USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 389 HIS : no HE2:sc= -6.6! C(o=-6.6!,f=-6.8!) USER MOD Set 1.2: A 393 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 346 HIS : no HD1:sc= -1.91 K(o=-1.8,f=-4.5) USER MOD Set 2.2: A 359 THR OG1 : rot 90:sc= 0.12! USER MOD Set 3.1: A 354 THR OG1 : rot -140:sc= -0.231 USER MOD Set 3.2: A 356 LYS NZ :NH3+ -178:sc= 0.0783 (180deg=-0.0697) USER MOD Single : A 355 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 -39:sc= 0.645 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= -1.68! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -3.93! K(o=-3.9!,f=-0.71) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.08) USER MOD Single : A 390 LYS NZ :NH3+ -173:sc= -1.66 (180deg=-1.79) USER MOD Single : A 391 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 392 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.172) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.588 1.665 -4.110 1.00 0.00 N ATOM 2 CA ARG A 339 50.601 1.834 -5.073 1.00 0.00 C ATOM 3 C ARG A 339 51.231 1.721 -6.331 1.00 0.00 C ATOM 4 O ARG A 339 50.971 0.838 -7.131 1.00 0.00 O ATOM 5 CB ARG A 339 50.084 3.220 -4.946 1.00 0.00 C ATOM 6 CG ARG A 339 49.120 3.449 -3.843 1.00 0.00 C ATOM 7 CD ARG A 339 49.046 4.930 -3.469 1.00 0.00 C ATOM 8 NE ARG A 339 49.215 5.826 -4.626 1.00 0.00 N ATOM 9 CZ ARG A 339 48.545 6.954 -4.851 1.00 0.00 C ATOM 10 NH1 ARG A 339 47.505 7.292 -4.108 1.00 0.00 N ATOM 11 NH2 ARG A 339 48.932 7.733 -5.836 1.00 0.00 N ATOM 0 HA ARG A 339 49.797 1.106 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 339 50.931 3.893 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 339 49.605 3.497 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.132 3.097 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 339 49.416 2.866 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 339 48.084 5.132 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 339 49.816 5.151 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 339 49.912 5.556 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 339 47.203 6.684 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 339 47.005 8.161 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 339 49.732 7.469 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 339 48.432 8.602 -6.025 1.00 0.00 H new ATOM 25 N GLU A 340 52.082 2.579 -6.480 1.00 0.00 N ATOM 26 CA GLU A 340 52.754 2.716 -7.603 1.00 0.00 C ATOM 27 C GLU A 340 54.188 2.517 -7.250 1.00 0.00 C ATOM 28 O GLU A 340 54.823 3.329 -6.598 1.00 0.00 O ATOM 29 CB GLU A 340 52.399 4.060 -8.194 1.00 0.00 C ATOM 30 CG GLU A 340 53.016 5.248 -7.507 1.00 0.00 C ATOM 31 CD GLU A 340 52.082 6.402 -7.407 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.267 6.437 -6.466 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.141 7.303 -8.271 1.00 0.00 O ATOM 0 H GLU A 340 52.339 3.251 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 340 52.513 1.991 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.701 4.069 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.315 4.172 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.337 4.958 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.909 5.555 -8.052 1.00 0.00 H new ATOM 40 N PHE A 341 54.554 1.311 -7.408 1.00 0.00 N ATOM 41 CA PHE A 341 55.977 0.917 -7.337 1.00 0.00 C ATOM 42 C PHE A 341 56.869 2.011 -7.888 1.00 0.00 C ATOM 43 O PHE A 341 56.764 2.418 -9.061 1.00 0.00 O ATOM 44 CB PHE A 341 56.304 -0.389 -8.102 1.00 0.00 C ATOM 45 CG PHE A 341 57.776 -0.619 -8.183 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.507 -0.775 -7.036 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.428 -0.652 -9.402 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.837 -0.961 -7.082 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.779 -0.846 -9.459 1.00 0.00 C ATOM 50 CZ PHE A 341 60.490 -0.999 -8.298 1.00 0.00 C ATOM 0 H PHE A 341 53.912 0.540 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 341 56.167 0.747 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.829 -1.234 -7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.886 -0.338 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 341 58.007 -0.748 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.865 -0.524 -10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.396 -1.081 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.283 -0.879 -10.413 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.559 -1.149 -8.334 1.00 0.00 H new ATOM 60 N ASP A 342 57.711 2.478 -7.045 1.00 0.00 N ATOM 61 CA ASP A 342 58.650 3.480 -7.420 1.00 0.00 C ATOM 62 C ASP A 342 60.012 2.926 -7.313 1.00 0.00 C ATOM 63 O ASP A 342 60.514 2.773 -6.224 1.00 0.00 O ATOM 64 CB ASP A 342 58.589 4.784 -6.606 1.00 0.00 C ATOM 65 CG ASP A 342 57.974 5.913 -7.387 1.00 0.00 C ATOM 66 OD1 ASP A 342 58.697 6.568 -8.157 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.749 6.135 -7.296 1.00 0.00 O ATOM 0 H ASP A 342 57.774 2.179 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 342 58.385 3.754 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.011 4.616 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.596 5.065 -6.297 1.00 0.00 H new ATOM 72 N PRO A 343 60.651 2.566 -8.406 1.00 0.00 N ATOM 73 CA PRO A 343 61.982 2.000 -8.334 1.00 0.00 C ATOM 74 C PRO A 343 63.008 2.975 -7.814 1.00 0.00 C ATOM 75 O PRO A 343 63.948 2.590 -7.153 1.00 0.00 O ATOM 76 CB PRO A 343 62.292 1.574 -9.747 1.00 0.00 C ATOM 77 CG PRO A 343 61.394 2.385 -10.604 1.00 0.00 C ATOM 78 CD PRO A 343 60.146 2.618 -9.793 1.00 0.00 C ATOM 0 HA PRO A 343 62.018 1.170 -7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.339 1.754 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 343 62.111 0.508 -9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.864 3.330 -10.877 1.00 0.00 H new ATOM 0 HG3 PRO A 343 61.164 1.863 -11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.687 3.580 -10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.392 1.853 -9.979 1.00 0.00 H new ATOM 86 N ASP A 344 62.773 4.238 -8.053 1.00 0.00 N ATOM 87 CA ASP A 344 63.685 5.287 -7.635 1.00 0.00 C ATOM 88 C ASP A 344 63.716 5.413 -6.140 1.00 0.00 C ATOM 89 O ASP A 344 64.687 5.932 -5.567 1.00 0.00 O ATOM 90 CB ASP A 344 63.243 6.646 -8.165 1.00 0.00 C ATOM 91 CG ASP A 344 63.210 6.766 -9.646 1.00 0.00 C ATOM 92 OD1 ASP A 344 62.207 6.408 -10.251 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.159 7.298 -10.229 1.00 0.00 O ATOM 0 H ASP A 344 61.945 4.576 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 344 64.664 5.011 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.248 6.864 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 344 63.914 7.408 -7.769 1.00 0.00 H new ATOM 98 N ILE A 345 62.666 4.955 -5.509 1.00 0.00 N ATOM 99 CA ILE A 345 62.486 5.223 -4.101 1.00 0.00 C ATOM 100 C ILE A 345 62.336 3.939 -3.286 1.00 0.00 C ATOM 101 O ILE A 345 62.705 3.894 -2.139 1.00 0.00 O ATOM 102 CB ILE A 345 61.250 6.189 -3.851 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.974 5.429 -3.518 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.016 7.095 -5.054 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.769 6.321 -3.279 1.00 0.00 C ATOM 0 H ILE A 345 61.927 4.399 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 345 63.391 5.726 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 345 61.504 6.800 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.749 4.742 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.146 4.822 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.165 7.747 