USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 346 HIS : no HD1:sc= -1.61 K(o=-1.2,f=-4.7) USER MOD Set 1.2: A 359 THR OG1 : rot 88:sc= 0.426 USER MOD Set 2.1: A 347 CYS SG : rot 172:sc= -1.06 USER MOD Set 2.2: A 358 CYS SG : rot 140:sc= -0.81 USER MOD Set 2.3: A 364 CYS SG : rot 134:sc= 0.793 USER MOD Set 2.4: A 366 THR OG1 : rot -150:sc= 0.00257 USER MOD Set 2.5: A 367 HIS : no HE2:sc= -1.54 K(o=-2.7,f=-4.8!) USER MOD Set 2.6: A 371 GLN :FLIP amide:sc= -0.103 F(o=-4.8,f=-2.7) USER MOD Single : A 354 THR OG1 : rot -120:sc= -2.58 USER MOD Single : A 355 LYS NZ :NH3+ 175:sc= -1.23 (180deg=-1.33) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -47:sc= 0.621 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 180:sc= -0.729 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 HIS : no HE2:sc= -7.04! C(o=-7!,f=-6.8!) USER MOD Single : A 390 LYS NZ :NH3+ -163:sc= -0.242 (180deg=-0.81) USER MOD Single : A 391 ASN : amide:sc= 1.13 K(o=1.1,f=-0.037) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.408 1.735 -7.215 1.00 0.00 N ATOM 41 CA PHE A 341 55.778 1.248 -6.997 1.00 0.00 C ATOM 42 C PHE A 341 56.796 2.189 -7.612 1.00 0.00 C ATOM 43 O PHE A 341 56.808 2.443 -8.833 1.00 0.00 O ATOM 44 CB PHE A 341 56.011 -0.119 -7.643 1.00 0.00 C ATOM 45 CG PHE A 341 57.460 -0.446 -7.653 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.126 -0.641 -6.480 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.157 -0.507 -8.832 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.445 -0.892 -6.471 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.491 -0.762 -8.836 1.00 0.00 C ATOM 50 CZ PHE A 341 60.142 -0.954 -7.656 1.00 0.00 C ATOM 0 HA PHE A 341 55.898 1.184 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.462 -0.885 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.625 -0.117 -8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.586 -0.593 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.640 -0.351 -9.767 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.959 -1.045 -5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.032 -0.812 -9.769 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.203 -1.155 -7.650 1.00 0.00 H new ATOM 60 N ASP A 342 57.616 2.681 -6.761 1.00 0.00 N ATOM 61 CA ASP A 342 58.602 3.656 -7.117 1.00 0.00 C ATOM 62 C ASP A 342 59.944 3.000 -7.048 1.00 0.00 C ATOM 63 O ASP A 342 60.472 2.832 -5.971 1.00 0.00 O ATOM 64 CB ASP A 342 58.617 4.882 -6.151 1.00 0.00 C ATOM 65 CG ASP A 342 57.331 5.670 -6.053 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.104 6.585 -6.893 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.574 5.475 -5.099 1.00 0.00 O ATOM 0 H ASP A 342 57.629 2.419 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 342 58.363 4.021 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.879 4.529 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.410 5.559 -6.469 1.00 0.00 H new ATOM 72 N PRO A 343 60.522 2.568 -8.160 1.00 0.00 N ATOM 73 CA PRO A 343 61.809 1.907 -8.121 1.00 0.00 C ATOM 74 C PRO A 343 62.922 2.794 -7.640 1.00 0.00 C ATOM 75 O PRO A 343 63.794 2.340 -6.935 1.00 0.00 O ATOM 76 CB PRO A 343 62.066 1.462 -9.542 1.00 0.00 C ATOM 77 CG PRO A 343 61.167 2.291 -10.383 1.00 0.00 C ATOM 78 CD PRO A 343 59.974 2.629 -9.529 1.00 0.00 C ATOM 0 HA PRO A 343 61.785 1.081 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.110 1.611 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.852 0.400 -9.666 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.674 3.196 -10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.862 1.748 -11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.577 3.617 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.161 1.917 -9.671 1.00 0.00 H new ATOM 86 N ASP A 344 62.845 4.073 -7.958 1.00 0.00 N ATOM 87 CA ASP A 344 63.920 5.010 -7.628 1.00 0.00 C ATOM 88 C ASP A 344 64.037 5.206 -6.145 1.00 0.00 C ATOM 89 O ASP A 344 65.098 5.609 -5.640 1.00 0.00 O ATOM 90 CB ASP A 344 63.700 6.398 -8.240 1.00 0.00 C ATOM 91 CG ASP A 344 63.622 6.438 -9.737 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.651 6.288 -10.404 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.527 6.701 -10.266 1.00 0.00 O ATOM 0 H ASP A 344 62.053 4.493 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 344 64.825 4.562 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.777 6.813 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.512 7.051 -7.918 1.00 0.00 H new ATOM 98 N ILE A 345 62.966 4.925 -5.452 1.00 0.00 N ATOM 99 CA ILE A 345 62.890 5.244 -4.048 1.00 0.00 C ATOM 100 C ILE A 345 62.666 3.987 -3.193 1.00 0.00 C ATOM 101 O ILE A 345 63.198 3.871 -2.106 1.00 0.00 O ATOM 102 CB ILE A 345 61.765 6.337 -3.769 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.487 5.738 -3.190 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.443 7.119 -5.036 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.379 6.742 -2.917 1.00 0.00 C ATOM 0 H ILE A 345 62.134 4.476 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 345 63.851 5.669 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 345 62.175 7.013 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.111 4.983 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.732 5.226 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.672 7.859 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.342 7.623 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.084 6.435 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.512 6.224 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.730 7.485 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 345 59.100 7.238 -3.847 1.00 0.00 H new ATOM 117 N HIS A 346 61.925 3.043 -3.710 1.00 0.00 N ATOM 118 CA HIS A 346 61.511 1.901 -2.944 1.00 0.00 C ATOM 119 C HIS A 346 62.332 0.657 -3.157 1.00 0.00 C ATOM 120 O HIS A 346 63.301 0.627 -3.899 1.00 0.00 O ATOM 121 CB HIS A 346 60.025 1.620 -3.140 1.00 0.00 C ATOM 122 CG HIS A 346 59.147 2.551 -2.373 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.174 3.284 -2.983 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.131 2.810 -1.046 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.586 3.982 -2.013 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.134 3.721 -0.831 1.00 0.00 N ATOM 0 H HIS A 346 61.592 3.045 -4.674 1.00 0.00 H new ATOM 0 HA HIS A 346 61.693 2.179 -1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.784 1.694 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.812 0.595 -2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.781 2.380 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.769 4.671 -2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.863 4.124 0.066 1.00 0.00 H new ATOM 134 N CYS A 347 61.903 -0.372 -2.463 1.00 0.00 N ATOM 135 CA CYS A 347 62.568 -1.668 -2.390 1.00 0.00 C ATOM 136 C CYS A 347 62.786 -2.335 -3.760 1.00 0.00 C ATOM 137 O CYS A 347 63.842 -2.878 -3.992 1.00 0.00 O ATOM 138 CB CYS A 347 61.767 -2.563 -1.420 1.00 0.00 C ATOM 139 SG CYS A 347 62.433 -4.248 -1.024 1.00 0.00 S ATOM 0 H CYS A 347 61.047 -0.335 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 347 63.579 -1.517 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.657 -2.020 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.767 -2.690 -1.834 1.00 0.00 H new ATOM 0 HG CYS A 347 61.731 -4.778 -0.067 1.00 0.00 H new ATOM 144 N GLY A 348 61.773 -2.385 -4.594 1.00 0.00 N ATOM 145 CA GLY A 348 61.954 -2.941 -5.937 1.00 0.00 C ATOM 146 C GLY A 348 62.123 -4.437 -6.003 1.00 0.00 C ATOM 147 O GLY A 348 62.208 -4.992 -7.078 1.00 0.00 O ATOM 0 H GLY A 348 60.830 -2.058 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.093 -2.663 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.829 -2.474 -6.390 1.00 0.00 H new ATOM 151 N VAL A 349 62.107 -5.096 -4.876 1.00 0.00 N ATOM 152 CA VAL A 349 62.303 -6.529 -4.876 1.00 0.00 C ATOM 153 C VAL A 349 60.989 -7.085 -5.038 1.00 0.00 C ATOM 154 O VAL A 349 60.130 -6.871 -4.187 1.00 0.00 O ATOM 155 CB VAL A 349 62.918 -7.115 -3.569 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.256 -8.595 -3.740 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.128 -6.356 -3.093 1.00 0.00 C ATOM 0 H VAL A 349 61.963 -4.677 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 349 63.015 -6.776 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 349 62.153 -7.007 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.684 -8.980 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.349 -9.150 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.977 -8.712 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.509 -6.814 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.900 -6.383 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.852 -5.321 -2.892 1.00 0.00 H new ATOM 167 N ILE A 350 60.799 -7.709 -6.121 1.00 0.00 N ATOM 168 CA ILE A 350 59.578 -8.304 -6.401 1.00 0.00 C ATOM 169 C ILE A 350 59.301 -9.376 -5.399 1.00 0.00 C ATOM 170 O ILE A 350 60.091 -10.303 -5.193 1.00 0.00 O ATOM 171 CB ILE A 350 59.474 -8.727 -7.853 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.469 -7.422 -8.676 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.251 -9.594 -8.073 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.042 -7.527 -10.106 1.00 0.00 C ATOM 0 H ILE A 350 61.504 -7.821 -6.850 1.00 0.00 H new ATOM 0 HA ILE A 350 58.775 -7.576 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 350 60.311 -9.350 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.813 -6.709 -8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.474 -7.001 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.196 -9.886 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.321 -10.486 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.355 -9.034 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.083 -6.542 -10.571 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.709 -8.207 -10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.022 -7.909 -10.154 1.00 0.00 H new ATOM 186 N ASP A 351 58.210 -9.181 -4.754 1.00 0.00 N ATOM 187 CA ASP A 351 57.844 -9.896 -3.591 1.00 0.00 C ATOM 188 C ASP A 351 57.308 -11.206 -4.016 1.00 0.00 C ATOM 189 O ASP A 351 56.484 -11.263 -4.879 1.00 0.00 O ATOM 190 CB ASP A 351 56.770 -9.082 -2.912 1.00 0.00 C ATOM 191 CG ASP A 351 56.612 -9.339 -1.452 1.00 0.00 C ATOM 192 OD1 ASP A 351 55.810 -10.217 -1.079 1.00 0.00 O ATOM 193 OD2 ASP A 351 57.260 -8.617 -0.638 1.00 0.00 O ATOM 0 H ASP A 351 57.518 -8.487 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 351 58.681 -10.059 -2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.990 -8.024 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.819 -9.280 -3.405 1.00 0.00 H new ATOM 198 N LEU A 352 57.786 -12.248 -3.461 1.00 0.00 N ATOM 199 CA LEU A 352 57.338 -13.559 -3.840 1.00 0.00 C ATOM 200 C LEU A 352 56.008 -13.910 -3.218 1.00 0.00 C ATOM 201 O LEU A 352 55.299 -14.784 -3.711 1.00 0.00 O ATOM 202 CB LEU A 352 58.416 -14.564 -3.520 1.00 0.00 C ATOM 203 CG LEU A 352 59.459 -14.856 -4.616 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.920 -15.876 -5.595 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.848 -13.601 -5.395 1.00 0.00 C ATOM 0 H LEU A 352 58.498 -12.235 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 352 57.162 -13.576 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.947 -14.218 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.932 -15.504 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 352 60.344 -15.239 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.667 -16.073 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.690 -16.801 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.013 -15.490 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.585 -13.859 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.963 -13.181 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.273 -12.866 -4.712 1.00 0.00 H new ATOM 217 N ASP A 353 55.644 -13.198 -2.181 1.00 0.00 N ATOM 218 CA ASP A 353 54.389 -13.429 -1.517 1.00 0.00 C ATOM 219 C ASP A 353 53.267 -12.750 -2.231 1.00 0.00 C ATOM 220 O ASP A 353 52.166 -13.292 -2.340 1.00 0.00 O ATOM 221 CB ASP A 353 54.424 -12.962 -0.074 1.00 0.00 C ATOM 222 CG ASP A 353 55.137 -13.906 0.835 1.00 0.00 C ATOM 223 OD1 ASP A 353 54.509 -14.874 1.298 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.326 -13.691 1.124 1.00 0.00 O ATOM 0 H ASP A 353 56.205 -12.448 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 353 54.221 -14.506 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.909 -11.987 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.403 -12.828 0.282 1.00 0.00 H new ATOM 229 N THR A 354 53.520 -11.567 -2.702 1.00 0.00 N ATOM 230 CA THR A 354 52.504 -10.817 -3.384 1.00 0.00 C ATOM 231 C THR A 354 52.685 -10.821 -4.907 1.00 0.00 C ATOM 232 O THR A 354 51.710 -10.745 -5.653 1.00 0.00 O ATOM 233 CB THR A 354 52.413 -9.402 -2.806 1.00 0.00 C ATOM 234 OG1 THR A 354 53.720 -8.846 -2.736 1.00 0.00 O ATOM 235 CG2 THR A 354 51.829 -9.426 -1.406 1.00 0.00 C ATOM 0 H THR A 354 54.422 -11.097 -2.628 1.00 0.00 H new ATOM 0 HA THR A 354 51.550 -11.314 -3.209 1.00 0.00 H new ATOM 0 HB THR A 354 51.768 -8.806 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.931 -8.623 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.775 -8.409 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.828 -9.857 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.464 -10.029 -0.757 1.00 0.00 H new ATOM 243 N LYS A 355 53.920 -10.952 -5.341 1.00 0.00 N ATOM 244 CA LYS A 355 54.303 -10.974 -6.752 1.00 0.00 C ATOM 245 C LYS A 355 53.995 -9.708 -7.445 1.00 0.00 C ATOM 246 O LYS A 355 53.227 -9.618 -8.409 1.00 0.00 O ATOM 247 CB LYS A 355 53.956 -12.253 -7.508 1.00 0.00 C ATOM 248 CG LYS A 355 54.794 -13.430 -7.057 1.00 0.00 C ATOM 249 CD LYS A 