USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=16 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 363 THR OG1 : rot -37:sc= 1.1 USER MOD Set 1.2: A 396 LYS NZ :NH3+ 158:sc= 0.7 (180deg=-0.175) USER MOD Set 2.1: A 346 HIS : no HD1:sc= 0.643 K(o=1.7,f=-5.1!) USER MOD Set 2.2: A 359 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 354 THR OG1 : rot -120:sc= -2.58 USER MOD Single : A 355 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0548) USER MOD Single : A 356 LYS NZ :NH3+ 133:sc= -0.0222 (180deg=-0.441) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot -130:sc= -0.0139 USER MOD Single : A 368 SER OG : rot 180:sc= -1.45 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -0.105 F(o=-2,f=-0.11) USER MOD Single : A 376 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0.848 (180deg=0.848) USER MOD Single : A 389 HIS :FLIP no HD1:sc= -4.1! C(o=-5.6!,f=-4.1!) USER MOD Single : A 390 LYS NZ :NH3+ -153:sc= -0.175 (180deg=-0.966) USER MOD Single : A 391 ASN : amide:sc= 1.21 K(o=1.2,f=-0.012) USER MOD Single : A 392 LYS NZ :NH3+ -164:sc= -0.0806 (180deg=-0.334) USER MOD Single : A 393 THR OG1 : rot 180:sc= -0.0274 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.676 2.193 -3.205 1.00 0.00 N ATOM 2 CA ARG A 339 50.756 2.787 -4.095 1.00 0.00 C ATOM 3 C ARG A 339 51.186 2.411 -5.436 1.00 0.00 C ATOM 4 O ARG A 339 51.105 1.244 -5.838 1.00 0.00 O ATOM 5 CB ARG A 339 50.844 4.289 -3.933 1.00 0.00 C ATOM 6 CG ARG A 339 50.524 4.869 -2.579 1.00 0.00 C ATOM 7 CD ARG A 339 51.361 6.127 -2.394 1.00 0.00 C ATOM 8 NE ARG A 339 52.789 5.795 -2.575 1.00 0.00 N ATOM 9 CZ ARG A 339 53.588 6.190 -3.584 1.00 0.00 C ATOM 10 NH1 ARG A 339 53.179 7.091 -4.475 1.00 0.00 N ATOM 11 NH2 ARG A 339 54.790 5.658 -3.695 1.00 0.00 N ATOM 0 HA ARG A 339 49.731 2.467 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 339 51.856 4.596 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 339 50.172 4.744 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 339 49.462 5.104 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 339 50.744 4.146 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 339 51.059 6.888 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 339 51.196 6.544 -1.401 1.00 0.00 H new ATOM 0 HE ARG A 339 53.214 5.204 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 339 52.245 7.495 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 339 53.799 7.377 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 339 55.102 4.958 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 339 55.407 5.947 -4.454 1.00 0.00 H new ATOM 25 N GLU A 340 51.649 3.353 -6.123 1.00 0.00 N ATOM 26 CA GLU A 340 52.194 3.144 -7.310 1.00 0.00 C ATOM 27 C GLU A 340 53.684 3.048 -7.020 1.00 0.00 C ATOM 28 O GLU A 340 54.330 3.999 -6.599 1.00 0.00 O ATOM 29 CB GLU A 340 51.764 4.265 -8.244 1.00 0.00 C ATOM 30 CG GLU A 340 52.519 5.569 -8.098 1.00 0.00 C ATOM 31 CD GLU A 340 51.648 6.782 -8.316 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.506 7.232 -9.465 1.00 0.00 O ATOM 33 OE2 GLU A 340 51.095 7.324 -7.330 1.00 0.00 O ATOM 0 H GLU A 340 51.642 4.330 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 340 51.883 2.236 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 340 51.871 3.918 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 340 50.704 4.461 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 340 52.959 5.618 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.343 5.587 -8.811 1.00 0.00 H new ATOM 40 N PHE A 341 54.085 1.825 -6.952 1.00 0.00 N ATOM 41 CA PHE A 341 55.512 1.434 -6.863 1.00 0.00 C ATOM 42 C PHE A 341 56.414 2.406 -7.567 1.00 0.00 C ATOM 43 O PHE A 341 56.288 2.687 -8.769 1.00 0.00 O ATOM 44 CB PHE A 341 55.756 0.057 -7.509 1.00 0.00 C ATOM 45 CG PHE A 341 57.207 -0.281 -7.603 1.00 0.00 C ATOM 46 CD1 PHE A 341 57.952 -0.444 -6.468 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.824 -0.405 -8.829 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.269 -0.718 -6.535 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.157 -0.689 -8.909 1.00 0.00 C ATOM 50 CZ PHE A 341 59.883 -0.843 -7.759 1.00 0.00 C ATOM 0 H PHE A 341 53.445 1.031 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 341 55.741 1.415 -5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.245 -0.710 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.318 0.045 -8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.477 -0.352 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.248 -0.276 -9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.842 -0.839 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.635 -0.791 -9.872 1.00 0.00 H new ATOM 0 HZ PHE A 341 60.939 -1.063 -7.813 1.00 0.00 H new ATOM 60 N ASP A 342 57.331 2.875 -6.797 1.00 0.00 N ATOM 61 CA ASP A 342 58.298 3.830 -7.225 1.00 0.00 C ATOM 62 C ASP A 342 59.657 3.223 -7.058 1.00 0.00 C ATOM 63 O ASP A 342 60.168 3.178 -5.957 1.00 0.00 O ATOM 64 CB ASP A 342 58.241 5.153 -6.423 1.00 0.00 C ATOM 65 CG ASP A 342 57.010 5.994 -6.659 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.733 6.345 -7.834 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.325 6.358 -5.685 1.00 0.00 O ATOM 0 H ASP A 342 57.434 2.598 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 342 58.083 4.077 -8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.303 4.918 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.121 5.747 -6.670 1.00 0.00 H new ATOM 72 N PRO A 343 60.267 2.704 -8.117 1.00 0.00 N ATOM 73 CA PRO A 343 61.554 2.024 -8.003 1.00 0.00 C ATOM 74 C PRO A 343 62.690 2.906 -7.522 1.00 0.00 C ATOM 75 O PRO A 343 63.555 2.452 -6.791 1.00 0.00 O ATOM 76 CB PRO A 343 61.833 1.504 -9.397 1.00 0.00 C ATOM 77 CG PRO A 343 60.995 2.326 -10.300 1.00 0.00 C ATOM 78 CD PRO A 343 59.762 2.682 -9.508 1.00 0.00 C ATOM 0 HA PRO A 343 61.496 1.242 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.890 1.599 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.579 0.447 -9.480 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.527 3.222 -10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.734 1.773 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.353 3.648 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.969 1.946 -9.640 1.00 0.00 H new ATOM 86 N ASP A 344 62.654 4.172 -7.874 1.00 0.00 N ATOM 87 CA ASP A 344 63.735 5.086 -7.505 1.00 0.00 C ATOM 88 C ASP A 344 63.709 5.379 -6.024 1.00 0.00 C ATOM 89 O ASP A 344 64.711 5.800 -5.446 1.00 0.00 O ATOM 90 CB ASP A 344 63.645 6.424 -8.252 1.00 0.00 C ATOM 91 CG ASP A 344 63.761 6.320 -9.746 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.876 6.160 -10.264 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.724 6.462 -10.441 1.00 0.00 O ATOM 0 H ASP A 344 61.899 4.598 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 344 64.663 4.584 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.694 6.897 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.432 7.083 -7.885 1.00 0.00 H new ATOM 98 N ILE A 345 62.573 5.135 -5.407 1.00 0.00 N ATOM 99 CA ILE A 345 62.371 5.550 -4.019 1.00 0.00 C ATOM 100 C ILE A 345 62.063 4.372 -3.117 1.00 0.00 C ATOM 101 O ILE A 345 62.084 4.497 -1.887 1.00 0.00 O ATOM 102 CB ILE A 345 61.227 6.624 -3.908 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.903 6.028 -3.400 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.021 7.361 -5.233 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.749 7.000 -3.365 1.00 0.00 C ATOM 0 H ILE A 345 61.778 4.657 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 345 63.307 5.997 