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.904 7.701 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.812 6.485 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.900 5.705 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.972 6.990 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.568 6.909 -4.174 1.00 0.00 H new ATOM 117 N HIS A 346 61.828 2.902 -3.891 1.00 0.00 N ATOM 118 CA HIS A 346 61.499 1.708 -3.170 1.00 0.00 C ATOM 119 C HIS A 346 62.450 0.552 -3.348 1.00 0.00 C ATOM 120 O HIS A 346 63.431 0.601 -4.078 1.00 0.00 O ATOM 121 CB HIS A 346 60.061 1.276 -3.436 1.00 0.00 C ATOM 122 CG HIS A 346 59.054 2.123 -2.734 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.023 2.723 -3.398 1.00 0.00 N ATOM 124 CD2 HIS A 346 58.955 2.400 -1.419 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.316 3.354 -2.461 1.00 0.00 C ATOM 126 NE2 HIS A 346 57.843 3.180 -1.252 1.00 0.00 N ATOM 0 H HIS A 346 61.632 2.862 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 346 61.608 1.993 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.871 1.310 -4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.936 0.239 -3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.628 2.068 -0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.427 3.934 -2.658 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.488 3.555 -0.372 1.00 0.00 H new ATOM 134 N CYS A 347 62.109 -0.500 -2.647 1.00 0.00 N ATOM 135 CA CYS A 347 62.879 -1.719 -2.531 1.00 0.00 C ATOM 136 C CYS A 347 63.039 -2.468 -3.888 1.00 0.00 C ATOM 137 O CYS A 347 63.975 -3.202 -4.034 1.00 0.00 O ATOM 138 CB CYS A 347 62.186 -2.569 -1.459 1.00 0.00 C ATOM 139 SG CYS A 347 62.977 -4.087 -0.786 1.00 0.00 S ATOM 0 H CYS A 347 61.241 -0.534 -2.112 1.00 0.00 H new ATOM 0 HA CYS A 347 63.905 -1.495 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.987 -1.912 -0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 347 61.220 -2.867 -1.865 1.00 0.00 H new ATOM 144 N GLY A 348 62.064 -2.369 -4.792 1.00 0.00 N ATOM 145 CA GLY A 348 62.221 -2.911 -6.192 1.00 0.00 C ATOM 146 C GLY A 348 62.137 -4.428 -6.357 1.00 0.00 C ATOM 147 O GLY A 348 61.794 -4.934 -7.414 1.00 0.00 O ATOM 0 H GLY A 348 61.161 -1.930 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.454 -2.458 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 348 63.185 -2.580 -6.578 1.00 0.00 H new ATOM 151 N VAL A 349 62.381 -5.104 -5.308 1.00 0.00 N ATOM 152 CA VAL A 349 62.508 -6.544 -5.269 1.00 0.00 C ATOM 153 C VAL A 349 61.213 -7.182 -5.228 1.00 0.00 C ATOM 154 O VAL A 349 60.482 -7.024 -4.288 1.00 0.00 O ATOM 155 CB VAL A 349 63.385 -6.917 -4.072 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.979 -6.335 -2.818 1.00 0.00 C ATOM 157 CG2 VAL A 349 63.885 -8.342 -3.999 1.00 0.00 C ATOM 0 H VAL A 349 62.508 -4.668 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 349 62.986 -6.905 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 349 64.312 -6.396 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.660 -6.657 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 349 63.003 -5.248 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 349 61.967 -6.659 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.493 -8.469 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 349 63.036 -9.024 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 349 64.487 -8.562 -4.880 1.00 0.00 H new ATOM 167 N ILE A 350 60.909 -7.862 -6.262 1.00 0.00 N ATOM 168 CA ILE A 350 59.663 -8.490 -6.365 1.00 0.00 C ATOM 169 C ILE A 350 59.434 -9.429 -5.223 1.00 0.00 C ATOM 170 O ILE A 350 60.168 -10.392 -4.994 1.00 0.00 O ATOM 171 CB ILE A 350 59.422 -9.060 -7.739 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.385 -7.848 -8.689 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.146 -9.859 -7.745 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.856 -8.072 -10.065 1.00 0.00 C ATOM 0 H ILE A 350 61.524 -7.997 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 350 58.882 -7.737 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 350 60.200 -9.754 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.784 -7.070 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.399 -7.458 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 350 57.978 -10.268 -8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.224 -10.675 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.311 -9.213 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.888 -7.137 -10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.467 -8.819 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.826 -8.425 -10.006 1.00 0.00 H new ATOM 186 N ASP A 351 58.441 -9.078 -4.497 1.00 0.00 N ATOM 187 CA ASP A 351 58.192 -9.614 -3.215 1.00 0.00 C ATOM 188 C ASP A 351 57.424 -10.860 -3.404 1.00 0.00 C ATOM 189 O ASP A 351 56.495 -10.872 -4.144 1.00 0.00 O ATOM 190 CB ASP A 351 57.370 -8.582 -2.481 1.00 0.00 C ATOM 191 CG ASP A 351 57.553 -8.561 -0.983 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.879 -9.357 -0.285 1.00 0.00 O ATOM 193 OD2 ASP A 351 58.372 -7.709 -0.477 1.00 0.00 O ATOM 0 H ASP A 351 57.754 -8.384 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 351 59.099 -9.838 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.618 -7.596 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 351 56.317 -8.757 -2.700 1.00 0.00 H new ATOM 198 N LEU A 352 57.812 -11.907 -2.776 1.00 0.00 N ATOM 199 CA LEU A 352 57.149 -13.177 -2.961 1.00 0.00 C ATOM 200 C LEU A 352 55.827 -13.283 -2.223 1.00 0.00 C ATOM 201 O LEU A 352 55.095 -14.254 -2.386 1.00 0.00 O ATOM 202 CB LEU A 352 58.112 -14.296 -2.649 1.00 0.00 C ATOM 203 CG LEU A 352 58.913 -14.880 -3.829 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.121 -15.983 -4.507 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.261 -13.812 -4.871 1.00 0.00 C ATOM 0 H LEU A 352 58.592 -11.926 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 352 56.860 -13.263 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.821 -13.935 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.550 -15.107 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 352 59.841 -15.278 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 352 58.698 -16.387 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 352 57.915 -16.777 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.180 -15.578 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 352 59.825 -14.268 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.343 -13.376 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 352 59.862 -13.031 -4.405 1.00 0.00 H new ATOM 217 N ASP A 353 55.514 -12.287 -1.431 1.00 0.00 N ATOM 218 CA ASP A 353 54.209 -12.218 -0.801 1.00 0.00 C ATOM 219 C ASP A 353 53.279 -11.581 -1.750 1.00 0.00 C ATOM 220 O ASP A 353 52.285 -12.167 -2.174 1.00 0.00 O ATOM 221 CB ASP A 353 54.220 -11.342 0.440 1.00 0.00 C ATOM 222 CG ASP A 353 52.870 -11.276 1.149 1.00 0.00 C ATOM 223 OD1 ASP A 353 52.016 -10.471 0.755 1.00 0.00 O ATOM 224 OD2 ASP A 353 52.653 -12.026 2.135 1.00 0.00 O ATOM 0 H ASP A 353 56.139 -11.513 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 353 53.918 -13.232 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.969 -11.720 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.525 -10.333 0.161 1.00 0.00 H new ATOM 229 N THR A 354 53.626 -10.377 -2.125 1.00 0.00 N ATOM 230 CA THR A 354 52.744 -9.611 -2.893 1.00 0.00 C ATOM 231 C THR A 354 52.867 -9.901 -4.403 1.00 0.00 C ATOM 232 O THR A 354 51.931 -9.698 -5.166 1.00 0.00 O ATOM 233 CB THR A 354 52.838 -8.106 -2.571 1.00 0.00 C ATOM 234 OG1 