366 59.963 -8.069 4.633 1.00 0.00 C ATOM 427 C THR A 366 61.197 -8.758 4.101 1.00 0.00 C ATOM 428 O THR A 366 61.482 -9.923 4.377 1.00 0.00 O ATOM 429 CB THR A 366 59.084 -7.927 3.444 1.00 0.00 C ATOM 430 OG1 THR A 366 58.103 -6.938 3.675 1.00 0.00 O ATOM 431 CG2 THR A 366 58.472 -9.240 2.989 1.00 0.00 C ATOM 0 H THR A 366 60.222 -6.033 4.353 1.00 0.00 H new ATOM 0 HA THR A 366 59.517 -8.621 5.461 1.00 0.00 H new ATOM 0 HB THR A 366 59.715 -7.603 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.977 -6.406 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.842 -9.065 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.266 -9.940 2.728 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.869 -9.659 3.795 1.00 0.00 H new ATOM 439 N HIS A 367 61.918 -7.987 3.349 1.00 0.00 N ATOM 440 CA HIS A 367 62.968 -8.470 2.522 1.00 0.00 C ATOM 441 C HIS A 367 64.266 -8.181 3.144 1.00 0.00 C ATOM 442 O HIS A 367 64.465 -7.085 3.649 1.00 0.00 O ATOM 443 CB HIS A 367 62.867 -7.817 1.123 1.00 0.00 C ATOM 444 CG HIS A 367 61.691 -8.287 0.286 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.887 -7.404 -0.431 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.272 -9.553 0.053 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.010 -8.189 -1.081 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.217 -9.481 -0.808 1.00 0.00 N ATOM 0 H HIS A 367 61.785 -6.977 3.295 1.00 0.00 H new ATOM 0 HA HIS A 367 62.878 -9.550 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.799 -6.736 1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.788 -8.018 0.576 1.00 0.00 H new ATOM 0 HD1 HIS A 367 60.950 -6.386 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.695 -10.454 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.237 -7.822 -1.740 1.00 0.00 H new ATOM 456 N SER A 368 65.133 -9.133 3.102 1.00 0.00 N ATOM 457 CA SER A 368 66.411 -8.999 3.693 1.00 0.00 C ATOM 458 C SER A 368 67.343 -8.109 2.942 1.00 0.00 C ATOM 459 O SER A 368 67.228 -7.945 1.728 1.00 0.00 O ATOM 460 CB SER A 368 66.998 -10.334 4.050 1.00 0.00 C ATOM 461 OG SER A 368 66.817 -11.281 3.019 1.00 0.00 O ATOM 0 H SER A 368 64.969 -10.033 2.651 1.00 0.00 H new ATOM 0 HA SER A 368 66.257 -8.467 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.062 -10.219 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.535 -10.701 4.966 1.00 0.00 H new ATOM 0 HG SER A 368 67.213 -12.136 3.287 1.00 0.00 H new ATOM 467 N LEU A 369 68.251 -7.519 3.695 1.00 0.00 N ATOM 468 CA LEU A 369 69.221 -6.556 3.244 1.00 0.00 C ATOM 469 C LEU A 369 69.904 -6.972 1.971 1.00 0.00 C ATOM 470 O LEU A 369 69.964 -6.179 1.010 1.00 0.00 O ATOM 471 CB LEU A 369 70.209 -6.280 4.399 1.00 0.00 C ATOM 472 CG LEU A 369 71.403 -5.323 4.162 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.551 -6.046 3.488 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.990 -4.163 3.288 1.00 0.00 C ATOM 0 H LEU A 369 68.331 -7.714 4.693 1.00 0.00 H new ATOM 0 HA LEU A 369 68.713 -5.627 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.633 -5.884 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.616 -7.239 4.718 1.00 0.00 H new ATOM 0 HG LEU A 369 71.724 -4.957 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.377 -5.352 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.883 -6.870 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.220 -6.437 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.843 -3.502 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.643 -4.538 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.186 -3.610 3.773 1.00 0.00 H new ATOM 486 N THR A 370 70.343 -8.201 1.914 1.00 0.00 N ATOM 487 CA THR A 370 71.064 -8.657 0.748 1.00 0.00 C ATOM 488 C THR A 370 70.163 -8.640 -0.487 1.00 0.00 C ATOM 489 O THR A 370 70.605 -8.355 -1.583 1.00 0.00 O ATOM 490 CB THR A 370 71.707 -10.044 0.949 1.00 0.00 C