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 345 61.557 7.348 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.632 5.185 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.059 5.633 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.224 8.096 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.944 7.868 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.749 6.645 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.858 6.494 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.994 7.832 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.560 7.377 -4.370 1.00 0.00 H new ATOM 117 N HIS A 346 61.761 3.255 -3.709 1.00 0.00 N ATOM 118 CA HIS A 346 61.374 2.102 -2.961 1.00 0.00 C ATOM 119 C HIS A 346 62.179 0.842 -3.245 1.00 0.00 C ATOM 120 O HIS A 346 63.056 0.813 -4.090 1.00 0.00 O ATOM 121 CB HIS A 346 59.874 1.862 -3.048 1.00 0.00 C ATOM 122 CG HIS A 346 59.090 2.768 -2.144 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.035 3.513 -2.587 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.235 2.958 -0.824 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.556 4.134 -1.507 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.257 3.823 -0.425 1.00 0.00 N ATOM 0 H HIS A 346 61.777 3.120 -4.720 1.00 0.00 H new ATOM 0 HA HIS A 346 61.624 2.342 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.546 2.009 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.660 0.825 -2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.987 2.509 -0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.708 4.803 -1.513 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.096 4.164 0.523 1.00 0.00 H new ATOM 134 N CYS A 347 61.838 -0.191 -2.485 1.00 0.00 N ATOM 135 CA CYS A 347 62.530 -1.483 -2.429 1.00 0.00 C ATOM 136 C CYS A 347 62.724 -2.128 -3.810 1.00 0.00 C ATOM 137 O CYS A 347 63.803 -2.615 -4.092 1.00 0.00 O ATOM 138 CB CYS A 347 61.747 -2.402 -1.426 1.00 0.00 C ATOM 139 SG CYS A 347 62.412 -4.089 -1.029 1.00 0.00 S ATOM 0 H CYS A 347 61.034 -0.154 -1.859 1.00 0.00 H new ATOM 0 HA CYS A 347 63.548 -1.333 -2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.655 -1.857 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.739 -2.532 -1.820 1.00 0.00 H new ATOM 144 N GLY A 348 61.670 -2.203 -4.610 1.00 0.00 N ATOM 145 CA GLY A 348 61.806 -2.747 -5.968 1.00 0.00 C ATOM 146 C GLY A 348 62.097 -4.224 -6.022 1.00 0.00 C ATOM 147 O GLY A 348 62.356 -4.769 -7.080 1.00 0.00 O ATOM 0 H GLY A 348 60.728 -1.903 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.886 -2.550 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.605 -2.213 -6.482 1.00 0.00 H new ATOM 151 N VAL A 349 62.007 -4.876 -4.892 1.00 0.00 N ATOM 152 CA VAL A 349 62.262 -6.296 -4.849 1.00 0.00 C ATOM 153 C VAL A 349 60.977 -6.903 -5.019 1.00 0.00 C ATOM 154 O VAL A 349 60.103 -6.739 -4.156 1.00 0.00 O ATOM 155 CB VAL A 349 62.888 -6.810 -3.517 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.228 -8.294 -3.604 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.108 -6.026 -3.122 1.00 0.00 C ATOM 0 H VAL A 349 61.762 -4.454 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 349 62.994 -6.546 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 349 62.133 -6.665 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.663 -8.624 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.321 -8.864 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.944 -8.457 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.508 -6.421 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.863 -6.109 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.839 -4.978 -2.987 1.00 0.00 H new ATOM 167 N ILE A 350 60.810 -7.487 -6.135 1.00 0.00 N ATOM 168 CA ILE A 350 59.621 -8.136 -6.424 1.00 0.00 C ATOM 169 C ILE A 350 59.427 -9.268 -5.464 1.00 0.00 C ATOM 170 O ILE A 350 60.294 -10.128 -5.276 1.00 0.00 O ATOM 171 CB ILE A 350 59.504 -8.503 -7.898 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.422 -7.165 -8.667 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.314 -9.407 -8.136 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.942 -7.230 -10.090 1.00 0.00 C ATOM 0 H ILE A 350 61.509 -7.523 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 350 58.782 -7.456 -6.273 1.00 0.00 H new ATOM 0 HB ILE A 350 60.362 -9.076 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.761 -6.496 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.412 -6.709 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.252 -9.655 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.430 -10.322 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.402 -8.896 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.930 -6.227 -10.516 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.612 -7.864 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.935 -7.647 -10.116 1.00 0.00 H new ATOM 186 N ASP A 351 58.321 -9.186 -4.823 1.00 0.00 N ATOM 187 CA ASP A 351 58.006 -9.964 -3.687 1.00 0.00 C ATOM 188 C ASP A 351 57.579 -11.316 -4.140 1.00 0.00 C ATOM 189 O ASP A 351 56.725 -11.433 -4.963 1.00 0.00 O ATOM 190 CB ASP A 351 56.869 -9.244 -2.996 1.00 0.00 C ATOM 191 CG ASP A 351 56.690 -9.564 -1.549 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.328 -8.876 -0.693 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.843 -10.408 -1.229 1.00 0.00 O ATOM 0 H ASP A 351 57.576 -8.543 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 351 58.852 -10.087 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.028 -8.170 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.942 -9.479 -3.519 1.00 0.00 H new ATOM 198 N LEU A 352 58.201 -12.315 -3.653 1.00 0.00 N ATOM 199 CA LEU A 352 57.876 -13.666 -4.020 1.00 0.00 C ATOM 200 C LEU A 352 56.647 -14.186 -3.287 1.00 0.00 C ATOM 201 O LEU A 352 56.104 -15.247 -3.630 1.00 0.00 O ATOM 202 CB LEU A 352 59.101 -14.537 -3.840 1.00 0.00 C ATOM 203 CG LEU A 352 60.048 -14.669 -5.051 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.558 -15.753 -5.985 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.154 -13.370 -5.847 1.00 0.00 C ATOM 0 H LEU A 352 58.962 -12.235 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 352 57.595 -13.694 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.676 -14.145 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.768 -15.536 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 352 61.031 -14.917 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.236 -15.835 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.526 -16.704 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.559 -15.502 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.832 -13.513 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.168 -13.089 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.538 -12.579 -5.203 1.00 0.00 H new ATOM 217 N ASP A 353 56.207 -13.440 -2.292 1.00 0.00 N ATOM 218 CA ASP A 353 54.992 -13.755 -1.571 1.00 0.00 C ATOM 219 C ASP A 353 53.783 -13.138 -2.241 1.00 0.00 C ATOM 220 O ASP A 353 52.699 -13.712 -2.240 1.00 0.00 O ATOM 221 CB ASP A 353 55.060 -13.267 -0.130 1.00 0.00 C ATOM 222 CG ASP A 353 55.801 -14.190 0.791 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.163 -15.078 1.388 1.00 0.00 O ATOM 224 OD2 ASP A 353 57.027 -14.040 0.974 1.00 0.00 O ATOM 0 H ASP A 353 56.682 -12.600 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 353 54.894 -14.841 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 353 55.540 -12.288 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.046 -13.132 0.246 1.00 0.00 H new ATOM 229 N THR A 354 53.957 -11.966 -2.802 1.00 0.00 N ATOM 230 