THR A 354 54.198 -7.643 -2.662 1.00 0.00 O ATOM 235 CG2 THR A 354 52.301 -7.814 -1.179 1.00 0.00 C ATOM 0 H THR A 354 54.514 -9.928 -1.901 1.00 0.00 H new ATOM 0 HA THR A 354 51.740 -9.923 -2.606 1.00 0.00 H new ATOM 0 HB THR A 354 52.232 -7.578 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.378 -7.012 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 354 52.378 -6.746 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 354 51.256 -8.120 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.883 -8.367 -0.441 1.00 0.00 H new ATOM 243 N LYS A 355 54.054 -10.347 -4.806 1.00 0.00 N ATOM 244 CA LYS A 355 54.375 -10.767 -6.180 1.00 0.00 C ATOM 245 C LYS A 355 54.300 -9.654 -7.148 1.00 0.00 C ATOM 246 O LYS A 355 53.800 -9.759 -8.269 1.00 0.00 O ATOM 247 CB LYS A 355 53.631 -11.996 -6.600 1.00 0.00 C ATOM 248 CG LYS A 355 54.170 -13.249 -5.941 1.00 0.00 C ATOM 249 CD LYS A 355 55.584 -13.617 -6.413 1.00 0.00 C ATOM 250 CE LYS A 355 55.643 -13.847 -7.914 1.00 0.00 C ATOM 251 NZ LYS A 355 56.982 -14.277 -8.375 1.00 0.00 N ATOM 0 H LYS A 355 54.848 -10.431 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 355 55.423 -11.065 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.576 -11.882 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 355 53.693 -12.103 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.179 -13.109 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 355 53.496 -14.080 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.276 -12.820 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 355 55.916 -14.517 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 355 54.908 -14.603 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 355 55.364 -12.928 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.965 -14.419 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.682 -13.546 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 57.241 -15.169 -7.907 1.00 0.00 H new ATOM 265 N LYS A 356 54.841 -8.621 -6.698 1.00 0.00 N ATOM 266 CA LYS A 356 54.963 -7.403 -7.377 1.00 0.00 C ATOM 267 C LYS A 356 56.224 -6.818 -6.836 1.00 0.00 C ATOM 268 O LYS A 356 56.763 -7.380 -5.862 1.00 0.00 O ATOM 269 CB LYS A 356 53.762 -6.539 -7.036 1.00 0.00 C ATOM 270 CG LYS A 356 53.796 -5.872 -5.678 1.00 0.00 C ATOM 271 CD LYS A 356 52.657 -4.898 -5.535 1.00 0.00 C ATOM 272 CE LYS A 356 52.809 -4.068 -4.287 1.00 0.00 C ATOM 273 NZ LYS A 356 52.776 -4.882 -3.060 1.00 0.00 N ATOM 0 H LYS A 356 55.250 -8.590 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 356 54.996 -7.495 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.667 -5.765 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.866 -7.156 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.736 -6.627 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.745 -5.352 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.620 -4.246 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.712 -5.440 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 356 53.751 -3.521 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.011 -3.326 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 52.850 -4.261 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 51.881 -5.411 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 53.573 -5.550 -3.065 1.00 0.00 H new ATOM 287 N PRO A 357 56.755 -5.749 -7.410 1.00 0.00 N ATOM 288 CA PRO A 357 57.941 -5.166 -6.889 1.00 0.00 C ATOM 289 C PRO A 357 57.723 -4.628 -5.525 1.00 0.00 C ATOM 290 O PRO A 357 56.594 -4.393 -5.077 1.00 0.00 O ATOM 291 CB PRO A 357 58.293 -4.061 -7.797 1.00 0.00 C ATOM 292 CG PRO A 357 57.239 -3.940 -8.824 1.00 0.00 C ATOM 293 CD PRO A 357 56.240 -5.035 -8.585 1.00 0.00 C ATOM 0 HA PRO A 357 58.731 -5.914 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 357 58.387 -3.129 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 357 59.258 -4.250 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.758 -2.964 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.667 -4.024 -9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 357 55.245 -4.631 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 357 56.161 -5.696 -9.448 1.00 0.00 H new ATOM 301 N CYS A 358 58.775 -4.343 -4.895 1.00 0.00 N ATOM 302 CA CYS A 358 58.703 -4.107 -3.597 1.00 0.00 C ATOM 303 C CYS A 358 58.696 -2.685 -3.299 1.00 0.00 C ATOM 304 O CYS A 358 59.733 -2.036 -3.242 1.00 0.00 O ATOM 305 CB CYS A 358 59.765 -4.753 -2.916 1.00 0.00 C ATOM 306 SG CYS A 358 59.402 -4.910 -1.191 1.00 0.00 S ATOM 0 H CYS A 358 59.707 -4.275 -5.305 1.00 0.00 H new ATOM 0 HA CYS A 358 57.756 -4.515 -3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.933 -5.739 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.686 -4.186 -3.048 1.00 0.00 H new ATOM 311 N THR A 359 57.576 -2.221 -3.117 1.00 0.00 N ATOM 312 CA THR A 359 57.348 -0.868 -2.798 1.00 0.00 C ATOM 313 C THR A 359 56.882 -0.758 -1.340 1.00 0.00 C ATOM 314 O THR A 359 56.032 0.028 -0.975 1.00 0.00 O ATOM 315 CB THR A 359 56.414 -0.213 -3.894 1.00 0.00 C ATOM 316 OG1 THR A 359 55.874 1.056 -3.569 1.00 0.00 O ATOM 317 CG2 THR A 359 55.340 -1.161 -4.369 1.00 0.00 C ATOM 0 H THR A 359 56.723 -2.777 -3.182 1.00 0.00 H new ATOM 0 HA THR A 359 58.262 -0.275 -2.836 1.00 0.00 H new ATOM 0 HB THR A 359 57.097 -0.014 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.487 1.759 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.724 -0.666 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.803 -2.046 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.716 -1.456 -3.525 1.00 0.00 H new ATOM 325 N ARG A 360 57.563 -1.528 -0.500 1.00 0.00 N ATOM 326 CA ARG A 360 57.332 -1.484 0.931 1.00 0.00 C ATOM 327 C ARG A 360 57.917 -0.218 1.459 1.00 0.00 C ATOM 328 O ARG A 360 57.235 0.751 1.759 1.00 0.00 O ATOM 329 CB ARG A 360 58.029 -2.649 1.602 1.00 0.00 C ATOM 330 CG ARG A 360 57.226 -3.902 1.694 1.00 0.00 C ATOM 331 CD ARG A 360 56.103 -3.782 2.700 1.00 0.00 C ATOM 332 NE ARG A 360 54.975 -2.949 2.237 1.00 0.00 N ATOM 333 CZ ARG A 360 54.339 -2.021 2.973 1.00 0.00 C ATOM 334 NH1 ARG A 360 54.747 -1.725 4.201 1.00 0.00 N ATOM 335 NH2 ARG A 360 53.287 -1.406 2.471 1.00 0.00 N ATOM 0 H ARG A 360 58.281 -2.191 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 360 56.262 -1.536 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.948 -2.865 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.319 -2.347 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.811 -4.140 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.877 -4.730 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 360 55.733 -4.779 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.499 -3.360 3.624 1.00 0.00 H new ATOM 0 HE ARG A 360 54.652 -3.089 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.554 -2.204 4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.253 -1.018 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 360 52.962 -1.636 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 360 52.798 -0.700 3.022 1.00 0.00 H new ATOM 349 N SER A 361 59.197 -0.251 1.509 1.00 0.00 N ATOM 350 CA SER A 361 60.009 0.857 1.879 1.00 0.00 C ATOM 351 C SER A 361 61.414 0.590 1.434 1.00 0.00 C ATOM 352 O SER A 361 61.707 -0.482 0.826 1.00 0.00 O ATOM 353 CB SER A 361 59.967 1.099 3.385 1.00 0.00 C ATOM 354 OG SER A 361 60.358 -0.072 4.087 1.00 0.00 O ATOM 0 H SER A 361 59.736 -1.087 1.284 1.00 0.00 H new ATOM 0 HA SER A 361 59.627 1.756 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.629 1.925 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 361 58.960 1.391 3.685 1.00 0.00 H new ATOM 0 HG SER