355 56.229 -13.318 -7.544 1.00 0.00 C ATOM 250 CE LYS A 355 56.436 -13.866 -8.957 1.00 0.00 C ATOM 251 NZ LYS A 355 55.504 -13.349 -9.984 1.00 0.00 N ATOM 0 H LYS A 355 54.715 -11.050 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 355 55.392 -11.028 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.901 -12.484 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.103 -12.093 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.783 -13.489 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.354 -14.354 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.532 -12.271 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.881 -13.854 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 355 57.455 -13.640 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 355 56.346 -14.952 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 55.779 -13.714 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 54.536 -13.659 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.540 -12.310 -9.994 1.00 0.00 H new ATOM 265 N LYS A 356 54.543 -8.735 -6.850 1.00 0.00 N ATOM 266 CA LYS A 356 54.507 -7.380 -7.239 1.00 0.00 C ATOM 267 C LYS A 356 55.825 -6.828 -6.790 1.00 0.00 C ATOM 268 O LYS A 356 56.547 -7.528 -6.076 1.00 0.00 O ATOM 269 CB LYS A 356 53.374 -6.719 -6.480 1.00 0.00 C ATOM 270 CG LYS A 356 53.616 -6.604 -4.998 1.00 0.00 C ATOM 271 CD LYS A 356 52.474 -5.941 -4.324 1.00 0.00 C ATOM 272 CE LYS A 356 52.785 -5.707 -2.862 1.00 0.00 C ATOM 273 NZ LYS A 356 51.625 -5.176 -2.133 1.00 0.00 N ATOM 0 H LYS A 356 55.082 -8.872 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 356 54.350 -7.225 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.209 -5.722 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.459 -7.288 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.768 -7.596 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.529 -6.036 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.258 -4.991 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.581 -6.558 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 356 53.104 -6.643 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 356 53.618 -5.010 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 51.879 -5.030 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 51.336 -4.270 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 50.837 -5.852 -2.194 1.00 0.00 H new ATOM 287 N PRO A 357 56.201 -5.624 -7.172 1.00 0.00 N ATOM 288 CA PRO A 357 57.399 -5.053 -6.674 1.00 0.00 C ATOM 289 C PRO A 357 57.229 -4.606 -5.277 1.00 0.00 C ATOM 290 O PRO A 357 56.201 -4.822 -4.643 1.00 0.00 O ATOM 291 CB PRO A 357 57.693 -3.891 -7.543 1.00 0.00 C ATOM 292 CG PRO A 357 56.518 -3.665 -8.422 1.00 0.00 C ATOM 293 CD PRO A 357 55.492 -4.730 -8.083 1.00 0.00 C ATOM 0 HA PRO A 357 58.210 -5.782 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.893 -3.005 -6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.585 -4.078 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.105 -2.669 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.805 -3.728 -9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.609 -4.298 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.153 -5.256 -8.975 1.00 0.00 H new ATOM 301 N CYS A 358 58.181 -3.936 -4.788 1.00 0.00 N ATOM 302 CA CYS A 358 58.140 -3.727 -3.475 1.00 0.00 C ATOM 303 C CYS A 358 58.294 -2.319 -3.129 1.00 0.00 C ATOM 304 O CYS A 358 59.395 -1.783 -3.114 1.00 0.00 O ATOM 305 CB CYS A 358 59.117 -4.564 -2.838 1.00 0.00 C ATOM 306 SG CYS A 358 58.829 -4.728 -1.119 1.00 0.00 S ATOM 0 H CYS A 358 58.973 -3.541 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 358 57.152 -4.000 -3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.106 -5.550 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.111 -4.147 -3.000 1.00 0.00 H new ATOM 0 HG CYS A 358 59.058 -5.955 -0.756 1.00 0.00 H new ATOM 311 N THR A 359 57.219 -1.733 -2.867 1.00 0.00 N ATOM 312 CA THR A 359 57.167 -0.358 -2.487 1.00 0.00 C ATOM 313 C THR A 359 56.870 -0.232 -0.986 1.00 0.00 C ATOM 314 O THR A 359 56.152 0.615 -0.539 1.00 0.00 O ATOM 315 CB THR A 359 56.209 0.465 -3.457 1.00 0.00 C ATOM 316 OG1 THR A 359 55.903 1.795 -3.046 1.00 0.00 O ATOM 317 CG2 THR A 359 54.945 -0.282 -3.785 1.00 0.00 C ATOM 0 H THR A 359 56.307 -2.188 -2.904 1.00 0.00 H new ATOM 0 HA THR A 359 58.142 0.110 -2.619 1.00 0.00 H new ATOM 0 HB THR A 359 56.811 0.572 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.586 2.409 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.327 0.322 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.195 -1.222 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.396 -0.489 -2.866 1.00 0.00 H new ATOM 325 N ARG A 360 57.533 -1.082 -0.204 1.00 0.00 N ATOM 326 CA ARG A 360 57.388 -1.022 1.229 1.00 0.00 C ATOM 327 C ARG A 360 58.090 0.180 1.758 1.00 0.00 C ATOM 328 O ARG A 360 57.472 1.165 2.152 1.00 0.00 O ATOM 329 CB ARG A 360 57.891 -2.290 1.903 1.00 0.00 C ATOM 330 CG ARG A 360 56.937 -3.428 1.695 1.00 0.00 C ATOM 331 CD ARG A 360 56.878 -4.341 2.873 1.00 0.00 C ATOM 332 NE ARG A 360 55.954 -5.455 2.620 1.00 0.00 N ATOM 333 CZ ARG A 360 55.160 -6.059 3.530 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.137 -5.650 4.800 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.386 -7.071 3.158 1.00 0.00 N ATOM 0 H ARG A 360 58.165 -1.807 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 360 56.326 -0.942 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.870 -2.554 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.021 -2.111 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.941 -3.032 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.238 -3.995 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.873 -4.729 3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.554 -3.786 3.754 1.00 0.00 H new ATOM 0 HE ARG A 360 55.908 -5.806 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.725 -4.870 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.532 -6.117 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.393 -7.389 2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 360 53.784 -7.531 3.841 1.00 0.00 H new ATOM 349 N SER A 361 59.371 0.116 1.684 1.00 0.00 N ATOM 350 CA SER A 361 60.219 1.146 2.118 1.00 0.00 C ATOM 351 C SER A 361 61.586 0.852 1.644 1.00 0.00 C ATOM 352 O SER A 361 61.840 -0.230 1.024 1.00 0.00 O ATOM 353 CB SER A 361 60.188 1.272 3.636 1.00 0.00 C ATOM 354 OG SER A 361 60.351 -0.005 4.247 1.00 0.00 O ATOM 0 H SER A 361 59.868 -0.690 1.304 1.00 0.00 H new ATOM 0 HA SER A 361 59.882 2.098 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.980 1.944 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.243 1.714 3.951 1.00 0.00 H new ATOM 0 HG SER A 361 60.331 0.094 5.222 1.00 0.00 H new ATOM 360 N LEU A 362 62.471 1.741 1.982 1.00 0.00 N ATOM 361 CA LEU A 362 63.831 1.688 1.615 1.00 0.00 C ATOM 362 C LEU A 362 