CA THR A 354 52.843 -11.275 -3.435 1.00 0.00 C ATOM 231 C THR A 354 52.976 -11.135 -4.966 1.00 0.00 C ATOM 232 O THR A 354 51.981 -10.991 -5.669 1.00 0.00 O ATOM 233 CB THR A 354 52.599 -9.922 -2.759 1.00 0.00 C ATOM 234 OG1 THR A 354 53.835 -9.230 -2.647 1.00 0.00 O ATOM 235 CG2 THR A 354 52.034 -10.104 -1.371 1.00 0.00 C ATOM 0 H THR A 354 54.847 -11.469 -2.837 1.00 0.00 H new ATOM 0 HA THR A 354 51.967 -11.907 -3.288 1.00 0.00 H new ATOM 0 HB THR A 354 51.887 -9.360 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.025 -9.051 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.870 -9.128 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 354 51.087 -10.640 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.736 -10.676 -0.764 1.00 0.00 H new ATOM 243 N LYS A 355 54.201 -11.183 -5.456 1.00 0.00 N ATOM 244 CA LYS A 355 54.539 -11.100 -6.889 1.00 0.00 C ATOM 245 C LYS A 355 54.172 -9.797 -7.514 1.00 0.00 C ATOM 246 O LYS A 355 53.530 -9.686 -8.567 1.00 0.00 O ATOM 247 CB LYS A 355 54.143 -12.321 -7.681 1.00 0.00 C ATOM 248 CG LYS A 355 55.017 -13.532 -7.370 1.00 0.00 C ATOM 249 CD LYS A 355 56.476 -13.358 -7.825 1.00 0.00 C ATOM 250 CE LYS A 355 56.606 -13.169 -9.339 1.00 0.00 C ATOM 251 NZ LYS A 355 56.104 -14.335 -10.097 1.00 0.00 N ATOM 0 H LYS A 355 55.023 -11.284 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 355 55.628 -11.112 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.102 -12.565 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.207 -12.095 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.998 -13.720 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.594 -14.412 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.910 -12.497 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.053 -14.231 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.054 -12.278 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.652 -12.997 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.320 -14.212 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 56.563 -15.200 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.075 -14.414 -9.971 1.00 0.00 H new ATOM 265 N LYS A 356 54.615 -8.834 -6.830 1.00 0.00 N ATOM 266 CA LYS A 356 54.491 -7.456 -7.129 1.00 0.00 C ATOM 267 C LYS A 356 55.779 -6.845 -6.674 1.00 0.00 C ATOM 268 O LYS A 356 56.553 -7.531 -6.002 1.00 0.00 O ATOM 269 CB LYS A 356 53.339 -6.902 -6.315 1.00 0.00 C ATOM 270 CG LYS A 356 53.564 -6.966 -4.830 1.00 0.00 C ATOM 271 CD LYS A 356 52.495 -6.243 -4.089 1.00 0.00 C ATOM 272 CE LYS A 356 52.732 -6.336 -2.590 1.00 0.00 C ATOM 273 NZ LYS A 356 54.048 -5.780 -2.198 1.00 0.00 N ATOM 0 H LYS A 356 55.125 -8.992 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 356 54.302 -7.256 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.167 -5.865 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.433 -7.455 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.591 -8.007 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.534 -6.532 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.475 -5.197 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.522 -6.667 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.942 -5.800 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.672 -7.379 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.929 -5.150 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.692 -6.557 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 54.448 -5.242 -2.993 1.00 0.00 H new ATOM 287 N PRO A 357 56.073 -5.601 -7.006 1.00 0.00 N ATOM 288 CA PRO A 357 57.240 -4.978 -6.512 1.00 0.00 C ATOM 289 C PRO A 357 57.095 -4.608 -5.086 1.00 0.00 C ATOM 290 O PRO A 357 56.185 -5.064 -4.369 1.00 0.00 O ATOM 291 CB PRO A 357 57.449 -3.769 -7.353 1.00 0.00 C ATOM 292 CG PRO A 357 56.232 -3.561 -8.160 1.00 0.00 C ATOM 293 CD PRO A 357 55.291 -4.714 -7.864 1.00 0.00 C ATOM 0 HA PRO A 357 58.093 -5.654 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.645 -2.898 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.317 -3.899 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.764 -2.609 -7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.476 -3.527 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.386 -4.371 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 357 54.978 -5.218 -8.778 1.00 0.00 H new ATOM 301 N CYS A 358 57.956 -3.792 -4.632 1.00 0.00 N ATOM 302 CA CYS A 358 57.966 -3.601 -3.323 1.00 0.00 C ATOM 303 C CYS A 358 58.153 -2.197 -2.985 1.00 0.00 C ATOM 304 O CYS A 358 59.271 -1.683 -2.984 1.00 0.00 O ATOM 305 CB CYS A 358 58.992 -4.436 -2.754 1.00 0.00 C ATOM 306 SG CYS A 358 58.758 -4.664 -1.049 1.00 0.00 S ATOM 0 H CYS A 358 58.641 -3.269 -5.177 1.00 0.00 H new ATOM 0 HA CYS A 358 56.999 -3.879 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.993 -5.404 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.968 -3.985 -2.931 1.00 0.00 H new ATOM 311 N THR A 359 57.089 -1.583 -2.743 1.00 0.00 N ATOM 312 CA THR A 359 57.073 -0.204 -2.353 1.00 0.00 C ATOM 313 C THR A 359 56.661 -0.072 -0.876 1.00 0.00 C ATOM 314 O THR A 359 55.703 0.561 -0.500 1.00 0.00 O ATOM 315 CB THR A 359 56.261 0.665 -3.403 1.00 0.00 C ATOM 316 OG1 THR A 359 55.934 1.977 -2.997 1.00 0.00 O ATOM 317 CG2 THR A 359 55.048 -0.053 -3.877 1.00 0.00 C ATOM 0 H THR A 359 56.164 -2.010 -2.804 1.00 0.00 H new ATOM 0 HA THR A 359 58.075 0.225 -2.387 1.00 0.00 H new ATOM 0 HB THR A 359 56.961 0.797 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.701 2.568 -3.151 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.514 0.569 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.342 -0.988 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.398 -0.268 -3.029 1.00 0.00 H new ATOM 325 N ARG A 360 57.419 -0.783 -0.059 1.00 0.00 N ATOM 326 CA ARG A 360 57.276 -0.725 1.380 1.00 0.00 C ATOM 327 C ARG A 360 58.074 0.413 1.921 1.00 0.00 C ATOM 328 O ARG A 360 57.553 1.411 2.423 1.00 0.00 O ATOM 329 CB ARG A 360 57.762 -2.018 1.999 1.00 0.00 C ATOM 330 CG ARG A 360 56.777 -3.131 1.813 1.00 0.00 C ATOM 331 CD ARG A 360 56.958 -4.185 2.829 1.00 0.00 C ATOM 332 NE ARG A 360 56.039 -5.318 2.630 1.00 0.00 N ATOM 333 CZ ARG A 360 55.310 -5.883 3.610 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.179 -5.264 4.778 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.666 -7.033 3.393 1.00 0.00 N ATOM 0 H ARG A 360 58.151 -1.417 -0.378 1.00 0.00 H new ATOM 0 HA ARG A 360 56.224 -0.580 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.716 -2.299 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.941 -1.866 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.763 -2.736 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 360 56.893 -3.559 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.986 -4.545 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.799 -3.761 3.821 1.00 0.00 H new ATOM 0 HE ARG A 360 55.949 -5.699 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.630 -4.362 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.627 -5.690 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.726 -7.487 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.115 -7.457 4.139 1.00 0.00 H new ATOM 349 N SER A 361 59.332 0.247 1.780 1.00 0.00 N ATOM 350 CA SER A 361 60.314 1.153 2.164 1.00 0.00 C ATOM 351 C SER A 361 61.560 0.592 1.621 1.00 0.00 C ATOM 352 O SER A 361 61.553 -0.535 1.028 1.00 0.00 O ATOM 353 CB SER A 361 60.412 1.248 3.688 1.00 0.00 C ATOM 354 OG SER A 361 60.595 -0.041 4.248 1.00 0.00 O ATOM 0 H SER A 361 59.721 -0.596 1.358 1.00 0.00 H new ATOM 0 HA SER A 361 60.102 2.159 