ATOM 491 OG1 THR A 370 72.623 -9.985 2.071 1.00 0.00 O ATOM 492 CG2 THR A 370 72.475 -10.447 -0.297 1.00 0.00 C ATOM 0 H THR A 370 70.219 -8.898 2.648 1.00 0.00 H new ATOM 0 HA THR A 370 71.884 -7.957 0.590 1.00 0.00 H new ATOM 0 HB THR A 370 70.924 -10.777 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 370 73.034 -10.865 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.926 -11.428 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.794 -10.488 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.258 -9.715 -0.495 1.00 0.00 H new ATOM 500 N GLN A 371 68.885 -8.834 -0.270 1.00 0.00 N ATOM 501 CA GLN A 371 67.945 -8.928 -1.367 1.00 0.00 C ATOM 502 C GLN A 371 67.714 -7.567 -1.961 1.00 0.00 C ATOM 503 O GLN A 371 67.485 -7.437 -3.148 1.00 0.00 O ATOM 504 CB GLN A 371 66.625 -9.492 -0.917 1.00 0.00 C ATOM 505 CG GLN A 371 66.762 -10.637 0.040 1.00 0.00 C ATOM 506 CD GLN A 371 65.517 -11.449 0.147 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.562 -12.656 0.380 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.393 -10.796 0.017 1.00 0.00 N ATOM 0 H GLN A 371 68.469 -8.930 0.656 1.00 0.00 H new ATOM 0 HA GLN A 371 68.375 -9.598 -2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.043 -8.701 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.063 -9.823 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.583 -11.278 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.026 -10.252 1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.404 -9.795 -0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.504 -11.288 0.109 1.00 0.00 H new ATOM 517 N ARG A 372 67.785 -6.542 -1.124 1.00 0.00 N ATOM 518 CA ARG A 372 67.606 -5.203 -1.626 1.00 0.00 C ATOM 519 C ARG A 372 68.835 -4.787 -2.406 1.00 0.00 C ATOM 520 O ARG A 372 68.723 -4.124 -3.420 1.00 0.00 O ATOM 521 CB ARG A 372 67.334 -4.151 -0.560 1.00 0.00 C ATOM 522 CG ARG A 372 66.061 -4.286 0.255 1.00 0.00 C ATOM 523 CD ARG A 372 66.243 -5.253 1.369 1.00 0.00 C ATOM 524 NE ARG A 372 65.653 -4.800 2.590 1.00 0.00 N ATOM 525 CZ ARG A 372 66.312 -4.212 3.610 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.544 -3.762 3.447 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.711 -4.059 4.779 1.00 0.00 N ATOM 0 H ARG A 372 67.961 -6.615 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 372 66.716 -5.246 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.176 -4.149 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.319 -3.176 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.776 -3.313 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.246 -4.616 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.803 -6.210 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.308 -5.425 1.526 1.00 0.00 H new ATOM 0 HE ARG A 372 64.648 -4.933 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.006 -3.857 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.032 -3.319 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.753 -4.385 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.206 -3.615 5.553 1.00 0.00 H new ATOM 541 N ARG A 373 70.024 -5.175 -1.903 1.00 0.00 N ATOM 542 CA ARG A 373 71.279 -4.901 -2.621 1.00 0.00 C ATOM 543 C ARG A 373 71.312 -5.664 -3.932 1.00 0.00 C ATOM 544 O ARG A 373 71.875 -5.202 -4.929 1.00 0.00 O ATOM 545 CB ARG A 373 72.483 -5.309 -1.786 1.00 0.00 C ATOM 546 CG ARG A 373 72.788 -4.385 -0.645 1.00 0.00 C ATOM 547 CD ARG A 373 73.981 -4.877 0.129 1.00 0.00 C ATOM 548 NE ARG A 373 74.490 -3.861 1.035 1.00 0.00 N ATOM 549 CZ ARG A 373 75.276 -4.077 2.084 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.636 -5.316 2.422 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.690 -3.055 2.801 1.00 0.00 N ATOM 0 H ARG A 373 70.139 -5.670 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 373 71.323 -3.829 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.313 -6.311 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.357 -5.366 -2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.982 -3.382 -1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.923 -4.315 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.705 -5.766 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.768 -5.173 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 373 74.219 -2.895 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.307 -6.110 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.240 -5.469 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.407 -2.108 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.294 -3.210 3.608 1.00 0.00 H new ATOM 565 N ALA A 374 70.746 -6.847 -3.892 1.00 0.00 N ATOM 566 CA ALA A 374 70.634 -7.705 -5.055 1.00 0.00 C ATOM 567 C ALA A 374 69.808 -7.064 -6.168 1.00 0.00 C ATOM 568 O ALA A 374 70.280 -6.932 -7.307 1.00 0.00 O ATOM 569 CB ALA A 374 70.021 -9.041 -4.671 1.00 0.00 C ATOM 0 H ALA A 374 70.345 -7.248 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 374 71.644 -7.859 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.944 -9.674 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.651 -9.531 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.027 -8.879 -4.253 1.00 0.00 H new ATOM 575 N VAL A 375 68.595 -6.660 -5.846 1.00 0.00 N ATOM 576 CA VAL A 375 67.689 -6.151 -6.789 1.00 0.00 C ATOM 577 C VAL A 375 68.021 -4.807 -7.310 1.00 0.00 C ATOM 578 O VAL A 375 68.725 -3.992 -6.688 1.00 0.00 O ATOM 579 CB VAL A 375 66.263 -6.116 -6.300 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.746 -7.486 -5.950 1.00 0.00 C ATOM 581 CG2 VAL A 375 66.083 -5.107 -5.190 1.00 0.00 C ATOM 0 H VAL A 375 68.229 -6.688 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 375 67.784 -6.870 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 375 65.641 -5.774 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.716 -7.408 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 375 65.785 -8.126 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.363 -7.917 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 375 65.044 -5.109 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 375 66.729 -5.369 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 375 66.347 -4.114 -5.554 1.00 0.00 H new ATOM 591 N GLN A 376 67.551 -4.629 -8.476 1.00 0.00 N ATOM 592 CA GLN A 376 67.531 -3.393 -9.138 1.00 0.00 C ATOM 593 C GLN A 376 66.366 -2.545 -8.546 1.00 0.00 C ATOM 594 O GLN A 376 65.871 -2.803 -7.443 1.00 0.00 O ATOM 595 CB GLN A 376 67.279 -3.676 -10.619 1.00 0.00 C ATOM 596 CG GLN A 376 66.022 -4.512 -10.873 1.00 0.00 C ATOM 597 CD GLN A 376 65.735 -4.738 -12.335 1.00 0.00 C ATOM 598 OE1 GLN A 376 66.643 -4.799 -13.159 1.00 0.00 O ATOM 599 NE2 GLN A 376 64.485 -4.852 -12.668 1.00 0.00 N ATOM 0 H GLN A 376 67.146 -5.386 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 376 68.467 -2.849 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 376 67.191 -2.729 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 376 68.142 -4.196 -11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 376 66.132 -5.477 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 376 65.166 -4.015 -10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 376 63.760 -4.796 -11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 376 64.229 -4.998 -13.644 1.00 0.00 H new ATOM 608 N GLY A 377 65.967 -1.576 -9.266 1.00 0.00 N ATOM 609 CA GLY A 377 64.883 -0.719 -8.885 1.00 0.00 C ATOM 610 C GLY A 377 65.316 0.694 -8.824 1.00 0.00 C ATOM 611 O GLY A 377 65.007 1.486 -9.706 1.00 0.00 O ATOM 0 H GLY A 377 66.386 -1.336 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.066 -0.822 -9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.497 -1.026 -7.913 1.00 0.00 H new ATOM 615 N ARG A 378 