64.559 0.776 2.603 1.00 0.00 C ATOM 363 O LEU A 362 65.731 0.531 2.491 1.00 0.00 O ATOM 364 CB LEU A 362 64.415 3.114 1.662 1.00 0.00 C ATOM 365 CG LEU A 362 63.726 4.224 0.791 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.372 4.677 1.343 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.627 5.433 0.576 1.00 0.00 C ATOM 0 H LEU A 362 62.240 2.557 2.548 1.00 0.00 H new ATOM 0 HA LEU A 362 63.949 1.294 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.399 3.447 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.461 3.056 1.362 1.00 0.00 H new ATOM 0 HG LEU A 362 63.544 3.748 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 362 61.952 5.445 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.693 3.826 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.505 5.084 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.105 6.172 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 362 64.883 5.872 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.538 5.121 0.066 1.00 0.00 H new ATOM 379 N THR A 363 63.808 0.281 3.565 1.00 0.00 N ATOM 380 CA THR A 363 64.312 -0.585 4.597 1.00 0.00 C ATOM 381 C THR A 363 63.298 -1.731 4.837 1.00 0.00 C ATOM 382 O THR A 363 63.158 -2.244 5.948 1.00 0.00 O ATOM 383 CB THR A 363 64.587 0.252 5.886 1.00 0.00 C ATOM 384 OG1 THR A 363 65.072 -0.553 6.965 1.00 0.00 O ATOM 385 CG2 THR A 363 63.359 1.025 6.321 1.00 0.00 C ATOM 0 H THR A 363 62.810 0.477 3.648 1.00 0.00 H new ATOM 0 HA THR A 363 65.257 -1.039 4.297 1.00 0.00 H new ATOM 0 HB THR A 363 65.370 0.964 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.511 -1.351 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.588 1.596 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.058 1.707 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.546 0.329 6.530 1.00 0.00 H new ATOM 393 N CYS A 364 62.640 -2.135 3.724 1.00 0.00 N ATOM 394 CA CYS A 364 61.666 -3.238 3.651 1.00 0.00 C ATOM 395 C CYS A 364 62.010 -4.396 4.602 1.00 0.00 C ATOM 396 O CYS A 364 63.069 -5.002 4.479 1.00 0.00 O ATOM 397 CB CYS A 364 61.724 -3.791 2.273 1.00 0.00 C ATOM 398 SG CYS A 364 60.720 -5.254 2.034 1.00 0.00 S ATOM 0 H CYS A 364 62.782 -1.681 2.822 1.00 0.00 H new ATOM 0 HA CYS A 364 60.689 -2.840 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.402 -3.023 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.760 -4.030 2.031 1.00 0.00 H new ATOM 0 HG CYS A 364 60.044 -5.140 0.930 1.00 0.00 H new ATOM 403 N LYS A 365 61.076 -4.742 5.442 1.00 0.00 N ATOM 404 CA LYS A 365 61.246 -5.692 6.517 1.00 0.00 C ATOM 405 C LYS A 365 61.083 -7.141 6.038 1.00 0.00 C ATOM 406 O LYS A 365 61.529 -8.082 6.687 1.00 0.00 O ATOM 407 CB LYS A 365 60.182 -5.315 7.544 1.00 0.00 C ATOM 408 CG LYS A 365 60.210 -6.040 8.856 1.00 0.00 C ATOM 409 CD LYS A 365 59.173 -5.440 9.818 1.00 0.00 C ATOM 410 CE LYS A 365 57.721 -5.598 9.323 1.00 0.00 C ATOM 411 NZ LYS A 365 57.232 -6.985 9.444 1.00 0.00 N ATOM 0 H LYS A 365 60.133 -4.356 5.399 1.00 0.00 H new ATOM 0 HA LYS A 365 62.252 -5.649 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.270 -4.247 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.203 -5.474 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.001 -7.098 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.205 -5.973 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.272 -5.918 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.388 -4.381 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.071 -4.936 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.659 -5.284 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.252 -7.039 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.834 -7.616 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.264 -7.279 10.441 1.00 0.00 H new ATOM 425 N THR A 366 60.517 -7.286 4.874 1.00 0.00 N ATOM 426 CA THR A 366 60.161 -8.568 4.331 1.00 0.00 C ATOM 427 C THR A 366 61.367 -9.229 3.700 1.00 0.00 C ATOM 428 O THR A 366 61.568 -10.444 3.742 1.00 0.00 O ATOM 429 CB THR A 366 59.244 -8.296 3.181 1.00 0.00 C ATOM 430 OG1 THR A 366 58.233 -7.349 3.540 1.00 0.00 O ATOM 431 CG2 THR A 366 58.665 -9.560 2.556 1.00 0.00 C ATOM 0 H THR A 366 60.285 -6.502 4.263 1.00 0.00 H new ATOM 0 HA THR A 366 59.739 -9.190 5.120 1.00 0.00 H new ATOM 0 HB THR A 366 59.853 -7.847 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.421 -7.525 3.021 1.00 0.00 H new ATOM 0 HG21 THR A 366 58.009 -9.289 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.476 -10.187 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.095 -10.109 3.306 1.00 0.00 H new ATOM 439 N HIS A 367 62.148 -8.399 3.117 1.00 0.00 N ATOM 440 CA HIS A 367 63.196 -8.802 2.262 1.00 0.00 C ATOM 441 C HIS A 367 64.485 -8.545 2.928 1.00 0.00 C ATOM 442 O HIS A 367 64.640 -7.508 3.545 1.00 0.00 O ATOM 443 CB HIS A 367 63.082 -8.026 0.916 1.00 0.00 C ATOM 444 CG HIS A 367 61.982 -8.507 -0.037 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.127 -7.628 -0.714 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.708 -9.767 -0.435 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.376 -8.408 -1.494 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.701 -9.699 -1.350 1.00 0.00 N ATOM 0 H HIS A 367 62.072 -7.388 3.226 1.00 0.00 H new ATOM 0 HA HIS A 367 63.130 -9.868 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.910 -6.973 1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 367 64.039 -8.090 0.399 1.00 0.00 H new ATOM 0 HD1 HIS A 367 61.087 -6.612 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 367 62.198 -10.666 -0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.605 -8.044 -2.157 1.00 0.00 H new ATOM 456 N SER A 368 65.388 -9.477 2.817 1.00 0.00 N ATOM 457 CA SER A 368 66.664 -9.342 3.413 1.00 0.00 C ATOM 458 C SER A 368 67.573 -8.421 2.680 1.00 0.00 C ATOM 459 O SER A 368 67.384 -8.159 1.488 1.00 0.00 O ATOM 460 CB SER A 368 67.278 -10.679 3.736 1.00 0.00 C ATOM 461 OG SER A 368 67.120 -11.615 2.697 1.00 0.00 O ATOM 0 H SER A 368 65.249 -10.350 2.307 1.00 0.00 H new ATOM 0 HA SER A 368 66.504 -8.845 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.340 -10.546 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.824 -11.072 4.646 1.00 0.00 H new ATOM 0 HG SER A 368 67.536 -12.464 2.955 1.00 0.00 H new ATOM 467 N LEU A 369 68.536 -7.908 3.415 1.00 0.00 N ATOM 468 CA LEU A 369 69.501 -6.938 2.971 1.00 0.00 C ATOM 469 C LEU A 369 70.082 -7.265 1.627 1.00 0.00 C ATOM 470 O LEU A 369 70.088 -6.404 0.728 1.00 0.00 O ATOM 471 CB LEU A 369 70.577 -6.771 4.061 1.00 0.00 C ATOM 472 CG LEU A 369 71.773 -5.811 3.802 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.855 -6.478 2.974 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.298 -4.560 3.087 1.00 0.00 C ATOM 0 H LEU A 369 68.670 -8.174 4.391 1.00 0.00 H new ATOM 0 HA LEU A 369 68.996 -5.983 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.076 -6.434 