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.244 1.895 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.506 1.702 4.090 1.00 0.00 H new ATOM 0 HG SER A 361 60.658 0.032 5.223 1.00 0.00 H new ATOM 360 N LEU A 362 62.589 1.289 1.806 1.00 0.00 N ATOM 361 CA LEU A 362 63.874 0.895 1.396 1.00 0.00 C ATOM 362 C LEU A 362 64.437 -0.100 2.370 1.00 0.00 C ATOM 363 O LEU A 362 65.221 -0.957 2.023 1.00 0.00 O ATOM 364 CB LEU A 362 64.678 2.145 1.308 1.00 0.00 C ATOM 365 CG LEU A 362 64.139 3.091 0.255 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.787 4.437 0.308 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.260 2.444 -1.099 1.00 0.00 C ATOM 0 H LEU A 362 62.569 2.197 2.270 1.00 0.00 H new ATOM 0 HA LEU A 362 63.874 0.393 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.680 2.644 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.713 1.895 1.076 1.00 0.00 H new ATOM 0 HG LEU A 362 63.085 3.278 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.364 5.075 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.611 4.887 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.860 4.331 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.873 3.120 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.308 2.225 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.687 1.517 -1.112 1.00 0.00 H new ATOM 379 N THR A 363 63.893 -0.073 3.539 1.00 0.00 N ATOM 380 CA THR A 363 64.329 -0.919 4.610 1.00 0.00 C ATOM 381 C THR A 363 63.236 -1.949 4.869 1.00 0.00 C ATOM 382 O THR A 363 63.038 -2.432 5.990 1.00 0.00 O ATOM 383 CB THR A 363 64.663 -0.082 5.866 1.00 0.00 C ATOM 384 OG1 THR A 363 65.076 -0.919 6.953 1.00 0.00 O ATOM 385 CG2 THR A 363 63.484 0.764 6.277 1.00 0.00 C ATOM 0 H THR A 363 63.120 0.545 3.787 1.00 0.00 H new ATOM 0 HA THR A 363 65.248 -1.440 4.342 1.00 0.00 H new ATOM 0 HB THR A 363 65.492 0.578 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.553 -1.747 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.743 1.344 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.221 1.441 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.634 0.119 6.501 1.00 0.00 H new ATOM 393 N CYS A 364 62.557 -2.271 3.763 1.00 0.00 N ATOM 394 CA CYS A 364 61.539 -3.289 3.658 1.00 0.00 C ATOM 395 C CYS A 364 61.832 -4.473 4.581 1.00 0.00 C ATOM 396 O CYS A 364 62.857 -5.141 4.423 1.00 0.00 O ATOM 397 CB CYS A 364 61.595 -3.775 2.275 1.00 0.00 C ATOM 398 SG CYS A 364 60.640 -5.232 1.997 1.00 0.00 S ATOM 0 H CYS A 364 62.721 -1.795 2.876 1.00 0.00 H new ATOM 0 HA CYS A 364 60.570 -2.874 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.243 -2.988 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.633 -3.976 2.011 1.00 0.00 H new ATOM 403 N LYS A 365 60.904 -4.759 5.450 1.00 0.00 N ATOM 404 CA LYS A 365 61.057 -5.676 6.546 1.00 0.00 C ATOM 405 C LYS A 365 60.754 -7.114 6.122 1.00 0.00 C ATOM 406 O LYS A 365 60.918 -8.067 6.887 1.00 0.00 O ATOM 407 CB LYS A 365 60.072 -5.179 7.587 1.00 0.00 C ATOM 408 CG LYS A 365 60.199 -5.736 8.966 1.00 0.00 C ATOM 409 CD LYS A 365 59.272 -4.988 9.921 1.00 0.00 C ATOM 410 CE LYS A 365 57.788 -5.108 9.536 1.00 0.00 C ATOM 411 NZ LYS A 365 57.275 -6.481 9.703 1.00 0.00 N ATOM 0 H LYS A 365 59.975 -4.339 5.412 1.00 0.00 H new ATOM 0 HA LYS A 365 62.079 -5.703 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.166 -4.095 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.065 -5.392 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.951 -6.797 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.231 -5.651 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.412 -5.374 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.553 -3.935 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.200 -4.426 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.658 -4.798 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.272 -6.512 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.818 -7.130 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.374 -6.770 10.697 1.00 0.00 H new ATOM 425 N THR A 366 60.325 -7.258 4.912 1.00 0.00 N ATOM 426 CA THR A 366 59.971 -8.537 4.370 1.00 0.00 C ATOM 427 C THR A 366 61.183 -9.158 3.708 1.00 0.00 C ATOM 428 O THR A 366 61.396 -10.360 3.722 1.00 0.00 O ATOM 429 CB THR A 366 58.964 -8.301 3.277 1.00 0.00 C ATOM 430 OG1 THR A 366 57.865 -7.561 3.775 1.00 0.00 O ATOM 431 CG2 THR A 366 58.517 -9.578 2.573 1.00 0.00 C ATOM 0 H THR A 366 60.207 -6.483 4.259 1.00 0.00 H new ATOM 0 HA THR A 366 59.590 -9.181 5.162 1.00 0.00 H new ATOM 0 HB THR A 366 59.464 -7.713 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.029 -8.007 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.792 -9.331 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.381 -10.065 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.059 -10.252 3.297 1.00 0.00 H new ATOM 439 N HIS A 367 61.970 -8.301 3.158 1.00 0.00 N ATOM 440 CA HIS A 367 63.054 -8.685 2.328 1.00 0.00 C ATOM 441 C HIS A 367 64.308 -8.391 3.035 1.00 0.00 C ATOM 442 O HIS A 367 64.451 -7.304 3.567 1.00 0.00 O ATOM 443 CB HIS A 367 62.986 -7.917 0.973 1.00 0.00 C ATOM 444 CG HIS A 367 61.893 -8.383 0.023 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.111 -7.499 -0.724 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.546 -9.640 -0.290 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.329 -8.290 -1.455 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.568 -9.573 -1.214 1.00 0.00 N ATOM 0 H HIS A 367 61.875 -7.292 3.276 1.00 0.00 H new ATOM 0 HA HIS A 367 63.004 -9.752 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.838 -6.857 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.948 -8.012 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.973 -10.542 0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.591 -7.932 -2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 367 60.096 -10.365 -1.650 1.00 0.00 H new ATOM 456 N SER A 368 65.199 -9.327 3.059 1.00 0.00 N ATOM 457 CA SER A 368 66.437 -9.131 3.715 1.00 0.00 C ATOM 458 C SER A 368 67.325 -8.211 2.958 1.00 0.00 C ATOM 459 O SER A 368 67.164 -8.039 1.748 1.00 0.00 O ATOM 460 CB SER A 368 67.092 -10.443 4.071 1.00 0.00 C ATOM 461 OG SER A 368 67.194 -11.292 2.958 1.00 0.00 O ATOM 0 H SER A 368 65.085 -10.243 2.625 1.00 0.00 H new ATOM 0 HA SER A 368 66.236 -8.631 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.086 -10.255 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.516 -10.937 4.854 1.00 0.00 H new ATOM 0 HG SER A 368 67.624 -12.131 3.225 1.00 0.00 H new ATOM 467 N LEU A 369 68.228 -7.596 3.682 1.00 0.00 N ATOM 468 CA LEU A 369 69.159 -6.616 3.190 1.00 0.00 C ATOM 469 C LEU A 369 69.811 -7.034 1.884 1.00 0.00 C ATOM 470 O LEU A 369 69.876 -6.235 0.929 1.00 0.00 O ATOM 471 CB LEU A 369 70.173 -6.319 4.310 1.00 0.00 C ATOM 472 CG LEU A 369 71.332 -5.339 4.046 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.460 -6.027 3.296 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.848 -4.178 3.217 1.00 0.00 C ATOM 0 H LEU A 369 68.337 -7.776 4.680 1.00 0.00 H new ATOM 0 HA LEU A 369 68.629 -5.697 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.613 -5.939 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.612 -7.270 4.613 1.00 0.00 H new ATOM 0 HG LEU A 369 71.698 -4.987 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.267 -5.316 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.834 -6.862 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.089 -6.397 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.674 -3.491 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.466 -4.545 