A 361 60.328 0.099 5.051 1.00 0.00 H new ATOM 360 N LEU A 362 62.277 1.502 1.777 1.00 0.00 N ATOM 361 CA LEU A 362 63.648 1.478 1.421 1.00 0.00 C ATOM 362 C LEU A 362 64.392 0.565 2.390 1.00 0.00 C ATOM 363 O LEU A 362 65.455 0.092 2.114 1.00 0.00 O ATOM 364 CB LEU A 362 64.212 2.913 1.503 1.00 0.00 C ATOM 365 CG LEU A 362 63.529 4.016 0.631 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.148 4.427 1.145 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.402 5.245 0.476 1.00 0.00 C ATOM 0 H LEU A 362 62.023 2.315 2.338 1.00 0.00 H new ATOM 0 HA LEU A 362 63.772 1.102 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.165 3.232 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.266 2.875 1.229 1.00 0.00 H new ATOM 0 HG LEU A 362 63.393 3.554 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 362 61.731 5.195 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.489 3.559 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.239 4.820 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.885 5.983 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 362 64.609 5.670 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.340 4.967 -0.004 1.00 0.00 H new ATOM 379 N THR A 363 63.745 0.276 3.484 1.00 0.00 N ATOM 380 CA THR A 363 64.305 -0.502 4.574 1.00 0.00 C ATOM 381 C THR A 363 63.383 -1.693 4.816 1.00 0.00 C ATOM 382 O THR A 363 63.266 -2.212 5.930 1.00 0.00 O ATOM 383 CB THR A 363 64.375 0.405 5.823 1.00 0.00 C ATOM 384 OG1 THR A 363 64.890 -0.277 6.978 1.00 0.00 O ATOM 385 CG2 THR A 363 63.014 0.969 6.118 1.00 0.00 C ATOM 0 H THR A 363 62.786 0.580 3.655 1.00 0.00 H new ATOM 0 HA THR A 363 65.307 -0.865 4.345 1.00 0.00 H new ATOM 0 HB THR A 363 65.072 1.212 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.535 -1.190 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.068 1.608 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.670 1.555 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.315 0.154 6.303 1.00 0.00 H new ATOM 393 N CYS A 364 62.766 -2.107 3.713 1.00 0.00 N ATOM 394 CA CYS A 364 61.815 -3.206 3.619 1.00 0.00 C ATOM 395 C CYS A 364 62.078 -4.348 4.616 1.00 0.00 C ATOM 396 O CYS A 364 63.102 -5.025 4.521 1.00 0.00 O ATOM 397 CB CYS A 364 61.958 -3.777 2.277 1.00 0.00 C ATOM 398 SG CYS A 364 60.980 -5.244 1.997 1.00 0.00 S ATOM 0 H CYS A 364 62.927 -1.658 2.811 1.00 0.00 H new ATOM 0 HA CYS A 364 60.827 -2.801 3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.679 -3.022 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 364 63.008 -4.016 2.106 1.00 0.00 H new ATOM 403 N LYS A 365 61.114 -4.599 5.466 1.00 0.00 N ATOM 404 CA LYS A 365 61.178 -5.546 6.548 1.00 0.00 C ATOM 405 C LYS A 365 60.934 -6.966 6.051 1.00 0.00 C ATOM 406 O LYS A 365 61.188 -7.944 6.744 1.00 0.00 O ATOM 407 CB LYS A 365 60.094 -5.112 7.532 1.00 0.00 C ATOM 408 CG LYS A 365 59.928 -5.955 8.758 1.00 0.00 C ATOM 409 CD LYS A 365 58.884 -5.358 9.708 1.00 0.00 C ATOM 410 CE LYS A 365 57.511 -5.166 9.040 1.00 0.00 C ATOM 411 NZ LYS A 365 56.894 -6.435 8.592 1.00 0.00 N ATOM 0 H LYS A 365 60.214 -4.121 5.418 1.00 0.00 H new ATOM 0 HA LYS A 365 62.163 -5.557 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.308 -4.091 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.142 -5.089 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.627 -6.963 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.884 -6.042 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.773 -6.010 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.242 -4.396 10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 365 56.839 -4.672 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.622 -4.502 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 55.973 -6.237 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.516 -6.898 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.758 -7.063 9.410 1.00 0.00 H new ATOM 425 N THR A 366 60.483 -7.058 4.844 1.00 0.00 N ATOM 426 CA THR A 366 60.125 -8.304 4.254 1.00 0.00 C ATOM 427 C THR A 366 61.371 -9.034 3.753 1.00 0.00 C ATOM 428 O THR A 366 61.487 -10.259 3.787 1.00 0.00 O ATOM 429 CB THR A 366 59.294 -7.983 3.029 1.00 0.00 C ATOM 430 OG1 THR A 366 58.192 -7.132 3.374 1.00 0.00 O ATOM 431 CG2 THR A 366 58.842 -9.231 2.312 1.00 0.00 C ATOM 0 H THR A 366 60.351 -6.255 4.230 1.00 0.00 H new ATOM 0 HA THR A 366 59.601 -8.920 4.985 1.00 0.00 H new ATOM 0 HB THR A 366 59.928 -7.439 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.668 -6.934 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 366 58.249 -8.955 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.713 -9.803 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.236 -9.838 2.985 1.00 0.00 H new ATOM 439 N HIS A 367 62.306 -8.253 3.347 1.00 0.00 N ATOM 440 CA HIS A 367 63.408 -8.722 2.585 1.00 0.00 C ATOM 441 C HIS A 367 64.683 -8.440 3.280 1.00 0.00 C ATOM 442 O HIS A 367 64.806 -7.405 3.910 1.00 0.00 O ATOM 443 CB HIS A 367 63.403 -8.006 1.222 1.00 0.00 C ATOM 444 CG HIS A 367 62.410 -8.499 0.183 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.657 -7.628 -0.563 1.00 0.00 N ATOM 446 CD2 HIS A 367 62.224 -9.748 -0.300 1.00 0.00 C ATOM 447 CE1 HIS A 367 61.055 -8.384 -1.495 1.00 0.00 C ATOM 448 NE2 HIS A 367 61.370 -9.668 -1.353 1.00 0.00 N ATOM 0 H HIS A 367 62.328 -7.251 3.538 1.00 0.00 H new ATOM 0 HA HIS A 367 63.318 -9.800 2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 367 63.211 -6.947 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 367 64.404 -8.083 0.796 1.00 0.00 H new ATOM 0 HD2 HIS A 367 62.675 -10.651 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 367 60.399 -7.999 -2.262 1.00 0.00 H new ATOM 0 HE2 HIS A 367 61.035 -10.443 -1.925 1.00 0.00 H new ATOM 456 N SER A 368 65.628 -9.335 3.143 1.00 0.00 N ATOM 457 CA SER A 368 66.913 -9.132 3.706 1.00 0.00 C ATOM 458 C SER A 368 67.730 -8.210 2.861 1.00 0.00 C ATOM 459 O SER A 368 67.445 -8.042 1.664 1.00 0.00 O ATOM 460 CB SER A 368 67.613 -10.441 3.970 1.00 0.00 C ATOM 461 OG SER A 368 67.728 -11.216 2.807 1.00 0.00 O ATOM 0 H SER A 368 65.517 -10.215 2.639 1.00 0.00 H new ATOM 0 HA SER A 368 66.784 -8.648 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.606 -10.246 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 368 67.063 -11.001 4.726 1.00 0.00 H new ATOM 0 HG SER A 368 68.188 -12.055 3.017 1.00 0.00 H new ATOM 467 N LEU A 369 68.728 -7.606 3.483 1.00 0.00 N ATOM 468 CA LEU A 369 69.629 -6.642 2.886 1.00 0.00 C ATOM 469 C LEU A 369 70.118 -7.071 1.525 1.00 0.00 C ATOM 470 O LEU A 369 70.073 -6.280 0.567 1.00 0.00 O ATOM 471 CB LEU A 369 70.774 -6.373 3.890 1.00 0.00 C ATOM 472 CG LEU A 369 72.002 -5.521 3.469 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.996 -6.353 2.696 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.587 -4.343 2.615 1.00 0.00 C ATOM 0 H LEU A 369 68.940 -7.785 4.465 1.00 0.00 H new ATOM 0 HA LEU A 369 69.097 -5.710 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.332 -5.892 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 369 71.151 -7.342 4.217 1.00 0.00 H new ATOM 0 HG LEU A 369 72.465 -5.155 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.847 -5.733 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.340 -7.179 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.520 -6.748 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.469 -3.767 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 369 71.090 -4.704 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.902 -3.709 3.178 1.00 0.00 H new ATOM 486 N THR A 370 70.483 -8.311 1.407 1.00 0.00 N ATOM 487 