66.086 0.993 -7.832 1.00 0.00 N ATOM 616 CA ARG A 378 66.526 2.338 -7.559 1.00 0.00 C ATOM 617 C ARG A 378 67.486 2.768 -8.636 1.00 0.00 C ATOM 618 O ARG A 378 68.114 1.937 -9.288 1.00 0.00 O ATOM 619 CB ARG A 378 67.244 2.360 -6.241 1.00 0.00 C ATOM 620 CG ARG A 378 66.526 1.646 -5.111 1.00 0.00 C ATOM 621 CD ARG A 378 67.551 1.063 -4.215 1.00 0.00 C ATOM 622 NE ARG A 378 66.953 0.032 -3.454 1.00 0.00 N ATOM 623 CZ ARG A 378 66.791 -1.202 -3.928 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.070 -1.473 -5.208 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.365 -2.146 -3.143 1.00 0.00 N ATOM 0 H ARG A 378 66.439 0.302 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 378 65.667 3.009 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.227 1.907 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.408 3.398 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.891 2.342 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.876 0.865 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.383 0.668 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.959 1.831 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 378 66.634 0.241 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.408 -0.733 -5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 378 66.945 -2.419 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.155 -1.941 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.240 -3.092 -3.504 1.00 0.00 H new ATOM 639 N ARG A 379 67.643 4.045 -8.792 1.00 0.00 N ATOM 640 CA ARG A 379 68.511 4.554 -9.844 1.00 0.00 C ATOM 641 C ARG A 379 69.936 4.653 -9.350 1.00 0.00 C ATOM 642 O ARG A 379 70.842 5.057 -10.077 1.00 0.00 O ATOM 643 CB ARG A 379 68.016 5.900 -10.357 1.00 0.00 C ATOM 644 CG ARG A 379 67.965 6.980 -9.326 1.00 0.00 C ATOM 645 CD ARG A 379 67.231 8.181 -9.845 1.00 0.00 C ATOM 646 NE ARG A 379 67.934 8.842 -10.949 1.00 0.00 N ATOM 647 CZ ARG A 379 67.896 10.157 -11.225 1.00 0.00 C ATOM 648 NH1 ARG A 379 67.222 10.998 -10.439 1.00 0.00 N ATOM 649 NH2 ARG A 379 68.552 10.624 -12.283 1.00 0.00 N ATOM 0 H ARG A 379 67.194 4.759 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 379 68.486 3.852 -10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.664 6.224 -11.171 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.018 5.769 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.472 6.608 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.978 7.263 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.239 7.878 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 379 67.088 8.893 -9.032 1.00 0.00 H new ATOM 0 HE ARG A 379 68.500 8.254 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 379 66.729 10.645 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 379 67.200 11.994 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 379 69.079 9.986 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 379 68.528 11.621 -12.499 1.00 0.00 H new ATOM 663 N LYS A 380 70.122 4.326 -8.093 1.00 0.00 N ATOM 664 CA LYS A 380 71.375 4.371 -7.461 1.00 0.00 C ATOM 665 C LYS A 380 71.566 2.998 -6.835 1.00 0.00 C ATOM 666 O LYS A 380 70.680 2.136 -6.975 1.00 0.00 O ATOM 667 CB LYS A 380 71.257 5.405 -6.358 1.00 0.00 C ATOM 668 CG LYS A 380 70.583 6.685 -6.781 1.00 0.00 C ATOM 669 CD LYS A 380 69.611 7.132 -5.721 1.00 0.00 C ATOM 670 CE LYS A 380 68.850 8.368 -6.144 1.00 0.00 C ATOM 671 NZ LYS A 380 67.749 8.660 -5.217 1.00 0.00 N ATOM 0 H LYS A 380 69.367 4.014 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 380 72.198 4.617 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.700 4.972 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.255 5.639 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.330 7.460 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.060 6.535 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 