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.053 -3.657 3.750 1.00 0.00 H new ATOM 486 N THR A 370 70.208 -8.272 1.803 1.00 0.00 N ATOM 487 CA THR A 370 70.885 -8.750 0.615 1.00 0.00 C ATOM 488 C THR A 370 69.944 -8.723 -0.588 1.00 0.00 C ATOM 489 O THR A 370 70.352 -8.424 -1.695 1.00 0.00 O ATOM 490 CB THR A 370 71.486 -10.158 0.808 1.00 0.00 C ATOM 491 OG1 THR A 370 72.390 -10.138 1.933 1.00 0.00 O ATOM 492 CG2 THR A 370 72.254 -10.576 -0.436 1.00 0.00 C ATOM 0 H THR A 370 70.079 -8.970 2.536 1.00 0.00 H new ATOM 0 HA THR A 370 71.718 -8.072 0.426 1.00 0.00 H new ATOM 0 HB THR A 370 70.678 -10.868 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.773 -11.031 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.673 -11.571 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.580 -10.590 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.060 -9.866 -0.621 1.00 0.00 H new ATOM 500 N GLN A 371 68.670 -8.901 -0.327 1.00 0.00 N ATOM 501 CA GLN A 371 67.680 -9.008 -1.390 1.00 0.00 C ATOM 502 C GLN A 371 67.397 -7.639 -1.943 1.00 0.00 C ATOM 503 O GLN A 371 67.014 -7.487 -3.101 1.00 0.00 O ATOM 504 CB GLN A 371 66.394 -9.624 -0.878 1.00 0.00 C ATOM 505 CG GLN A 371 66.636 -10.767 0.078 1.00 0.00 C ATOM 506 CD GLN A 371 65.415 -11.594 0.365 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.293 -10.971 0.376 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.499 -12.790 0.609 1.00 0.00 N flip ATOM 0 H GLN A 371 68.287 -8.976 0.615 1.00 0.00 H new ATOM 0 HA GLN A 371 68.079 -9.653 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.802 -8.857 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.805 -9.981 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.411 -11.413 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.020 -10.367 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.408 -13.252 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.660 -13.325 0.831 1.00 0.00 H new ATOM 517 N ARG A 372 67.581 -6.625 -1.105 1.00 0.00 N ATOM 518 CA ARG A 372 67.416 -5.275 -1.574 1.00 0.00 C ATOM 519 C ARG A 372 68.624 -4.891 -2.411 1.00 0.00 C ATOM 520 O ARG A 372 68.476 -4.273 -3.454 1.00 0.00 O ATOM 521 CB ARG A 372 67.237 -4.220 -0.486 1.00 0.00 C ATOM 522 CG ARG A 372 66.013 -4.302 0.410 1.00 0.00 C ATOM 523 CD ARG A 372 66.205 -5.319 1.487 1.00 0.00 C ATOM 524 NE ARG A 372 65.624 -4.932 2.749 1.00 0.00 N ATOM 525 CZ ARG A 372 66.256 -4.297 3.761 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.404 -3.669 3.556 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.699 -4.260 4.961 1.00 0.00 N ATOM 0 H ARG A 372 67.838 -6.718 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 372 66.488 -5.282 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.119 -4.251 0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.229 -3.243 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.819 -3.327 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.138 -4.560 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.765 -6.264 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.272 -5.495 1.625 1.00 0.00 H new ATOM 0 HE ARG A 372 64.640 -5.160 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.822 -3.661 2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.870 -3.194 4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.797 -4.709 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.172 -3.782 5.728 1.00 0.00 H new ATOM 541 N ARG A 373 69.840 -5.271 -1.928 1.00 0.00 N ATOM 542 CA ARG A 373 71.092 -5.026 -2.669 1.00 0.00 C ATOM 543 C ARG A 373 71.070 -5.761 -4.003 1.00 0.00 C ATOM 544 O ARG A 373 71.643 -5.311 -5.000 1.00 0.00 O ATOM 545 CB ARG A 373 72.304 -5.515 -1.864 1.00 0.00 C ATOM 546 CG ARG A 373 72.703 -4.635 -0.706 1.00 0.00 C ATOM 547 CD ARG A 373 73.947 -5.176 -0.012 1.00 0.00 C ATOM 548 NE ARG A 373 74.494 -4.208 0.944 1.00 0.00 N ATOM 549 CZ ARG A 373 75.282 -4.474 1.990 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.688 -5.709 2.247 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.658 -3.487 2.770 1.00 0.00 N ATOM 0 H ARG A 373 69.970 -5.744 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 373 71.174 -3.952 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.088 -6.513 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.155 -5.608 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.892 -3.623 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.882 -4.573 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.701 -6.102 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.704 -5.420 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 373 74.247 -3.230 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.399 -6.477 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.289 -5.891 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.349 -2.535 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.259 -3.672 3.573 1.00 0.00 H new ATOM 565 N ALA A 374 70.430 -6.905 -3.990 1.00 0.00 N ATOM 566 CA ALA A 374 70.284 -7.755 -5.172 1.00 0.00 C ATOM 567 C ALA A 374 69.522 -7.079 -6.332 1.00 0.00 C ATOM 568 O ALA A 374 69.817 -7.336 -7.498 1.00 0.00 O ATOM 569 CB ALA A 374 69.620 -9.074 -4.803 1.00 0.00 C ATOM 0 H ALA A 374 69.987 -7.286 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 374 71.295 -7.940 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.520 -9.693 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.231 -9.595 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.633 -8.880 -4.384 1.00 0.00 H new ATOM 575 N VAL A 375 68.580 -6.210 -6.030 1.00 0.00 N ATOM 576 CA VAL A 375 67.777 -5.600 -7.088 1.00 0.00 C ATOM 577 C VAL A 375 68.260 -4.178 -7.418 1.00 0.00 C ATOM 578 O VAL A 375 68.567 -3.384 -6.529 1.00 0.00 O ATOM 579 CB VAL A 375 66.252 -5.582 -6.742 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.960 -4.675 -5.563 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.425 -5.169 -7.949 1.00 0.00 C ATOM 0 H VAL A 375 68.349 -5.910 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 375 67.912 -6.226 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 375 65.970 -6.597 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.891 -4.687 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.507 -5.027 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.271 -3.658 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.368 -5.165 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.722 -4.171 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.590 -5.875 -8.762 1.00 0.00 H new ATOM 591 N GLN A 376 68.299 -3.868 -8.694 1.00 0.00 N ATOM 592 CA GLN A 376 68.689 -2.548 -9.182 1.00 0.00 C ATOM 593 C GLN A 376 67.450 -1.668 -9.476 1.00 0.00 C ATOM 594 O GLN A 376 67.400 -0.936 -10.473 1.00 0.00 O ATOM 595 CB GLN A 376 69.585 -2.695 -10.416 1.00 0.00 C ATOM 596 CG GLN A 376 69.065 -3.686 -11.438 1.00 0.00 C ATOM 597 CD GLN A 376 69.923 -3.791 -12.680 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.197 -3.555 -12.556 1.00 0.00 O flip ATOM 599 NE2 GLN A 376 69.426 -4.095 -13.755 1.00 0.00 N flip ATOM 0 H GLN A 376 68.060 -4.526 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 376 69.258 -2.040 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.694 -1.720 -10.892 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.579 -3.006 -10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.994 -4.669 -10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.055 -3.397 -11.729 1.00 0.00 H new ATOM 0 HE21 GLN A 376 68.424 -4.274 -13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.013 -4.169 -14.586 1.00 0.00 H new ATOM 