CA THR A 370 71.029 -8.799 0.159 1.00 0.00 C ATOM 488 C THR A 370 69.975 -8.754 -0.953 1.00 0.00 C ATOM 489 O THR A 370 70.276 -8.453 -2.095 1.00 0.00 O ATOM 490 CB THR A 370 71.596 -10.223 0.301 1.00 0.00 C ATOM 491 OG1 THR A 370 72.616 -10.230 1.323 1.00 0.00 O ATOM 492 CG2 THR A 370 72.202 -10.678 -1.017 1.00 0.00 C ATOM 0 H THR A 370 70.417 -9.007 2.150 1.00 0.00 H new ATOM 0 HA THR A 370 71.853 -8.139 -0.112 1.00 0.00 H new ATOM 0 HB THR A 370 70.790 -10.903 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.978 -11.136 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.600 -11.687 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.434 -10.674 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.007 -10.000 -1.301 1.00 0.00 H new ATOM 500 N GLN A 371 68.733 -8.913 -0.571 1.00 0.00 N ATOM 501 CA GLN A 371 67.653 -9.029 -1.539 1.00 0.00 C ATOM 502 C GLN A 371 67.303 -7.672 -2.058 1.00 0.00 C ATOM 503 O GLN A 371 66.836 -7.525 -3.175 1.00 0.00 O ATOM 504 CB GLN A 371 66.435 -9.678 -0.912 1.00 0.00 C ATOM 505 CG GLN A 371 66.833 -10.832 0.000 1.00 0.00 C ATOM 506 CD GLN A 371 65.711 -11.714 0.462 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.873 -12.921 0.628 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.623 -11.124 0.765 1.00 0.00 N ATOM 0 H GLN A 371 68.437 -8.966 0.404 1.00 0.00 H new ATOM 0 HA GLN A 371 67.986 -9.660 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.878 -8.935 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.770 -10.043 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.563 -11.449 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.333 -10.422 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.528 -10.120 0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.848 -11.656 1.161 1.00 0.00 H new ATOM 517 N ARG A 372 67.533 -6.666 -1.239 1.00 0.00 N ATOM 518 CA ARG A 372 67.304 -5.325 -1.685 1.00 0.00 C ATOM 519 C ARG A 372 68.429 -4.918 -2.606 1.00 0.00 C ATOM 520 O ARG A 372 68.204 -4.278 -3.619 1.00 0.00 O ATOM 521 CB ARG A 372 67.242 -4.291 -0.576 1.00 0.00 C ATOM 522 CG ARG A 372 66.122 -4.375 0.439 1.00 0.00 C ATOM 523 CD ARG A 372 66.422 -5.365 1.526 1.00 0.00 C ATOM 524 NE ARG A 372 65.798 -5.027 2.785 1.00 0.00 N ATOM 525 CZ ARG A 372 66.405 -4.423 3.832 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.632 -3.924 3.716 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.763 -4.322 4.978 1.00 0.00 N ATOM 0 H ARG A 372 67.872 -6.757 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 372 66.329 -5.341 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.185 -4.335 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.190 -3.308 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.957 -3.392 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.197 -4.658 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 372 66.085 -6.353 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.501 -5.426 1.666 1.00 0.00 H new ATOM 0 HE ARG A 372 64.812 -5.265 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.129 -3.994 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.076 -3.471 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.819 -4.697 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.210 -3.869 5.775 1.00 0.00 H new ATOM 541 N ARG A 373 69.645 -5.293 -2.229 1.00 0.00 N ATOM 542 CA ARG A 373 70.830 -4.948 -2.996 1.00 0.00 C ATOM 543 C ARG A 373 70.861 -5.632 -4.343 1.00 0.00 C ATOM 544 O ARG A 373 71.270 -5.028 -5.345 1.00 0.00 O ATOM 545 CB ARG A 373 72.073 -5.288 -2.213 1.00 0.00 C ATOM 546 CG ARG A 373 72.285 -4.393 -1.035 1.00 0.00 C ATOM 547 CD ARG A 373 73.543 -4.723 -0.301 1.00 0.00 C ATOM 548 NE ARG A 373 74.718 -4.593 -1.148 1.00 0.00 N ATOM 549 CZ ARG A 373 75.958 -4.335 -0.726 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.157 -3.773 0.460 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.982 -4.513 -1.557 1.00 0.00 N ATOM 0 H ARG A 373 69.834 -5.840 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 373 70.796 -3.874 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.009 -6.321 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 373 72.939 -5.224 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.322 -3.356 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.436 -4.479 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.643 -4.064 0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.483 -5.742 0.082 1.00 0.00 H new ATOM 0 HE ARG A 373 74.583 -4.709 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.361 -3.537 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.106 -3.577 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.816 -4.844 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.933 -4.318 -1.244 1.00 0.00 H new ATOM 565 N ALA A 374 70.436 -6.879 -4.360 1.00 0.00 N ATOM 566 CA ALA A 374 70.402 -7.684 -5.575 1.00 0.00 C ATOM 567 C ALA A 374 69.569 -7.036 -6.684 1.00 0.00 C ATOM 568 O ALA A 374 69.947 -7.067 -7.858 1.00 0.00 O ATOM 569 CB ALA A 374 69.882 -9.079 -5.274 1.00 0.00 C ATOM 0 H ALA A 374 70.102 -7.369 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 374 71.427 -7.752 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.863 -9.666 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.536 -9.562 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.874 -9.011 -4.866 1.00 0.00 H new ATOM 575 N VAL A 375 68.477 -6.413 -6.311 1.00 0.00 N ATOM 576 CA VAL A 375 67.593 -5.826 -7.282 1.00 0.00 C ATOM 577 C VAL A 375 68.026 -4.410 -7.681 1.00 0.00 C ATOM 578 O VAL A 375 68.119 -3.484 -6.842 1.00 0.00 O ATOM 579 CB VAL A 375 66.109 -5.842 -6.814 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.910 -5.048 -5.534 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.181 -5.349 -7.913 1.00 0.00 C ATOM 0 H VAL A 375 68.181 -6.301 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 375 67.663 -6.453 -8.171 1.00 0.00 H new ATOM 0 HB VAL A 375 65.852 -6.878 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.860 -5.085 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.522 -5.477 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.204 -4.012 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.151 -5.371 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.449 -4.328 -8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.277 -5.994 -8.787 1.00 0.00 H new ATOM 591 N GLN A 376 68.286 -4.234 -8.947 1.00 0.00 N ATOM 592 CA GLN A 376 68.627 -2.939 -9.470 1.00 0.00 C ATOM 593 C GLN A 376 67.360 -2.140 -9.815 1.00 0.00 C ATOM 594 O GLN A 376 66.965 -1.996 -10.977 1.00 0.00 O ATOM 595 CB GLN A 376 69.623 -3.023 -10.640 1.00 0.00 C ATOM 596 CG GLN A 376 69.252 -4.032 -11.716 1.00 0.00 C ATOM 597 CD GLN A 376 70.155 -3.948 -12.925 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.875 -3.214 -13.869 1.00 0.00 O ATOM 599 NE2 GLN A 376 71.239 -4.684 -12.917 1.00 0.00 N ATOM 0 H GLN A 376 68.268 -4.980 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 376 69.149 -2.390 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.709 -2.038 -11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.607 -3.278 -10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.302 -5.038 -11.299 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.220 -3.866 -12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 376 71.443 -5.283 -12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 376 71.879 -4.658 -13.711 1.00 0.00 H new ATOM 608 N GLY A 377 66.677 -1.729 -8.768 1.00 0.00 N ATOM 609 CA GLY A 377 65.474 -0.938 -8.902 1.00 0.00 C ATOM 610 C GLY A 377 65.751 0.523 -8.853 1.00 0.00 