380 68.908 6.327 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.150 7.336 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 380 69.529 9.220 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.454 8.227 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 67.646 9.690 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 66.865 8.259 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 67.955 8.238 -4.289 1.00 0.00 H new ATOM 685 N ARG A 381 72.670 2.788 -6.149 1.00 0.00 N ATOM 686 CA ARG A 381 72.871 1.540 -5.402 1.00 0.00 C ATOM 687 C ARG A 381 71.901 1.527 -4.263 1.00 0.00 C ATOM 688 O ARG A 381 71.343 2.560 -3.887 1.00 0.00 O ATOM 689 CB ARG A 381 74.280 1.444 -4.823 1.00 0.00 C ATOM 690 CG ARG A 381 75.350 1.728 -5.819 1.00 0.00 C ATOM 691 CD ARG A 381 76.728 1.636 -5.209 1.00 0.00 C ATOM 692 NE ARG A 381 77.777 2.009 -6.158 1.00 0.00 N ATOM 693 CZ ARG A 381 79.087 1.804 -5.975 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.538 1.258 -4.842 1.00 0.00 N ATOM 695 NH2 ARG A 381 79.951 2.172 -6.912 1.00 0.00 N ATOM 0 H ARG A 381 73.442 3.452 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 381 72.722 0.702 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.372 2.144 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.430 0.444 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.272 1.023 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.203 2.725 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.782 2.287 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.902 0.618 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 381 77.488 2.460 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.882 0.993 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.538 1.106 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.617 2.610 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 381 80.950 2.017 -6.774 1.00 0.00 H new ATOM 709 N PHE A 382 71.713 0.409 -3.702 1.00 0.00 N ATOM 710 CA PHE A 382 70.791 0.281 -2.627 1.00 0.00 C ATOM 711 C PHE A 382 71.264 0.998 -1.377 1.00 0.00 C ATOM 712 O PHE A 382 70.491 1.655 -0.720 1.00 0.00 O ATOM 713 CB PHE A 382 70.476 -1.173 -2.330 1.00 0.00 C ATOM 714 CG PHE A 382 69.740 -1.334 -1.034 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.478 -0.832 -0.900 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.332 -1.915 0.053 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.802 -0.906 0.274 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.664 -1.980 1.239 1.00 0.00 C ATOM 719 CZ PHE A 382 68.395 -1.476 1.344 1.00 0.00 C ATOM 0 H PHE A 382 72.188 -0.455 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 382 69.870 0.765 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.877 -1.587 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.403 -1.745 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.005 -0.364 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.329 -2.322 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.799 -0.513 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.137 -2.431 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.868 -1.535 2.285 1.00 0.00 H new ATOM 729 N ASP A 383 72.512 0.896 -1.094 1.00 0.00 N ATOM 730 CA ASP A 383 73.068 1.462 0.139 1.00 0.00 C ATOM 731 C ASP A 383 73.069 2.947 0.100 1.00 0.00 C ATOM 732 O ASP A 383 72.832 3.600 1.101 1.00 0.00 O ATOM 733 CB ASP A 383 74.469 1.005 0.377 1.00 0.00 C ATOM 734 CG ASP A 383 74.593 -0.418 0.864 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.332 -1.355 0.098 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.008 -0.627 2.012 1.00 0.00 O ATOM 0 H ASP A 383 73.195 0.426 -1.688 1.00 0.00 H new ATOM 0 HA ASP A 383 72.428 1.110 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.033 1.108 -0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.934 1.667 1.108 