608 N GLY A 377 66.480 -1.729 -8.569 1.00 0.00 N ATOM 609 CA GLY A 377 65.241 -0.951 -8.683 1.00 0.00 C ATOM 610 C GLY A 377 65.470 0.537 -8.629 1.00 0.00 C ATOM 611 O GLY A 377 64.943 1.289 -9.448 1.00 0.00 O ATOM 0 H GLY A 377 66.526 -2.315 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.746 -1.203 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.564 -1.238 -7.879 1.00 0.00 H new ATOM 615 N ARG A 378 66.297 0.951 -7.711 1.00 0.00 N ATOM 616 CA ARG A 378 66.565 2.352 -7.482 1.00 0.00 C ATOM 617 C ARG A 378 67.505 2.860 -8.535 1.00 0.00 C ATOM 618 O ARG A 378 68.064 2.089 -9.317 1.00 0.00 O ATOM 619 CB ARG A 378 67.244 2.521 -6.159 1.00 0.00 C ATOM 620 CG ARG A 378 66.602 1.776 -5.029 1.00 0.00 C ATOM 621 CD ARG A 378 67.676 1.250 -4.167 1.00 0.00 C ATOM 622 NE ARG A 378 67.099 0.264 -3.332 1.00 0.00 N ATOM 623 CZ ARG A 378 66.920 -0.989 -3.743 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.335 -1.346 -4.950 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.346 -1.876 -2.954 1.00 0.00 N ATOM 0 H ARG A 378 66.811 0.324 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 378 65.622 2.898 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.279 2.192 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.268 3.582 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.945 2.435 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.985 0.962 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.478 0.823 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.116 2.049 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 378 66.812 0.521 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.788 -0.662 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.202 -2.304 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.036 -1.604 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.212 -2.834 -3.276 1.00 0.00 H new ATOM 639 N ARG A 379 67.720 4.130 -8.514 1.00 0.00 N ATOM 640 CA ARG A 379 68.605 4.778 -9.451 1.00 0.00 C ATOM 641 C ARG A 379 70.069 4.675 -9.049 1.00 0.00 C ATOM 642 O ARG A 379 70.948 5.023 -9.824 1.00 0.00 O ATOM 643 CB ARG A 379 68.179 6.236 -9.652 1.00 0.00 C ATOM 644 CG ARG A 379 67.916 7.028 -8.387 1.00 0.00 C ATOM 645 CD ARG A 379 67.132 8.260 -8.742 1.00 0.00 C ATOM 646 NE ARG A 379 66.682 9.022 -7.582 1.00 0.00 N ATOM 647 CZ ARG A 379 65.612 9.823 -7.594 1.00 0.00 C ATOM 648 NH1 ARG A 379 64.854 9.912 -8.702 1.00 0.00 N ATOM 649 NH2 ARG A 379 65.293 10.519 -6.504 1.00 0.00 N ATOM 0 H ARG A 379 67.287 4.765 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 379 68.519 4.250 -10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.955 6.746 -10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.275 6.250 -10.261 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.362 6.422 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.857 7.303 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.747 8.903 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.264 7.970 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 379 67.213 8.939 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.096 9.369 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.037 10.523 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 379 65.865 10.440 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 379 64.477 11.131 -6.510 1.00 0.00 H new ATOM 663 N LYS A 380 70.337 4.198 -7.842 1.00 0.00 N ATOM 664 CA LYS A 380 71.666 4.124 -7.329 1.00 0.00 C ATOM 665 C LYS A 380 71.812 2.788 -6.633 1.00 0.00 C ATOM 666 O LYS A 380 70.860 1.985 -6.637 1.00 0.00 O ATOM 667 CB LYS A 380 71.798 5.210 -6.294 1.00 0.00 C ATOM 668 CG LYS A 380 71.343 6.554 -6.763 1.00 0.00 C ATOM 669 CD LYS A 380 71.036 7.449 -5.614 1.00 0.00 C ATOM 670 CE LYS A 380 70.475 8.763 -6.129 1.00 0.00 C ATOM 671 NZ LYS A 380 70.294 9.760 -5.056 1.00 0.00 N ATOM 0 H LYS A 380 69.623 3.854 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 380 72.413 4.234 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.222 4.930 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.841 5.278 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 380 72.116 7.007 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.457 6.443 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.317 6.971 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.938 7.631 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 380 71.145 9.168 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.517 8.579 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 69.909 10.638 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.634 9.388 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 71.211 9.958 -4.608 1.00 0.00 H new ATOM 685 N ARG A 381 72.982 2.547 -6.041 1.00 0.00 N ATOM 686 CA ARG A 381 73.217 1.386 -5.189 1.00 0.00 C ATOM 687 C ARG A 381 72.204 1.387 -4.089 1.00 0.00 C ATOM 688 O ARG A 381 71.677 2.429 -3.725 1.00 0.00 O ATOM 689 CB ARG A 381 74.627 1.436 -4.562 1.00 0.00 C ATOM 690 CG ARG A 381 75.765 1.328 -5.544 1.00 0.00 C ATOM 691 CD ARG A 381 75.648 0.041 -6.282 1.00 0.00 C ATOM 692 NE ARG A 381 76.677 -0.169 -7.302 1.00 0.00 N ATOM 693 CZ ARG A 381 76.634 -1.151 -8.226 1.00 0.00 C ATOM 694 NH1 ARG A 381 75.609 -2.010 -8.248 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.608 -1.269 -9.112 1.00 0.00 N ATOM 0 H ARG A 381 73.795 3.155 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 381 73.136 0.484 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.730 2.371 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.715 0.627 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.741 2.165 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.720 1.376 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 381 75.691 -0.779 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 381 74.668 -0.003 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 381 77.475 0.466 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 381 74.857 -1.924 -7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 381 75.580 -2.751 -8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.393 -0.617 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 381 77.575 -2.012 -9.810 1.00 0.00 H new ATOM 709 N PHE A 382 71.951 0.269 -3.541 1.00 0.00 N ATOM 710 CA PHE A 382 70.956 0.195 -2.527 1.00 0.00 C ATOM 711 C PHE A 382 71.412 0.872 -1.252 1.00 0.00 C ATOM 712 O PHE A 382 70.673 1.602 -0.647 1.00 0.00 O ATOM 713 CB PHE A 382 70.502 -1.238 -2.266 1.00 0.00 C ATOM 714 CG PHE A 382 69.663 -1.343 -1.033 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.564 -0.547 -0.898 1.00 0.00 C ATOM 716 CD2 PHE A 382 69.996 -2.175 -0.002 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.801 -0.564 0.204 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.228 -2.187 1.132 1.00 0.00 C ATOM 719 CZ PHE A 382 68.129 -1.378 1.221 1.00 0.00 C ATOM 0 H PHE A 382 72.411 -0.612 -3.768 1.00 0.00 H new ATOM 0 HA PHE A 382 70.087 0.739 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.934 -1.600 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.375 -1.883 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.300 0.119 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.859 -2.819 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.930 0.071 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.490 -2.835 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.521 -1.394 2.114 1.00 0.00 H new ATOM 729 N ASP A 383 72.622 0.668 -0.907 1.00 0.00 N ATOM 730 CA ASP A 383 73.185 1.201 0.328 1.00 0.00 C ATOM 731 C ASP A 383 73.280 2.690 0.273 1.00 0.00 C ATOM 732 O ASP A 383 73.010 