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.988 -7.758 4.271 1.00 0.00 H new ATOM 0 HG LEU A 369 72.194 -5.546 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.674 -5.777 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.227 -7.356 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.442 -6.780 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.145 -3.897 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.849 -4.835 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.558 -4.048 3.702 1.00 0.00 H new ATOM 486 N THR A 370 70.478 -8.493 1.447 1.00 0.00 N ATOM 487 CA THR A 370 71.126 -8.861 0.207 1.00 0.00 C ATOM 488 C THR A 370 70.155 -8.772 -0.951 1.00 0.00 C ATOM 489 O THR A 370 70.523 -8.393 -2.049 1.00 0.00 O ATOM 490 CB THR A 370 71.809 -10.235 0.280 1.00 0.00 C ATOM 491 OG1 THR A 370 72.751 -10.214 1.368 1.00 0.00 O ATOM 492 CG2 THR A 370 72.550 -10.529 -1.017 1.00 0.00 C ATOM 0 H THR A 370 70.370 -9.248 2.124 1.00 0.00 H new ATOM 0 HA THR A 370 71.925 -8.140 0.034 1.00 0.00 H new ATOM 0 HB THR A 370 71.057 -11.008 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 370 73.197 -11.085 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 370 73.029 -11.506 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.844 -10.527 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.309 -9.764 -1.184 1.00 0.00 H new ATOM 500 N GLN A 371 68.900 -8.995 -0.655 1.00 0.00 N ATOM 501 CA GLN A 371 67.870 -9.029 -1.672 1.00 0.00 C ATOM 502 C GLN A 371 67.589 -7.619 -2.138 1.00 0.00 C ATOM 503 O GLN A 371 67.299 -7.386 -3.306 1.00 0.00 O ATOM 504 CB GLN A 371 66.600 -9.660 -1.130 1.00 0.00 C ATOM 505 CG GLN A 371 66.881 -10.844 -0.240 1.00 0.00 C ATOM 506 CD GLN A 371 65.680 -11.687 0.063 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.550 -11.062 0.196 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.792 -12.899 0.236 1.00 0.00 N flip ATOM 0 H GLN A 371 68.560 -9.158 0.293 1.00 0.00 H new ATOM 0 HA GLN A 371 68.217 -9.633 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.037 -8.913 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.971 -9.976 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.638 -11.468 -0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.305 -10.486 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.700 -13.349 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.977 -13.455 0.495 1.00 0.00 H new ATOM 517 N ARG A 372 67.689 -6.661 -1.212 1.00 0.00 N ATOM 518 CA ARG A 372 67.514 -5.279 -1.593 1.00 0.00 C ATOM 519 C ARG A 372 68.687 -4.830 -2.434 1.00 0.00 C ATOM 520 O ARG A 372 68.506 -4.145 -3.425 1.00 0.00 O ATOM 521 CB ARG A 372 67.388 -4.292 -0.437 1.00 0.00 C ATOM 522 CG ARG A 372 66.183 -4.382 0.478 1.00 0.00 C ATOM 523 CD ARG A 372 66.371 -5.432 1.516 1.00 0.00 C ATOM 524 NE ARG A 372 65.749 -5.102 2.780 1.00 0.00 N ATOM 525 CZ ARG A 372 66.401 -4.747 3.921 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.687 -4.403 3.897 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.731 -4.707 5.060 1.00 0.00 N ATOM 0 H ARG A 372 67.885 -6.821 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 372 66.568 -5.264 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.279 -4.394 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.407 -3.287 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.016 -3.418 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.293 -4.604 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.959 -6.373 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.438 -5.591 1.674 1.00 0.00 H new ATOM 0 HE ARG A 372 64.730 -5.139 2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.199 -4.403 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.161 -4.140 4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.738 -4.940 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.207 -4.443 5.923 1.00 0.00 H new ATOM 541 N ARG A 373 69.904 -5.215 -2.013 1.00 0.00 N ATOM 542 CA ARG A 373 71.115 -4.832 -2.740 1.00 0.00 C ATOM 543 C ARG A 373 71.189 -5.502 -4.104 1.00 0.00 C ATOM 544 O ARG A 373 71.759 -4.947 -5.054 1.00 0.00 O ATOM 545 CB ARG A 373 72.360 -5.148 -1.918 1.00 0.00 C ATOM 546 CG ARG A 373 72.468 -4.346 -0.656 1.00 0.00 C ATOM 547 CD ARG A 373 73.751 -4.622 0.080 1.00 0.00 C ATOM 548 NE ARG A 373 74.910 -4.048 -0.599 1.00 0.00 N ATOM 549 CZ ARG A 373 76.044 -4.699 -0.883 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.184 -5.984 -0.559 1.00 0.00 N ATOM 551 NH2 ARG A 373 77.042 -4.053 -1.476 1.00 0.00 N ATOM 0 H ARG A 373 70.069 -5.784 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 373 71.071 -3.755 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.358 -6.208 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.244 -4.967 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.409 -3.284 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.622 -4.575 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.684 -4.215 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.887 -5.699 0.179 1.00 0.00 H new ATOM 0 HE ARG A 373 74.850 -3.069 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.424 -6.478 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.051 -6.474 -0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.941 -3.066 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.909 -4.544 -1.695 1.00 0.00 H new ATOM 565 N ALA A 374 70.627 -6.690 -4.182 1.00 0.00 N ATOM 566 CA ALA A 374 70.588 -7.466 -5.413 1.00 0.00 C ATOM 567 C ALA A 374 69.755 -6.785 -6.495 1.00 0.00 C ATOM 568 O ALA A 374 70.199 -6.677 -7.648 1.00 0.00 O ATOM 569 CB ALA A 374 70.072 -8.877 -5.158 1.00 0.00 C ATOM 0 H ALA A 374 70.180 -7.151 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 374 71.614 -7.530 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 374 70.054 -9.433 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.728 -9.382 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.064 -8.827 -4.747 1.00 0.00 H new ATOM 575 N VAL A 375 68.571 -6.326 -6.144 1.00 0.00 N ATOM 576 CA VAL A 375 67.709 -5.692 -7.119 1.00 0.00 C ATOM 577 C VAL A 375 68.187 -4.263 -7.408 1.00 0.00 C ATOM 578 O VAL A 375 68.388 -3.450 -6.506 1.00 0.00 O ATOM 579 CB VAL A 375 66.202 -5.710 -6.693 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.953 -4.867 -5.457 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.312 -5.254 -7.833 1.00 0.00 C ATOM 0 H VAL A 375 68.187 -6.379 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 375 67.776 -6.276 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 375 65.951 -6.741 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.895 -4.907 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.546 -5.253 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.238 -3.834 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.270 -5.275 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.582 -4.238 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.443 -5.920 -8.686 1.00 0.00 H new ATOM 591 N GLN A 376 68.353 -3.962 -8.658 1.00 0.00 N ATOM 592 CA GLN A 376 68.823 -2.660 -9.081 1.00 0.00 C ATOM 593 C GLN A 376 67.647 -1.734 -9.427 1.00 0.00 C ATOM 594 O GLN A 376 67.735 -0.911 -10.329 1.00 0.00 O ATOM 595 CB GLN A 376 69.806 -2.813 -10.256 1.00 0.00 C ATOM 596 CG GLN A 376 69.309 -3.710 -11.380 1.00 0.00 C ATOM 597 CD GLN A 376 70.274 -3.792 -12.540 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.016 -2.852 -12.823 1.00 0.00 O ATOM 599 NE2 GLN A 376 70.273 -4.903 -13.222 1.00 0.00 N ATOM 0 H GLN A 376 68.168 -4.609 -9.425 1.00 0.00 H new ATOM 0 HA GLN A 376 69.358 -2.190 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 376 70.021 -1.826 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.746 -3.213 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.135 -4.712 -10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.350 -3.337 -11.738 1.00 0.00 H new ATOM 0 HE21 GLN A 376 69.644 -5.662 -12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.901 -5.013 -14.018 1.00 0.00 H new ATOM 608 N GLY A 377 66.563 -1.871 -8.657 1.00 0.00 N ATOM 609 CA GLY A 377 65.353 -1.052 -8.817 1.00 0.00 C ATOM 610 C GLY A 377 65.625 0.418 -8.756 1.00 0.00 C ATOM 611 O GLY A 377 65.249 1.176 -9.659 1.00 0.00 O ATOM 0 H GLY A 377 66.498 -2.554 -7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.885 -1.289 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.638 -1.315 -8.038 1.00 0.00 H new ATOM 615 N ARG A 378 66.302 0.803 -7.711 1.00 0.00 N ATOM 616 CA ARG A 378 66.642 2.173 -7.430 1.00 0.00 C ATOM 617 C ARG A 378 67.548 2.744 -8.495 1.00 0.00 C ATOM 618 O ARG A 378 68.165 2.017 -9.290 1.00 0.00 O ATOM 619 CB ARG A 378 67.352 2.213 -6.112 1.00 0.00 C ATOM 620 CG ARG A 378 66.589 1.561 -4.980 1.00 0.00 C ATOM 621 CD ARG A 378 67.557 1.037 -3.998 1.00 0.00 C ATOM 622 NE ARG A 378 66.911 0.036 -3.235 1.00 0.00 N ATOM 623 CZ ARG A 378 66.812 -1.212 -3.669 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.228 -1.508 -4.908 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.298 -2.141 -2.906 1.00 0.00 N ATOM 0 H ARG A 378 66.645 0.151 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 378 65.730 2.769 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.318 1.719 -6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.552 3.252 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.924 2.284 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.963 0.754 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.429 0.625 -4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.914 1.838 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 378 66.512 0.281 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.615 -0.777 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.158 -2.465 -5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.970 -1.907 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.225 -3.099 -3.248 1.00 0.00 H new ATOM 639 N ARG A 379 67.647 4.034 -8.495 1.00 0.00 N ATOM 640 CA ARG A 379 68.484 4.738 -9.443 1.00 0.00 C ATOM 641 C ARG A 379 69.922 4.770 -8.974 1.00 0.00 C ATOM 642 O ARG A 379 70.810 5.263 -9.672 1.00 0.00 O ATOM 643 CB ARG A 379 67.935 6.142 -9.682 1.00 0.00 C ATOM 644 CG ARG A 379 67.749 6.979 -8.448 1.00 0.00 C ATOM 645 CD ARG A 379 66.885 8.160 -8.777 1.00 0.00 C ATOM 646 NE ARG A 379 66.537 8.943 -7.603 1.00 0.00 N ATOM 647 CZ ARG A 379 65.794 10.048 -7.629 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.313 10.497 -8.785 1.00 0.00 N ATOM 649 NH2 ARG A 379 65.522 10.693 -6.502 1.00 0.00 N ATOM 0 H ARG A 379 67.153 4.641 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 379 68.469 4.204 -10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.609 6.667 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.975 6.057 -10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.289 6.386 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.716 7.314 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.404 8.797 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.972 7.814 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 379 66.885 8.625 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.513 9.995 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.744 11.343 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 379 65.882 10.343 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 379 64.953 11.539 -6.523 1.00 0.00 H new ATOM 663 N LYS A 380 70.148 4.265 -7.779 1.00 0.00 N ATOM 664 CA LYS A 380 71.419 4.232 -7.177 1.00 0.00 C ATOM 665 C LYS A 380 71.551 2.849 -6.549 1.00 0.00 C ATOM 666 O LYS A 380 70.611 2.038 -6.649 1.00 0.00 O ATOM 667 CB LYS A 380 71.395 5.268 -6.072 1.00 0.00 C ATOM 668 CG LYS A 380 70.880 6.611 -6.498 1.00 0.00 C ATOM 669 CD LYS A 380 70.408 7.415 -5.326 1.00 0.00 C ATOM 670 CE LYS A 380 69.752 8.699 -5.810 1.00 0.00 C ATOM 671 NZ LYS A 380 69.318 9.566 -4.689 1.00 0.00 N ATOM 0 H LYS A 380 69.413 3.859 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 380 72.233 4.427 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.776 4.897 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.405 5.387 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.667 7.155 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.060 6.480 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.699 6.834 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.248 7.649 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.452 9.247 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.890 8.453 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.877 10.428 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.629 9.055 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.143 9.824 -4.110 1.00 0.00 H new ATOM 685 N ARG A 381 72.671 2.588 -5.895 1.00 0.00 N ATOM 686 CA ARG A 381 72.861 1.351 -5.135 1.00 0.00 C ATOM 687 C ARG A 381 71.861 1.339 -4.015 1.00 0.00 C ATOM 688 O ARG A 381 71.327 2.379 -3.637 1.00 0.00 O ATOM 689 CB ARG A 381 74.262 1.273 -4.498 1.00 0.00 C ATOM 690 CG ARG A 381 75.422 1.487 -5.440 1.00 0.00 C ATOM 691 CD ARG A 381 75.322 0.597 -6.645 1.00 0.00 C ATOM 692 NE ARG A 381 76.406 0.820 -7.597 1.00 0.00 N ATOM 693 CZ ARG A 381 76.605 0.090 -8.704 1.00 0.00 C ATOM 694 NH1 ARG A 381 75.824 -0.956 -8.966 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.572 0.411 -9.544 1.00 0.00 N ATOM 0 H ARG A 381 73.472 3.219 -5.872 1.00 0.00 H new ATOM 0 HA ARG A 381 72.740 0.511 -5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.321 2.016 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.374 0.295 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.447 2.530 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.358 1.290 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 381 75.333 -0.445 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 381 74.367 0.768 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 