C ATOM 611 O GLY A 377 65.330 1.275 -9.720 1.00 0.00 O ATOM 0 H GLY A 377 66.939 -1.933 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.985 -1.181 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.778 -1.201 -8.105 1.00 0.00 H new ATOM 615 N ARG A 378 66.492 0.911 -7.867 1.00 0.00 N ATOM 616 CA ARG A 378 66.795 2.291 -7.597 1.00 0.00 C ATOM 617 C ARG A 378 67.694 2.872 -8.658 1.00 0.00 C ATOM 618 O ARG A 378 68.295 2.148 -9.460 1.00 0.00 O ATOM 619 CB ARG A 378 67.471 2.357 -6.264 1.00 0.00 C ATOM 620 CG ARG A 378 66.694 1.651 -5.179 1.00 0.00 C ATOM 621 CD ARG A 378 67.623 1.145 -4.165 1.00 0.00 C ATOM 622 NE ARG A 378 66.969 0.097 -3.473 1.00 0.00 N ATOM 623 CZ ARG A 378 66.948 -1.149 -3.934 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.467 -1.421 -5.134 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.411 -2.105 -3.227 1.00 0.00 N ATOM 0 H ARG A 378 66.919 0.263 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 378 65.874 2.874 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.463 1.912 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.611 3.401 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.979 2.337 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.120 0.828 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.539 0.783 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.908 1.940 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 378 66.499 0.305 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.878 -0.673 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.453 -2.376 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.004 -1.898 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.398 -3.059 -3.586 1.00 0.00 H new ATOM 639 N ARG A 379 67.791 4.169 -8.653 1.00 0.00 N ATOM 640 CA ARG A 379 68.615 4.869 -9.603 1.00 0.00 C ATOM 641 C ARG A 379 70.049 4.974 -9.105 1.00 0.00 C ATOM 642 O ARG A 379 70.921 5.513 -9.778 1.00 0.00 O ATOM 643 CB ARG A 379 68.003 6.239 -9.915 1.00 0.00 C ATOM 644 CG ARG A 379 67.816 7.198 -8.747 1.00 0.00 C ATOM 645 CD ARG A 379 66.893 8.320 -9.191 1.00 0.00 C ATOM 646 NE ARG A 379 66.667 9.377 -8.191 1.00 0.00 N ATOM 647 CZ ARG A 379 65.492 10.021 -8.023 1.00 0.00 C ATOM 648 NH1 ARG A 379 64.419 9.650 -8.730 1.00 0.00 N ATOM 649 NH2 ARG A 379 65.404 11.032 -7.159 1.00 0.00 N ATOM 0 H ARG A 379 67.303 4.774 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 379 68.650 4.303 -10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.632 6.729 -10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.030 6.077 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.392 6.674 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.778 7.601 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.307 8.775 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.930 7.890 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 379 67.447 9.639 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.488 8.881 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 379 63.531 10.136 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 379 66.224 11.319 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 379 64.517 11.519 -7.032 1.00 0.00 H new ATOM 663 N LYS A 380 70.268 4.461 -7.907 1.00 0.00 N ATOM 664 CA LYS A 380 71.527 4.452 -7.257 1.00 0.00 C ATOM 665 C LYS A 380 71.650 3.057 -6.649 1.00 0.00 C ATOM 666 O LYS A 380 70.721 2.245 -6.805 1.00 0.00 O ATOM 667 CB LYS A 380 71.442 5.467 -6.131 1.00 0.00 C ATOM 668 CG LYS A 380 70.867 6.787 -6.552 1.00 0.00 C ATOM 669 CD LYS A 380 70.290 7.533 -5.392 1.00 0.00 C ATOM 670 CE LYS A 380 69.521 8.722 -5.900 1.00 0.00 C ATOM 671 NZ LYS A 380 68.893 9.489 -4.819 1.00 0.00 N ATOM 0 H LYS A 380 69.530 4.026 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 380 72.363 4.683 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.832 5.055 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.440 5.629 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.644 7.389 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.093 6.624 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.635 6.881 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.086 7.859 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.193 9.373 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.752 8.384 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.348 10.277 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.256 8.869 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 69.629 9.865 -4.188 1.00 0.00 H new ATOM 685 N ARG A 381 72.738 2.782 -5.953 1.00 0.00 N ATOM 686 CA ARG A 381 72.896 1.517 -5.226 1.00 0.00 C ATOM 687 C ARG A 381 71.857 1.466 -4.144 1.00 0.00 C ATOM 688 O ARG A 381 71.294 2.489 -3.765 1.00 0.00 O ATOM 689 CB ARG A 381 74.271 1.421 -4.547 1.00 0.00 C ATOM 690 CG ARG A 381 75.463 1.651 -5.443 1.00 0.00 C ATOM 691 CD ARG A 381 75.428 0.767 -6.658 1.00 0.00 C ATOM 692 NE ARG A 381 76.627 0.916 -7.477 1.00 0.00 N ATOM 693 CZ ARG A 381 77.014 0.058 -8.425 1.00 0.00 C ATOM 694 NH1 ARG A 381 76.257 -0.984 -8.724 1.00 0.00 N ATOM 695 NH2 ARG A 381 78.141 0.260 -9.088 1.00 0.00 N ATOM 0 H ARG A 381 73.533 3.415 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 381 72.794 0.699 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.306 2.147 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.364 0.433 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.487 2.695 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.380 1.464 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 381 75.328 -0.273 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 381 74.549 1.007 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 381 77.212 1.735 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 381 75.377 -1.133 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 381 76.553 -1.639 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.719 1.074 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 381 78.432 -0.398 -9.811 1.00 0.00 H new ATOM 709 N PHE A 382 71.621 0.325 -3.622 1.00 0.00 N ATOM 710 CA PHE A 382 70.639 0.208 -2.586 1.00 0.00 C ATOM 711 C PHE A 382 71.097 0.871 -1.305 1.00 0.00 C ATOM 712 O PHE A 382 70.363 1.595 -0.681 1.00 0.00 O ATOM 713 CB PHE A 382 70.258 -1.240 -2.334 1.00 0.00 C ATOM 714 CG PHE A 382 69.513 -1.409 -1.041 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.286 -0.835 -0.877 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.061 -2.095 0.011 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.614 -0.925 0.289 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.385 -2.204 1.190 1.00 0.00 C ATOM 719 CZ PHE A 382 68.157 -1.611 1.327 1.00 0.00 C ATOM 0 H PHE A 382 72.085 -0.545 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 382 69.749 0.732 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.642 -1.601 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.158 -1.854 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.842 -0.296 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.034 -2.552 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.648 -0.453 0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.816 -2.755 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.621 -1.690 2.261 1.00 0.00 H new ATOM 729 N ASP A 383 72.295 0.626 -0.969 1.00 0.00 N ATOM 730 CA ASP A 383 72.904 1.087 0.271 1.00 0.00 C ATOM 731 C ASP A 383 72.969 2.595 0.317 1.00 0.00 C ATOM 732 O ASP A 383 72.728 3.212 1.356 1.00 0.00 O ATOM 733 CB ASP A 383 74.303 0.551 0.354 1.00 0.00 C ATOM 734 CG ASP A 383 74.370 -0.940 0.164 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.422 -1.388 -1.018 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.375 -1.685 1.181 1.00 0.00 O ATOM 0 H ASP A 383 72.930 0.080 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 383 72.297 0.733 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 383 74.919 1.037 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.729 0.808 1.324 1.00 0.00 H new ATOM 741 N VAL A 384 73.269 3.177 -0.823 1.00 0.00 N ATOM 742 CA VAL A 384 73.405 4.612 -0.962 1.00 0.00 C ATOM 743 C VAL A 384 72.026 5.257 -0.885 1.00 0.00 C ATOM 744 O VAL A 384 71.850 6.353 -0.364 1.00 0.00 O ATOM 745 CB VAL A 384 74.110 4.932 -2.303 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.208 4.818 -3.492 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.874 6.228 -2.291 1.00 0.00 C ATOM 0 H VAL A 384 73.427 2.663 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 384 74.015 5.017 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 384 74.857 4.146 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.767 5.056 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.823 3.801 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.376 5.515 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.340 6.384 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.191 7.051 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.645 6.189 -1.521 1.00 0.00 H new ATOM 757 N LEU A 385 71.068 4.531 -1.387 1.00 0.00 N ATOM 758 CA LEU A 385 69.713 4.884 -1.385 1.00 0.00 C ATOM 759 C LEU A 385 69.164 4.772 0.033 1.00 0.00 C ATOM 760 O LEU A 385 68.443 5.658 0.513 1.00 0.00 O ATOM 761 CB LEU A 385 69.010 3.919 -2.349 1.00 0.00 C ATOM 762 CG LEU A 385 67.560 4.130 -2.644 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.750 3.499 -1.534 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.298 5.625 -2.794 1.00 0.00 C ATOM 0 H LEU A 385 71.242 3.629 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 385 69.552 5.912 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.548 3.948 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.123 2.911 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 385 67.265 3.656 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.688 3.643 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 385 66.969 2.432 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.009 3.966 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.242 5.790 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.563 6.136 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.901 6.020 -3.612 1.00 0.00 H new ATOM 776 N LEU A 386 69.501 3.682 0.697 1.00 0.00 N ATOM 777 CA LEU A 386 69.054 3.454 2.052 1.00 0.00 C ATOM 778 C LEU A 386 69.636 4.533 2.944 1.00 0.00 C ATOM 779 O LEU A 386 69.022 4.931 3.894 1.00 0.00 O ATOM 780 CB LEU A 386 69.530 2.118 2.563 1.00 0.00 C ATOM 781 CG LEU A 386 68.523 1.206 3.310 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.259 0.102 4.038 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.606 1.962 4.265 1.00 0.00 C ATOM 0 H LEU A 386 70.086 2.939 0.315 1.00 0.00 H new ATOM 0 HA LEU A 386 67.964 3.472 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 386 69.916 1.557 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.371 2.300 3.232 1.00 0.00 H new ATOM 0 HG LEU A 386 67.873 0.775 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.541 -0.532 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 386 69.818 -0.497 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 386 69.948 0.539 4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 386 66.929 1.260 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.206 2.470 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.026 2.697 3.707 1.00 0.00 H new ATOM 795 N ALA A 387 70.817 5.015 2.591 1.00 0.00 N ATOM 796 CA ALA A 387 71.483 6.085 3.327 1.00 0.00 C ATOM 797 C ALA A 387 70.625 7.353 3.312 1.00 0.00 C ATOM 798 O ALA A 387 70.558 8.098 4.301 1.00 0.00 O ATOM 799 CB ALA A 387 72.844 6.353 2.724 1.00 0.00 C ATOM 0 H ALA A 387 71.344 4.677 1.786 1.00 0.00 H new ATOM 0 HA ALA A 387 71.616 5.776 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.336 7.153 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.450 5.449 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.728 6.651 1.682 1.00 0.00 H new ATOM 805 N GLU A 388 69.934 7.567 2.203 1.00 0.00 N ATOM 806 CA GLU A 388 69.031 8.676 2.056 1.00 0.00 C ATOM 807 C GLU A 388 67.793 8.391 2.889 1.00 0.00 C ATOM 808 O GLU A 388 67.196 9.296 3.478 1.00 0.00 O ATOM 809 CB GLU A 388 68.618 8.810 0.614 1.00 0.00 C ATOM 810 CG GLU A 388 69.745 8.815 -0.385 1.00 0.00 C ATOM 811 CD GLU A 388 69.283 9.189 -1.757 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.178 8.772 -2.171 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.016 9.920 -2.464 1.00 0.00 O ATOM 0 H GLU A 388 69.991 6.967 1.380 1.00 0.00 H new ATOM 0 HA GLU A 388 69.518 9.595 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 388 67.943 7.990 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.051 9.734 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.514 9.515 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.206 7.828 -0.415 1.00 0.00 H new ATOM 820 N HIS A 389 67.401 7.115 2.925 1.00 0.00 N ATOM 821 CA HIS A 389 66.303 6.679 3.760 1.00 0.00 C ATOM 822 C HIS A 389 66.621 6.936 5.174 1.00 0.00 C ATOM 823 O HIS A 389 65.819 7.438 5.866 1.00 0.00 O ATOM 824 CB HIS A 389 65.942 5.211 3.575 1.00 0.00 C ATOM 825 CG HIS A 389 64.863 4.783 4.484 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.623 5.336 4.501 1.00 0.00 N ATOM 827 CD2 HIS A 389 64.926 3.969 5.515 1.00 0.00 C ATOM 828 CE1 HIS A 389 62.983 4.883 5.533 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.753 4.037 6.157 1.00 0.00 N ATOM 0 H HIS A 389 67.836 6.371 2.380 1.00 0.00 H new ATOM 0 HA HIS A 389 65.431 7.255 3.450 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.634 5.042 2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 389 66.826 4.597 3.748 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.257 5.997 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.771 3.357 5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 389 61.981 5.160 5.826 1.00 0.00 H new ATOM 838 N LYS A 390 67.777 6.558 5.592 1.00 0.00 N ATOM 839 CA LYS A 390 68.201 6.782 6.937 1.00 0.00 C ATOM 840 C LYS A 390 68.360 8.216 7.236 1.00 0.00 C ATOM 841 O LYS A 390 68.220 8.614 8.311 1.00 0.00 O ATOM 842 CB LYS A 390 69.408 5.978 7.255 1.00 0.00 C ATOM 843 CG LYS A 390 69.190 4.529 6.861 1.00 0.00 C ATOM 844 CD LYS A 390 67.927 3.949 7.502 1.00 0.00 C ATOM 845 CE LYS A 390 68.200 3.543 8.914 1.00 0.00 C ATOM 846 NZ LYS A 390 69.257 2.502 8.986 1.00 0.00 N ATOM 0 H LYS A 390 68.464 6.080 5.009 1.00 0.00 H new ATOM 0 HA LYS A 390 67.411 6.434 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.272 6.380 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.628 6.044 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.114 4.455 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.055 3.937 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.126 4.688 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.583 3.088 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.507 4.415 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.284 3.165 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.339 2.158 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.007 1.710 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.166 2.908 8.685 1.00 0.00 H new ATOM 860 N ASN A 391 68.638 8.997 6.293 1.00 0.00 N ATOM 861 CA ASN A 391 68.667 10.404 6.582 