3.373 1.253 1.00 0.00 O ATOM 733 CB ASP A 383 74.560 0.659 0.570 1.00 0.00 C ATOM 734 CG ASP A 383 74.588 -0.800 0.933 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.600 -1.661 0.032 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.626 -1.115 2.135 1.00 0.00 O ATOM 0 H ASP A 383 73.281 0.123 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 383 72.519 0.899 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.162 0.811 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.029 1.231 1.371 1.00 0.00 H new ATOM 741 N VAL A 384 73.637 3.186 -0.889 1.00 0.00 N ATOM 742 CA VAL A 384 73.824 4.599 -1.104 1.00 0.00 C ATOM 743 C VAL A 384 72.473 5.295 -1.053 1.00 0.00 C ATOM 744 O VAL A 384 72.338 6.418 -0.571 1.00 0.00 O ATOM 745 CB VAL A 384 74.535 4.826 -2.459 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.632 4.706 -3.652 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.350 6.078 -2.495 1.00 0.00 C ATOM 0 H VAL A 384 73.807 2.615 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 384 74.454 5.023 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 384 75.236 3.995 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.207 4.879 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.198 3.706 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.834 5.446 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.822 6.177 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.705 6.938 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 384 76.119 6.034 -1.724 1.00 0.00 H new ATOM 757 N LEU A 385 71.491 4.577 -1.521 1.00 0.00 N ATOM 758 CA LEU A 385 70.154 4.971 -1.544 1.00 0.00 C ATOM 759 C LEU A 385 69.570 4.882 -0.125 1.00 0.00 C ATOM 760 O LEU A 385 68.844 5.765 0.328 1.00 0.00 O ATOM 761 CB LEU A 385 69.439 4.016 -2.514 1.00 0.00 C ATOM 762 CG LEU A 385 68.008 4.262 -2.824 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.220 3.636 -1.750 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.753 5.740 -2.889 1.00 0.00 C ATOM 0 H LEU A 385 71.636 3.648 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 385 70.032 6.002 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.989 4.027 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.522 3.008 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 385 67.729 3.838 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.158 3.793 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.429 2.567 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.489 4.084 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.702 5.918 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.998 6.194 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.373 6.182 -3.669 1.00 0.00 H new ATOM 776 N LEU A 386 69.865 3.790 0.552 1.00 0.00 N ATOM 777 CA LEU A 386 69.389 3.572 1.898 1.00 0.00 C ATOM 778 C LEU A 386 69.971 4.633 2.800 1.00 0.00 C ATOM 779 O LEU A 386 69.365 5.007 3.780 1.00 0.00 O ATOM 780 CB LEU A 386 69.822 2.229 2.417 1.00 0.00 C ATOM 781 CG LEU A 386 68.779 1.340 3.132 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.469 0.184 3.813 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.915 2.096 4.124 1.00 0.00 C ATOM 0 H LEU A 386 70.440 3.032 0.183 1.00 0.00 H new ATOM 0 HA LEU A 386 68.300 3.615 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.219 1.661 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.648 2.392 3.109 1.00 0.00 H new ATOM 0 HG LEU A 386 68.103 0.971 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.728 -0.438 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.000 -0.412 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.179 0.565 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.207 1.409 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.547 2.539 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.369 2.884 3.605 1.00 0.00 H new ATOM 795 N ALA A 387 71.155 5.110 2.455 1.00 0.00 N ATOM 796 CA ALA A 387 71.789 6.179 3.194 1.00 0.00 C ATOM 797 C ALA A 387 70.921 7.428 3.138 1.00 0.00 C ATOM 798 O ALA A 387 70.793 8.147 4.121 1.00 0.00 O ATOM 799 CB ALA A 387 73.159 6.454 2.633 1.00 0.00 C ATOM 0 H ALA A 387 71.697 4.768 1.661 1.00 0.00 H new ATOM 0 HA ALA A 387 71.901 5.880 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.628 7.261 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.771 5.555 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.072 6.746 1.586 1.00 0.00 H new ATOM 805 N GLU A 388 70.281 7.649 1.994 1.00 0.00 N ATOM 806 CA GLU A 388 69.366 8.747 1.820 1.00 0.00 C ATOM 807 C GLU A 388 68.143 8.496 2.679 1.00 0.00 C ATOM 808 O GLU A 388 67.601 9.413 3.304 1.00 0.00 O ATOM 809 CB GLU A 388 68.933 8.850 0.374 1.00 0.00 C ATOM 810 CG GLU A 388 70.056 8.926 -0.629 1.00 0.00 C ATOM 811 CD GLU A 388 69.563 9.355 -1.982 1.00 0.00 C ATOM 812 OE1 GLU A 388 69.344 10.568 -2.180 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.378 8.519 -2.874 1.00 0.00 O ATOM 0 H GLU A 388 70.390 7.064 1.166 1.00 0.00 H new ATOM 0 HA GLU A 388 69.860 9.675 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.312 7.987 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.306 9.735 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.812 9.628 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.539 7.952 -0.709 1.00 0.00 H new ATOM 820 N HIS A 389 67.732 7.232 2.720 1.00 0.00 N ATOM 821 CA HIS A 389 66.628 6.813 3.541 1.00 0.00 C ATOM 822 C HIS A 389 66.919 7.060 4.972 1.00 0.00 C ATOM 823 O HIS A 389 66.127 7.571 5.623 1.00 0.00 O ATOM 824 CB HIS A 389 66.265 5.360 3.333 1.00 0.00 C ATOM 825 CG HIS A 389 65.144 4.921 4.189 1.00 0.00 C ATOM 826 ND1 HIS A 389 65.146 4.064 5.192 1.00 0.00 N flip ATOM 827 CD2 HIS A 389 63.922 5.487 4.174 1.00 0.00 C flip ATOM 828 CE1 HIS A 389 63.944 4.120 5.786 1.00 0.00 C flip ATOM 829 NE2 HIS A 389 63.225 5.003 5.157 1.00 0.00 N flip ATOM 0 H HIS A 389 68.162 6.480 2.182 1.00 0.00 H new ATOM 0 HA HIS A 389 65.769 7.410 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.001 5.203 2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.137 4.739 3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 389 63.578 6.222 3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 389 63.629 3.535 6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 389 62.270 5.271 5.397 1.00 0.00 H new ATOM 838 N LYS A 390 68.043 6.652 5.440 1.00 0.00 N ATOM 839 CA LYS A 390 68.413 6.863 6.817 1.00 0.00 C ATOM 840 C LYS A 390 68.665 8.295 7.117 1.00 0.00 C ATOM 841 O LYS A 390 68.538 8.705 8.229 1.00 0.00 O ATOM 842 CB LYS A 390 69.532 5.973 7.186 1.00 0.00 C ATOM 843 CG LYS A 390 69.214 4.537 6.799 1.00 0.00 C ATOM 844 CD LYS A 390 67.874 4.062 7.395 1.00 0.00 C ATOM 845 CE LYS A 390 68.041 3.670 8.821 1.00 0.00 C ATOM 846 NZ LYS A 390 69.046 2.587 9.002 1.00 0.00 N ATOM 0 H LYS A 390 68.744 6.159 4.887 1.00 0.00 H new ATOM 0 HA LYS A 390 67.569 6.592 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.444 6.298 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.717 6.035 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.178 4.454 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.016 3.883 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.133 4.857 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.495 3.216 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.343 4.542 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.081 3.340 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 68.821 2.044 9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.027 1.954 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 69.994 3.005 9.096 1.00 0.00 