1.00 0.00 H new ATOM 741 N VAL A 384 73.323 3.484 -1.060 1.00 0.00 N ATOM 742 CA VAL A 384 73.372 4.908 -1.234 1.00 0.00 C ATOM 743 C VAL A 384 71.967 5.476 -1.132 1.00 0.00 C ATOM 744 O VAL A 384 71.744 6.594 -0.679 1.00 0.00 O ATOM 745 CB VAL A 384 74.016 5.266 -2.577 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.117 5.003 -3.752 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.615 6.656 -2.594 1.00 0.00 C ATOM 0 H VAL A 384 73.501 2.948 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 384 73.987 5.347 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 384 74.855 4.580 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.632 5.277 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.858 3.945 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.208 5.596 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.056 6.850 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 384 73.835 7.391 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.386 6.729 -1.827 1.00 0.00 H new ATOM 757 N LEU A 385 71.047 4.679 -1.578 1.00 0.00 N ATOM 758 CA LEU A 385 69.677 4.950 -1.532 1.00 0.00 C ATOM 759 C LEU A 385 69.198 4.844 -0.083 1.00 0.00 C ATOM 760 O LEU A 385 68.460 5.696 0.413 1.00 0.00 O ATOM 761 CB LEU A 385 68.998 3.922 -2.450 1.00 0.00 C ATOM 762 CG LEU A 385 67.539 4.058 -2.710 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.796 3.384 -1.587 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.197 5.529 -2.829 1.00 0.00 C ATOM 0 H LEU A 385 71.262 3.777 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 385 69.434 5.956 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.510 3.947 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.168 2.933 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 385 67.249 3.578 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.723 3.471 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.073 2.330 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.054 3.862 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.130 5.640 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.455 6.039 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.760 5.968 -3.652 1.00 0.00 H new ATOM 776 N LEU A 386 69.631 3.804 0.590 1.00 0.00 N ATOM 777 CA LEU A 386 69.272 3.593 1.974 1.00 0.00 C ATOM 778 C LEU A 386 69.875 4.705 2.819 1.00 0.00 C ATOM 779 O LEU A 386 69.333 5.059 3.841 1.00 0.00 O ATOM 780 CB LEU A 386 69.786 2.265 2.478 1.00 0.00 C ATOM 781 CG LEU A 386 68.816 1.339 3.262 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.595 0.269 3.999 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.894 2.088 4.221 1.00 0.00 C ATOM 0 H LEU A 386 70.238 3.084 0.198 1.00 0.00 H new ATOM 0 HA LEU A 386 68.185 3.595 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.155 1.705 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.644 2.465 3.120 1.00 0.00 H new ATOM 0 HG LEU A 386 68.165 0.876 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.904 -0.373 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.158 -0.329 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.284 0.739 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.246 1.377 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.493 2.627 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.284 2.796 3.660 1.00 0.00 H new ATOM 795 N ALA A 387 71.007 5.240 2.375 1.00 0.00 N ATOM 796 CA ALA A 387 71.668 6.354 3.042 1.00 0.00 C ATOM 797 C ALA A 387 70.732 7.547 3.094 1.00 0.00 C ATOM 798 O ALA A 387 70.687 8.269 4.082 1.00 0.00 O ATOM 799 CB ALA A 387 72.951 6.725 2.320 1.00 0.00 C ATOM 0 H ALA A 387 71.493 4.912 1.540 1.00 0.00 H new ATOM 0 HA ALA A 387 71.923 6.053 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.429 7.559 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.625 5.868 