1.00 0.00 C ATOM 862 C ASN A 391 67.255 10.929 6.938 1.00 0.00 C ATOM 863 O ASN A 391 67.113 11.873 7.715 1.00 0.00 O ATOM 864 CB ASN A 391 69.351 11.198 5.480 1.00 0.00 C ATOM 865 CG ASN A 391 70.812 11.463 5.748 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.162 12.482 6.340 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.676 10.578 5.308 1.00 0.00 N ATOM 0 H ASN A 391 68.847 8.727 5.332 1.00 0.00 H new ATOM 0 HA ASN A 391 69.282 10.555 7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.255 10.656 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 391 68.834 12.149 5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.675 10.724 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.348 9.744 4.821 1.00 0.00 H new ATOM 874 N LYS A 392 66.235 10.281 6.408 1.00 0.00 N ATOM 875 CA LYS A 392 64.878 10.591 6.747 1.00 0.00 C ATOM 876 C LYS A 392 64.419 9.710 7.940 1.00 0.00 C ATOM 877 O LYS A 392 64.212 10.185 9.045 1.00 0.00 O ATOM 878 CB LYS A 392 63.981 10.313 5.549 1.00 0.00 C ATOM 879 CG LYS A 392 62.556 10.739 5.765 1.00 0.00 C ATOM 880 CD LYS A 392 62.430 12.263 5.723 1.00 0.00 C ATOM 881 CE LYS A 392 60.988 12.732 5.827 1.00 0.00 C ATOM 882 NZ LYS A 392 60.164 12.286 4.687 1.00 0.00 N ATOM 0 H LYS A 392 66.335 9.525 5.730 1.00 0.00 H new ATOM 0 HA LYS A 392 64.810 11.643 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.380 10.831 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.005 9.246 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 392 61.920 10.296 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.203 10.367 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.009 12.695 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.863 12.635 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 392 60.554 12.357 6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 392 60.967 13.820 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 59.249 12.780 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.656 12.503 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.005 11.260 4.754 1.00 0.00 H new ATOM 896 N THR A 393 64.350 8.413 7.697 1.00 0.00 N ATOM 897 CA THR A 393 63.870 7.438 8.633 1.00 0.00 C ATOM 898 C THR A 393 65.021 6.536 9.144 1.00 0.00 C ATOM 899 O THR A 393 65.086 5.336 8.917 1.00 0.00 O ATOM 900 CB THR A 393 62.819 6.567 8.005 1.00 0.00 C ATOM 901 OG1 THR A 393 61.838 7.380 7.346 1.00 0.00 O ATOM 902 CG2 THR A 393 62.149 5.669 9.042 1.00 0.00 C ATOM 0 H THR A 393 64.639 8.005 6.808 1.00 0.00 H new ATOM 0 HA THR A 393 63.441 7.985 9.473 1.00 0.00 H new ATOM 0 HB THR A 393 63.306 5.925 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.157 6.805 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.394 5.052 8.555 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.898 5.027 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.676 6.286 9.806 1.00 0.00 H new ATOM 910 N ARG A 394 65.956 7.198 9.627 1.00 0.00 N ATOM 911 CA ARG A 394 67.119 6.729 10.457 1.00 0.00 C ATOM 912 C ARG A 394 66.758 5.787 11.653 1.00 0.00 C ATOM 913 O ARG A 394 67.554 5.601 12.560 1.00 0.00 O ATOM 914 CB ARG A 394 67.901 7.969 10.937 1.00 0.00 C ATOM 915 CG ARG A 394 67.105 8.963 11.698 1.00 0.00 C ATOM 916 CD ARG A 394 67.905 10.211 11.985 1.00 0.00 C ATOM 917 NE ARG A 394 68.106 11.009 10.768 1.00 0.00 N ATOM 918 CZ ARG A 394 69.111 11.858 10.551 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.133 11.938 11.406 1.00 0.00 N ATOM 920 NH2 ARG A 394 69.093 12.619 9.469 1.00 0.00 N ATOM 0 H ARG A 394 66.000 8.206 9.477 1.00 0.00 H new ATOM 0 HA ARG A 394 67.731 6.097 9.813 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.730 7.636 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.335 8.464 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.211 9.225 11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.770 8.521 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 394 67.390 10.811 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.872 9.937 12.406 1.00 0.00 H new ATOM 0 HE ARG A 394 67.416 10.904 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.151 11.346 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 394 70.896 12.591 11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 394 68.316 12.552 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 394 69.856 13.272 9.292 1.00 0.00 H new ATOM 934 N GLU A 395 65.594 5.206 11.622 1.00 0.00 N ATOM 935 CA GLU A 395 65.129 4.287 12.610 1.00 0.00 C ATOM 936 C GLU A 395 65.293 2.882 12.050 1.00 0.00 C ATOM 937 O GLU A 395 64.632 2.528 11.063 1.00 0.00 O ATOM 938 CB GLU A 395 63.643 4.536 12.862 1.00 0.00 C ATOM 939 CG GLU A 395 63.299 5.914 13.394 1.00 0.00 C ATOM 940 CD GLU A 395 61.808 6.139 13.438 1.00 0.00 C ATOM 941 OE1 GLU A 395 61.108 5.491 14.259 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.295 6.961 12.650 1.00 0.00 O ATOM 0 H GLU A 395 64.918 5.369 10.876 1.00 0.00 H new ATOM 0 HA GLU A 395 65.688 4.408 13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.102 4.379 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.281 3.790 13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 395 63.714 6.032 14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 395 63.763 6.673 12.765 1.00 0.00 H new ATOM 949 N LYS A 396 66.186 2.114 12.602 1.00 0.00 N ATOM 950 CA LYS A 396 66.354 0.743 12.170 1.00 0.00 C ATOM 951 C LYS A 396 66.235 -0.165 13.379 1.00 0.00 C ATOM 952 O LYS A 396 66.559 0.251 14.497 1.00 0.00 O ATOM 953 CB LYS A 396 67.714 0.532 11.486 1.00 0.00 C ATOM 954 CG LYS A 396 67.867 -0.850 10.832 1.00 0.00 C ATOM 955 CD LYS A 396 69.154 -0.948 10.053 1.00 0.00 C ATOM 956 CE LYS A 396 69.228 -2.231 9.192 1.00 0.00 C ATOM 957 NZ LYS A 396 69.196 -3.481 9.985 1.00 0.00 N ATOM 0 H LYS A 396 66.812 2.406 13.352 1.00 0.00 H new ATOM 0 HA LYS A 396 65.580 0.506 11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.852 1.301 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 396 68.506 0.666 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 396 67.845 -1.623 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 396 67.023 -1.036 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 396 69.252 -0.075 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 396 69.996 -0.929 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 396 68.395 -2.235 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 396 70.143 -2.209 8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 69.249 -4.299 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 70.005 -3.499 10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 68.311 -3.524 10.530 1.00 0.00 H new ATOM 971 N GLU A 397 65.758 -1.370 13.183 1.00 0.00 N ATOM 972 CA GLU A 397 65.656 -2.312 14.252 1.00 0.00 C ATOM 973 C GLU A 397 67.003 -2.981 14.461 1.00 0.00 C ATOM 974 O GLU A 397 67.355 -3.932 13.768 1.00 0.00 O ATOM 975 CB GLU A 397 64.579 -3.348 13.962 1.00 0.00 C ATOM 976 CG GLU A 397 63.196 -2.786 13.847 1.00 0.00 C ATOM 977 CD GLU A 397 62.149 -3.841 13.596 1.00 0.00 C ATOM 978 OE1 GLU A 397 61.783 -4.571 14.535 1.00 0.00 O ATOM 979 OE2 GLU A 397 61.658 -3.960 12.448 1.00 0.00 O ATOM 0 H GLU A 397 65.433 -1.717 12.280 1.00 0.00 H new ATOM 0 HA GLU A 397 65.370 -1.787 15.163 1.00 0.00 H new ATOM 0 HB2 GLU A 397 64.827 -3.863 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 397 64.589 -4.097 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 397 62.951 -2.250 14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 397 63.172 -2.058 13.036 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 61.249 -5.582 -0.180 1.00 0.00 ZN