381 77.056 1.583 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 381 75.071 -1.204 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 381 75.978 -1.509 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.169 1.215 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 381 77.722 -0.145 -10.386 1.00 0.00 H new ATOM 709 N PHE A 382 71.626 0.215 -3.466 1.00 0.00 N ATOM 710 CA PHE A 382 70.683 0.135 -2.393 1.00 0.00 C ATOM 711 C PHE A 382 71.197 0.820 -1.136 1.00 0.00 C ATOM 712 O PHE A 382 70.482 1.533 -0.483 1.00 0.00 O ATOM 713 CB PHE A 382 70.288 -1.296 -2.106 1.00 0.00 C ATOM 714 CG PHE A 382 69.559 -1.432 -0.804 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.327 -0.864 -0.646 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.121 -2.087 0.259 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.666 -0.927 0.529 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.464 -2.173 1.445 1.00 0.00 C ATOM 719 CZ PHE A 382 68.226 -1.584 1.582 1.00 0.00 C ATOM 0 H PHE A 382 72.064 -0.668 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 382 69.790 0.669 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.657 -1.666 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.181 -1.921 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.871 -0.352 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.096 -2.540 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.698 -0.459 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.910 -2.700 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.700 -1.643 2.524 1.00 0.00 H new ATOM 729 N ASP A 383 72.428 0.608 -0.853 1.00 0.00 N ATOM 730 CA ASP A 383 73.089 1.110 0.344 1.00 0.00 C ATOM 731 C ASP A 383 73.110 2.619 0.351 1.00 0.00 C ATOM 732 O ASP A 383 72.905 3.257 1.379 1.00 0.00 O ATOM 733 CB ASP A 383 74.521 0.646 0.347 1.00 0.00 C ATOM 734 CG ASP A 383 74.689 -0.838 0.216 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.622 -1.356 -0.928 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.938 -1.503 1.233 1.00 0.00 O ATOM 0 H ASP A 383 73.045 0.063 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 383 72.544 0.740 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.050 1.133 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.995 0.973 1.273 1.00 0.00 H new ATOM 741 N VAL A 384 73.361 3.174 -0.807 1.00 0.00 N ATOM 742 CA VAL A 384 73.464 4.604 -0.995 1.00 0.00 C ATOM 743 C VAL A 384 72.070 5.223 -0.922 1.00 0.00 C ATOM 744 O VAL A 384 71.882 6.339 -0.455 1.00 0.00 O ATOM 745 CB VAL A 384 74.154 4.885 -2.346 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.256 4.711 -3.523 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.916 6.180 -2.393 1.00 0.00 C ATOM 0 H VAL A 384 73.503 2.638 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 384 74.069 5.056 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 384 74.909 4.102 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.809 4.925 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.890 3.685 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.412 5.395 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.370 6.300 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.235 7.010 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.697 6.171 -1.632 1.00 0.00 H new ATOM 757 N LEU A 385 71.115 4.462 -1.379 1.00 0.00 N ATOM 758 CA LEU A 385 69.750 4.794 -1.333 1.00 0.00 C ATOM 759 C LEU A 385 69.266 4.737 0.114 1.00 0.00 C ATOM 760 O LEU A 385 68.565 5.636 0.585 1.00 0.00 O ATOM 761 CB LEU A 385 69.024 3.784 -2.228 1.00 0.00 C ATOM 762 CG LEU A 385 67.549 3.946 -2.456 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.815 3.317 -1.299 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.231 5.416 -2.594 1.00 0.00 C ATOM 0 H LEU A 385 71.293 3.555 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 385 69.555 5.805 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.512 3.797 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.185 2.793 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 385 67.233 3.449 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.741 3.425 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.068 2.258 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.105 3.812 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.161 5.543 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.521 5.938 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.781 5.829 -3.440 1.00 0.00 H new ATOM 776 N LEU A 386 69.652 3.686 0.810 1.00 0.00 N ATOM 777 CA LEU A 386 69.285 3.507 2.199 1.00 0.00 C ATOM 778 C LEU A 386 69.890 4.632 3.019 1.00 0.00 C ATOM 779 O LEU A 386 69.336 5.029 4.022 1.00 0.00 O ATOM 780 CB LEU A 386 69.815 2.198 2.732 1.00 0.00 C ATOM 781 CG LEU A 386 68.854 1.274 3.527 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.632 0.167 4.215 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.996 2.026 4.538 1.00 0.00 C ATOM 0 H LEU A 386 70.227 2.935 0.429 1.00 0.00 H new ATOM 0 HA LEU A 386 68.197 3.510 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.198 1.627 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.665 2.423 3.376 1.00 0.00 H new ATOM 0 HG LEU A 386 68.168 0.841 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.944 -0.472 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.157 -0.427 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.354 0.604 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.347 1.322 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.640 2.529 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.386 2.766 4.019 1.00 0.00 H new ATOM 795 N ALA A 387 71.033 5.130 2.574 1.00 0.00 N ATOM 796 CA ALA A 387 71.684 6.261 3.211 1.00 0.00 C ATOM 797 C ALA A 387 70.768 7.483 3.167 1.00 0.00 C ATOM 798 O ALA A 387 70.669 8.233 4.134 1.00 0.00 O ATOM 799 CB ALA A 387 73.011 6.553 2.539 1.00 0.00 C ATOM 0 H ALA A 387 71.533 4.762 1.764 1.00 0.00 H new ATOM 0 HA ALA A 387 71.882 6.016 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.487 7.403 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.659 5.680 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.843 6.786 1.488 1.00 0.00 H new ATOM 805 N GLU A 388 70.055 7.649 2.063 1.00 0.00 N ATOM 806 CA GLU A 388 69.111 8.718 1.932 1.00 0.00 C ATOM 807 C GLU A 388 67.891 8.432 2.769 1.00 0.00 C ATOM 808 O GLU A 388 67.274 9.348 3.327 1.00 0.00 O ATOM 809 CB GLU A 388 68.750 8.926 0.491 1.00 0.00 C ATOM 810 CG GLU A 388 69.920 9.386 -0.331 1.00 0.00 C ATOM 811 CD GLU A 388 70.717 10.491 0.342 1.00 0.00 C ATOM 812 OE1 GLU A 388 70.283 11.656 0.336 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.787 10.197 0.903 1.00 0.00 O ATOM 0 H GLU A 388 70.123 7.044 1.245 1.00 0.00 H new ATOM 0 HA GLU A 388 69.564 9.641 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.363 7.994 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.949 9.662 