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.721 7.014 1.295 1.00 0.00 H new ATOM 805 N GLU A 388 69.960 7.720 2.035 1.00 0.00 N ATOM 806 CA GLU A 388 68.968 8.763 1.956 1.00 0.00 C ATOM 807 C GLU A 388 67.884 8.459 2.979 1.00 0.00 C ATOM 808 O GLU A 388 67.450 9.341 3.718 1.00 0.00 O ATOM 809 CB GLU A 388 68.371 8.785 0.554 1.00 0.00 C ATOM 810 CG GLU A 388 69.392 8.887 -0.561 1.00 0.00 C ATOM 811 CD GLU A 388 68.762 9.104 -1.914 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.061 10.123 -2.104 1.00 0.00 O ATOM 813 OE2 GLU A 388 68.983 8.305 -2.826 1.00 0.00 O ATOM 0 H GLU A 388 70.009 7.133 1.202 1.00 0.00 H new ATOM 0 HA GLU A 388 69.414 9.736 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 388 67.782 7.879 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.683 9.627 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.075 9.709 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.989 7.975 -0.585 1.00 0.00 H new ATOM 820 N HIS A 389 67.498 7.183 3.047 1.00 0.00 N ATOM 821 CA HIS A 389 66.528 6.728 4.015 1.00 0.00 C ATOM 822 C HIS A 389 67.003 6.964 5.399 1.00 0.00 C ATOM 823 O HIS A 389 66.280 7.437 6.170 1.00 0.00 O ATOM 824 CB HIS A 389 66.164 5.271 3.852 1.00 0.00 C ATOM 825 CG HIS A 389 65.191 4.807 4.862 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.944 5.314 5.014 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.386 3.985 5.872 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.430 4.822 6.104 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.289 4.003 6.634 1.00 0.00 N ATOM 0 H HIS A 389 67.852 6.450 2.433 1.00 0.00 H new ATOM 0 HA HIS A 389 65.629 7.315 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.750 5.114 2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.068 4.666 3.920 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.486 5.970 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.276 3.400 6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.453 5.055 6.501 1.00 0.00 H new ATOM 838 N LYS A 390 68.189 6.575 5.711 1.00 0.00 N ATOM 839 CA LYS A 390 68.722 6.784 7.024 1.00 0.00 C ATOM 840 C LYS A 390 68.921 8.234 7.325 1.00 0.00 C ATOM 841 O LYS A 390 68.888 8.642 8.433 1.00 0.00 O ATOM 842 CB LYS A 390 69.939 5.954 7.245 1.00 0.00 C ATOM 843 CG LYS A 390 69.685 4.512 6.838 1.00 0.00 C ATOM 844 CD LYS A 390 68.453 3.912 7.531 1.00 0.00 C ATOM 845 CE LYS A 390 68.798 3.421 8.901 1.00 0.00 C ATOM 846 NZ LYS A 390 69.873 2.393 8.885 1.00 0.00 N ATOM 0 H LYS A 390 68.823 6.102 5.067 1.00 0.00 H new ATOM 0 HA LYS A 390 67.983 6.442 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.771 6.359 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 390 70.228 5.995 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.550 4.461 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.562 3.911 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.666 4.663 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.059 3.089 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 390 69.115 4.263 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.907 3.002 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.743 1.742 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.829 1.859 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.800 2.858 8.964 1.00 0.00 H new ATOM 860 N ASN A 391 69.124 9.011 6.363 1.00 0.00 N ATOM 861 CA ASN A 391 69.197 10.413 6.647 1.00 0.00 C ATOM 862 C ASN A 391 67.805 10.968 7.071 1.00 0.00 C ATOM 863 O ASN A 391 67.705 11.934 7.831 1.00 0.00 O ATOM 864 CB ASN A 391 69.848 11.190 5.507 1.00 0.00 C ATOM 865 CG ASN A 391 71.342 11.329 5.659 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.824 12.267 6.275 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.084 10.406 5.112 1.00 0.00 N ATOM 0 H ASN A 391 69.244 8.740 5.387 1.00 0.00 H new ATOM 0 HA ASN A 391 69.856 10.557 