H new ATOM 860 N ASN A 391 69.050 9.048 6.147 1.00 0.00 N ATOM 861 CA ASN A 391 69.125 10.466 6.364 1.00 0.00 C ATOM 862 C ASN A 391 67.721 11.046 6.650 1.00 0.00 C ATOM 863 O ASN A 391 67.575 11.978 7.440 1.00 0.00 O ATOM 864 CB ASN A 391 69.808 11.201 5.215 1.00 0.00 C ATOM 865 CG ASN A 391 71.297 11.383 5.412 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.738 12.375 5.984 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.077 10.447 4.949 1.00 0.00 N ATOM 0 H ASN A 391 69.314 8.726 5.216 1.00 0.00 H new ATOM 0 HA ASN A 391 69.751 10.625 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.637 10.650 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.344 12.180 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.088 10.526 5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.676 9.636 4.479 1.00 0.00 H new ATOM 874 N LYS A 392 66.700 10.459 6.030 1.00 0.00 N ATOM 875 CA LYS A 392 65.319 10.852 6.240 1.00 0.00 C ATOM 876 C LYS A 392 64.677 10.041 7.385 1.00 0.00 C ATOM 877 O LYS A 392 64.348 10.563 8.442 1.00 0.00 O ATOM 878 CB LYS A 392 64.531 10.583 4.962 1.00 0.00 C ATOM 879 CG LYS A 392 63.064 10.906 5.081 1.00 0.00 C ATOM 880 CD LYS A 392 62.795 12.399 5.196 1.00 0.00 C ATOM 881 CE LYS A 392 61.298 12.679 5.280 1.00 0.00 C ATOM 882 NZ LYS A 392 60.563 12.161 4.101 1.00 0.00 N ATOM 0 H LYS A 392 66.814 9.694 5.365 1.00 0.00 H new ATOM 0 HA LYS A 392 65.298 11.910 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.960 11.170 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.643 9.534 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.539 10.513 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.655 10.400 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.293 12.795 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.218 12.916 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 392 60.896 12.224 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.135 13.754 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 59.620 12.597 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.089 12.393 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.464 11.129 4.180 1.00 0.00 H new ATOM 896 N THR A 393 64.548 8.766 7.150 1.00 0.00 N ATOM 897 CA THR A 393 63.919 7.837 8.009 1.00 0.00 C ATOM 898 C THR A 393 64.944 6.808 8.537 1.00 0.00 C ATOM 899 O THR A 393 65.061 5.666 8.097 1.00 0.00 O ATOM 900 CB THR A 393 62.828 7.123 7.290 1.00 0.00 C ATOM 901 OG1 THR A 393 61.958 8.083 6.652 1.00 0.00 O ATOM 902 CG2 THR A 393 62.040 6.247 8.247 1.00 0.00 C ATOM 0 H THR A 393 64.905 8.334 6.298 1.00 0.00 H new ATOM 0 HA THR A 393 63.497 8.385 8.851 1.00 0.00 H new ATOM 0 HB THR A 393 63.269 6.480 6.528 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.242 7.611 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.248 5.734 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.705 5.511 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.600 6.866 9.029 1.00 0.00 H new ATOM 910 N ARG A 394 65.775 7.352 9.265 1.00 0.00 N ATOM 911 CA ARG A 394 66.800 6.746 10.094 1.00 0.00 C ATOM 912 C ARG A 394 66.228 5.765 11.116 1.00 0.00 C ATOM 913 O ARG A 394 66.940 4.890 11.624 1.00 0.00 O ATOM 914 CB ARG A 394 67.553 7.886 10.786 1.00 0.00 C ATOM 915 CG ARG A 394 68.822 7.532 11.533 1.00 0.00 C ATOM 916 CD ARG A 394 69.700 6.576 10.783 1.00 0.00 C ATOM 917 NE ARG A 394 70.847 6.110 11.573 1.00 0.00 N ATOM 918 CZ ARG A 394 72.050 5.773 11.078 1.00 0.00 C ATOM 919 NH1 ARG A 394 72.366 6.071 9.822 1.00 0.00 N ATOM 920 NH2 ARG A 394 72.955 5.192 11.863 1.00 0.00 N ATOM 0 H ARG A 394 65.800 8.369 9.341 1.00 0.00 H new ATOM 0 HA ARG A 394 67.470 6.155 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 394 67.804 8.631 10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 394 66.870 8.362 11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 394 69.382 8.444 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.559 7.095 12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.108 5.716 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 394 70.063 7.060 9.876 1.00 0.00 H new ATOM 0 HE ARG A 394 70.720 6.036 12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.694 6.558 9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 394 73.281 5.813 9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 394 72.735 5.002 12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 394 73.868 4.936 11.486 1.00 0.00 H new ATOM 934 N GLU A 395 64.971 5.896 11.385 1.00 0.00 N ATOM 935 CA GLU A 395 64.306 5.072 12.346 1.00 0.00 C ATOM 936 C GLU A 395 64.038 3.658 11.848 1.00 0.00 C ATOM 937 O GLU A 395 63.008 3.356 11.240 1.00 0.00 O ATOM 938 CB GLU A 395 63.062 5.746 12.852 1.00 0.00 C ATOM 939 CG GLU A 395 63.375 6.997 13.637 1.00 0.00 C ATOM 940 CD GLU A 395 62.144 7.753 14.016 1.00 0.00 C ATOM 941 OE1 GLU A 395 61.486 7.383 15.003 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.807 8.746 13.331 1.00 0.00 O ATOM 0 H GLU A 395 64.367 6.586 10.939 1.00 0.00 H new ATOM 0 HA GLU A 395 64.990 4.950 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 395 62.418 5.998 12.009 1.00 0.00 H new ATOM 0 HB3 GLU A 395 62.505 5.053 13.482 1.00 0.00 H new ATOM 0 HG2 GLU A 395 63.926 6.729 14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.026 7.641 13.045 1.00 0.00 H new ATOM 949 N LYS A 396 65.031 2.857 12.016 1.00 0.00 N ATOM 950 CA LYS A 396 64.981 1.446 11.810 1.00 0.00 C ATOM 951 C LYS A 396 65.415 0.834 13.096 1.00 0.00 C ATOM 952 O LYS A 396 64.604 0.209 13.798 1.00 0.00 O ATOM 953 CB LYS A 396 65.902 1.044 10.671 1.00 0.00 C ATOM 954 CG LYS A 396 66.212 -0.414 10.578 1.00 0.00 C ATOM 955 CD LYS A 396 67.135 -0.636 9.439 1.00 0.00 C ATOM 956 CE LYS A 396 67.410 -2.107 9.200 1.00 0.00 C ATOM 957 NZ LYS A 396 66.199 -2.821 8.737 1.00 0.00 N ATOM 0 H LYS A 396 65.950 3.182 12.317 1.00 0.00 H new ATOM 0 HA LYS A 396 63.982 1.110 11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 396 65.449 1.362 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 396 66.839 1.591 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 396 66.667 -0.763 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 396 65.295 -0.986 10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 396 66.708 -0.197 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.075 -0.119 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 396 68.201 -2.214 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 396 67.772 -2.564 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 66.478 -3.690 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 65.606 -3.066 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 65.661 -2.209 8.091 1.00 0.00 H new ATOM 971 N GLU A 397 66.703 1.093 13.425 1.00 0.00 N ATOM 972 CA GLU A 397 67.346 0.728 14.647 1.00 0.00 C ATOM 973 C GLU A 397 67.030 -0.703 14.980 1.00 0.00 C ATOM 974 O GLU A 397 66.537 -1.053 16.052 1.00 0.00 O ATOM 975 CB GLU A 397 66.972 1.738 15.700 1.00 0.00 C ATOM 976 CG GLU A 397 67.218 3.146 15.213 1.00 0.00 C ATOM 977 CD GLU A 397 66.888 4.228 16.193 1.00 0.00 C ATOM 978 OE1 GLU A 397 65.754 4.739 16.178 1.00 0.00 O ATOM 979 OE2 GLU A 397 67.783 4.646 16.943 1.00 0.00 O ATOM 0 H GLU A 397 67.329 1.590 12.791 1.00 0.00 H new ATOM 0 HA GLU A 397 68.433 0.759 14.569 1.00 0.00 H new ATOM 0 HB2 GLU A 397 65.921 1.620 15.965 1.00 0.00 H new ATOM 0 HB3 GLU A 397 67.552 1.556 16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 397 68.268 3.238 14.935 1.00 0.00 H new ATOM 0 HG3 GLU A 397 66.633 3.307 14.308 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.690 -5.485 -0.229 1.00 0.00 ZN