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.577 8.538 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.562 9.740 -1.298 1.00 0.00 H new ATOM 820 N HIS A 389 67.555 7.144 2.882 1.00 0.00 N ATOM 821 CA HIS A 389 66.510 6.708 3.777 1.00 0.00 C ATOM 822 C HIS A 389 66.859 7.085 5.160 1.00 0.00 C ATOM 823 O HIS A 389 66.069 7.619 5.817 1.00 0.00 O ATOM 824 CB HIS A 389 66.230 5.211 3.700 1.00 0.00 C ATOM 825 CG HIS A 389 65.228 4.764 4.691 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.955 5.205 4.728 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.400 4.029 5.773 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.395 4.774 5.807 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.250 4.040 6.465 1.00 0.00 N ATOM 0 H HIS A 389 68.001 6.392 2.357 1.00 0.00 H new ATOM 0 HA HIS A 389 65.594 7.208 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.879 4.963 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.159 4.664 3.857 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.507 5.785 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.305 3.511 6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.382 4.986 6.116 1.00 0.00 H new ATOM 838 N LYS A 390 68.035 6.768 5.592 1.00 0.00 N ATOM 839 CA LYS A 390 68.486 7.137 6.907 1.00 0.00 C ATOM 840 C LYS A 390 68.613 8.608 7.085 1.00 0.00 C ATOM 841 O LYS A 390 68.607 9.090 8.160 1.00 0.00 O ATOM 842 CB LYS A 390 69.708 6.402 7.301 1.00 0.00 C ATOM 843 CG LYS A 390 69.542 4.915 7.072 1.00 0.00 C ATOM 844 CD LYS A 390 68.273 4.346 7.741 1.00 0.00 C ATOM 845 CE LYS A 390 68.462 4.145 9.214 1.00 0.00 C ATOM 846 NZ LYS A 390 69.680 3.371 9.559 1.00 0.00 N ATOM 0 H LYS A 390 68.718 6.244 5.046 1.00 0.00 H new ATOM 0 HA LYS A 390 67.703 6.828 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.559 6.769 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.927 6.590 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.502 4.719 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.417 4.392 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.437 5.025 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.012 3.396 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.511 5.119 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.589 3.631 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.605 3.024 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.773 2.563 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.516 3.983 9.472 1.00 0.00 H new ATOM 860 N ASN A 391 68.817 9.311 6.073 1.00 0.00 N ATOM 861 CA ASN A 391 68.800 10.735 6.245 1.00 0.00 C ATOM 862 C ASN A 391 67.368 11.247 6.515 1.00 0.00 C ATOM 863 O ASN A 391 67.181 12.272 7.182 1.00 0.00 O ATOM 864 CB ASN A 391 69.492 11.466 5.101 1.00 0.00 C ATOM 865 CG ASN A 391 70.979 11.618 5.285 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.442 12.612 5.823 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.735 10.648 4.875 1.00 0.00 N ATOM 0 H ASN A 391 68.996 8.969 5.129 1.00 0.00 H new ATOM 0 HA ASN A 391 69.388 10.967 7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.304 10.928 4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.046 12.455 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.746 10.702 4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.319 9.830 4.429 1.00 0.00 H new ATOM 874 N LYS A 392 66.374 10.543 6.007 1.00 0.00 N ATOM 875 CA LYS A 392 65.000 10.873 6.285 1.00 0.00 C ATOM 876 C LYS A 392 64.529 10.100 7.515 1.00 0.00 C ATOM 877 O LYS A 392 64.299 10.650 8.575 1.00 0.00 O ATOM 878 CB LYS A 392 64.121 10.497 5.104 1.00 0.00 C ATOM 879 CG LYS A 392 62.671 10.872 5.309 1.00 0.00 C ATOM 880 CD LYS A 392 62.425 12.371 5.259 1.00 0.00 C ATOM 881 CE LYS A 392 62.832 12.995 3.919 1.00 0.00 C ATOM 882 NZ LYS A 392 62.532 14.445 3.868 1.00 0.00 N ATOM 0 H LYS A 392 66.500 9.735 5.397 1.00 0.00 H new ATOM 0 HA LYS A 392 64.927 11.946 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.496 10.990 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.193 9.423 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.066 10.386 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.336 10.488 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.368 12.567 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.981 12.853 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 392 63.898 12.839 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 392 62.308 12.488 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 62.823 14.827 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.511 14.593 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 63.052 14.934 4.625 1.00 0.00 H new ATOM 896 N THR A 393 64.476 8.812 7.356 1.00 0.00 N ATOM 897 CA THR A 393 64.032 7.899 8.331 1.00 0.00 C ATOM 898 C THR A 393 65.213 7.029 8.829 1.00 0.00 C ATOM 899 O THR A 393 65.368 5.841 8.510 1.00 0.00 O ATOM 900 CB THR A 393 62.970 7.015 7.767 1.00 0.00 C ATOM 901 OG1 THR A 393 61.953 7.819 7.158 1.00 0.00 O ATOM 902 CG2 THR A 393 62.356 6.125 8.836 1.00 0.00 C ATOM 0 H THR A 393 64.761 8.358 6.488 1.00 0.00 H new ATOM 0 HA THR A 393 63.623 8.464 9.168 1.00 0.00 H new ATOM 0 HB THR A 393 63.428 6.367 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.256 7.239 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.587 5.496 8.388 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.130 5.495 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.910 6.745 9.613 1.00 0.00 H new ATOM 910 N ARG A 394 66.088 7.728 9.391 1.00 0.00 N ATOM 911 CA ARG A 394 67.263 7.338 10.210 1.00 0.00 C ATOM 912 C ARG A 394 66.993 6.289 11.317 1.00 0.00 C ATOM 913 O ARG A 394 67.822 6.083 12.199 1.00 0.00 O ATOM 914 CB ARG A 394 67.902 8.614 10.802 1.00 0.00 C ATOM 915 CG ARG A 394 66.961 9.520 11.540 1.00 0.00 C ATOM 916 CD ARG A 394 67.704 10.601 12.310 1.00 0.00 C ATOM 917 NE ARG A 394 68.536 10.043 13.392 1.00 0.00 N ATOM 918 CZ ARG A 394 69.841 10.324 13.591 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.509 11.096 12.734 1.00 0.00 N ATOM 920 NH2 ARG A 394 70.468 9.825 14.645 1.00 0.00 N ATOM 0 H ARG A 394 66.041 8.744 9.310 1.00 0.00 H new ATOM 0 HA ARG A 394 67.948 6.828 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.702 8.318 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.363 9.179 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.274 9.985 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.357 8.932 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 394 68.335 11.165 11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 394 66.985 11.303 12.732 1.00 0.00 H new ATOM 0 HE ARG A 394 68.091 9.394 14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.034 11.481 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.495 11.302 12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 394 69.965 9.230 15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 394 71.454 10.035 14.799 1.00 0.00 H new