7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.630 10.689 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.401 12.183 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.100 10.454 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.648 9.636 4.604 1.00 0.00 H new ATOM 874 N LYS A 392 66.763 10.312 6.600 1.00 0.00 N ATOM 875 CA LYS A 392 65.398 10.611 6.975 1.00 0.00 C ATOM 876 C LYS A 392 64.966 9.774 8.205 1.00 0.00 C ATOM 877 O LYS A 392 64.729 10.293 9.294 1.00 0.00 O ATOM 878 CB LYS A 392 64.495 10.253 5.807 1.00 0.00 C ATOM 879 CG LYS A 392 63.027 10.379 6.105 1.00 0.00 C ATOM 880 CD LYS A 392 62.596 11.816 6.270 1.00 0.00 C ATOM 881 CE LYS A 392 61.105 11.899 6.464 1.00 0.00 C ATOM 882 NZ LYS A 392 60.659 13.284 6.624 1.00 0.00 N ATOM 0 H LYS A 392 66.844 9.543 5.935 1.00 0.00 H new ATOM 0 HA LYS A 392 65.322 11.669 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.740 10.896 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.706 9.229 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.454 9.921 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.795 9.826 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.105 12.259 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.887 12.393 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 392 60.601 11.450 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 392 60.819 11.320 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 59.628 13.304 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.122 13.704 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.910 13.830 5.775 1.00 0.00 H new ATOM 896 N THR A 393 64.909 8.486 8.002 1.00 0.00 N ATOM 897 CA THR A 393 64.458 7.532 8.945 1.00 0.00 C ATOM 898 C THR A 393 65.574 6.505 9.260 1.00 0.00 C ATOM 899 O THR A 393 65.581 5.357 8.824 1.00 0.00 O ATOM 900 CB THR A 393 63.265 6.789 8.408 1.00 0.00 C ATOM 901 OG1 THR A 393 62.245 7.721 7.991 1.00 0.00 O ATOM 902 CG2 THR A 393 62.706 5.813 9.440 1.00 0.00 C ATOM 0 H THR A 393 65.195 8.063 7.119 1.00 0.00 H new ATOM 0 HA THR A 393 64.185 8.067 9.854 1.00 0.00 H new ATOM 0 HB THR A 393 63.590 6.209 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.474 7.227 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.845 5.293 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.474 5.087 9.707 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.399 6.361 10.331 1.00 0.00 H new ATOM 910 N ARG A 394 66.558 7.018 9.817 1.00 0.00 N ATOM 911 CA ARG A 394 67.666 6.277 10.424 1.00 0.00 C ATOM 912 C ARG A 394 67.233 5.429 11.620 1.00 0.00 C ATOM 913 O ARG A 394 68.009 4.628 12.120 1.00 0.00 O ATOM 914 CB ARG A 394 68.835 7.204 10.761 1.00 0.00 C ATOM 915 CG ARG A 394 68.604 8.246 11.800 1.00 0.00 C ATOM 916 CD ARG A 394 69.862 9.073 12.006 1.00 0.00 C ATOM 917 NE ARG A 394 70.346 9.645 10.730 1.00 0.00 N ATOM 918 CZ ARG A 394 70.967 10.821 10.577 1.00 0.00 C ATOM 919 NH1 ARG A 394 71.134 11.639 11.614 1.00 0.00 N ATOM 920 NH2 ARG A 394 71.415 11.171 9.379 1.00 0.00 N ATOM 0 H ARG A 394 66.671 8.029 9.895 1.00 0.00 H new ATOM 0 HA ARG A 394 68.017 5.567 9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.673 6.586 11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 394 69.143 7.705 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 394 67.780 8.893 11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.312 7.775 12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.659 9.877 12.713 1.00 0.00 H new ATOM 0 HD3 ARG A 394 70.641 8.450 12.446 1.00 0.00 H new ATOM 0 HE ARG A 394 70.192 9.091 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.787 11.372 12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.609 12.533 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 394 71.285 10.546 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 394 71.889 12.065 9.253 1.00 0.00 H new