USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 346 HIS : no HD1:sc= 0.353 K(o=1.5,f=-5.4!) USER MOD Set 1.2: A 359 THR OG1 : rot 78:sc= 1.14 USER MOD Set 2.1: A 347 CYS SG : rot 176:sc= -1.32! USER MOD Set 2.2: A 358 CYS SG : rot 101:sc= 0.289! USER MOD Set 2.3: A 364 CYS SG : rot 130:sc= 1.51 USER MOD Set 2.4: A 367 HIS : no HD1:sc= -5.98! C(o=-7.8!,f=-5.7!) USER MOD Set 2.5: A 371 GLN : amide:sc= -2.29 K(o=-7.8,f=-5.6) USER MOD Single : A 354 THR OG1 : rot -150:sc= -1.39 USER MOD Single : A 355 LYS NZ :NH3+ 170:sc= -1.94! (180deg=-2.13!) USER MOD Single : A 356 LYS NZ :NH3+ 164:sc= 0.145 (180deg=-0.129) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -39:sc= 0.357 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot -130:sc= -0.0594 USER MOD Single : A 368 SER OG : rot 180:sc= -1.57! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= -0.713 K(o=-0.71,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 175:sc= 0.424 (180deg=0.356) USER MOD Single : A 389 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-5.7!) USER MOD Single : A 390 LYS NZ :NH3+ -133:sc= -0.201 (180deg=-0.707) USER MOD Single : A 391 ASN : amide:sc= 1.14 K(o=1.1,f=-0.00067) USER MOD Single : A 392 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00304) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N PHE A 341 54.408 1.445 -7.809 1.00 0.00 N ATOM 41 CA PHE A 341 55.781 1.030 -7.601 1.00 0.00 C ATOM 42 C PHE A 341 56.737 2.028 -8.206 1.00 0.00 C ATOM 43 O PHE A 341 56.711 2.309 -9.420 1.00 0.00 O ATOM 44 CB PHE A 341 56.087 -0.332 -8.257 1.00 0.00 C ATOM 45 CG PHE A 341 57.551 -0.615 -8.238 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.208 -0.719 -7.043 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.275 -0.731 -9.412 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.535 -0.933 -6.997 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.622 -0.950 -9.376 1.00 0.00 C ATOM 50 CZ PHE A 341 60.256 -1.052 -8.168 1.00 0.00 C ATOM 0 HA PHE A 341 55.909 0.958 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.553 -1.122 -7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.725 -0.334 -9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.652 -0.628 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.771 -0.648 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.037 -1.012 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.183 -1.042 -10.294 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.321 -1.226 -8.131 1.00 0.00 H new ATOM 60 N ASP A 342 57.545 2.546 -7.366 1.00 0.00 N ATOM 61 CA ASP A 342 58.508 3.530 -7.746 1.00 0.00 C ATOM 62 C ASP A 342 59.871 2.955 -7.532 1.00 0.00 C ATOM 63 O ASP A 342 60.326 2.889 -6.405 1.00 0.00 O ATOM 64 CB ASP A 342 58.405 4.852 -6.947 1.00 0.00 C ATOM 65 CG ASP A 342 57.227 5.735 -7.279 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.128 6.220 -8.429 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.407 6.013 -6.386 1.00 0.00 O ATOM 0 H ASP A 342 57.565 2.302 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 342 58.315 3.778 -8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.364 4.609 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.319 5.423 -7.109 1.00 0.00 H new ATOM 72 N PRO A 343 60.542 2.483 -8.570 1.00 0.00 N ATOM 73 CA PRO A 343 61.850 1.858 -8.413 1.00 0.00 C ATOM 74 C PRO A 343 62.925 2.773 -7.824 1.00 0.00 C ATOM 75 O PRO A 343 63.745 2.335 -7.025 1.00 0.00 O ATOM 76 CB PRO A 343 62.218 1.407 -9.814 1.00 0.00 C ATOM 77 CG PRO A 343 61.366 2.202 -10.729 1.00 0.00 C ATOM 78 CD PRO A 343 60.090 2.465 -9.978 1.00 0.00 C ATOM 0 HA PRO A 343 61.796 1.043 -7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.275 1.579 -10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 343 62.039 0.339 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.856 3.135 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 343 61.171 1.658 -11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.636 3.412 -10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.348 1.687 -10.155 1.00 0.00 H new ATOM 86 N ASP A 344 62.882 4.046 -8.166 1.00 0.00 N ATOM 87 CA ASP A 344 63.905 4.988 -7.693 1.00 0.00 C ATOM 88 C ASP A 344 63.738 5.299 -6.231 1.00 0.00 C ATOM 89 O ASP A 344 64.654 5.821 -5.593 1.00 0.00 O ATOM 90 CB ASP A 344 63.879 6.320 -8.457 1.00 0.00 C ATOM 91 CG ASP A 344 64.198 6.199 -9.914 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.338 5.893 -10.261 1.00 0.00 O ATOM 93 OD2 ASP A 344 63.310 6.453 -10.750 1.00 0.00 O ATOM 0 H ASP A 344 62.164 4.458 -8.762 1.00 0.00 H new ATOM 0 HA ASP A 344 64.857 4.488 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.891 6.768 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.592 7.004 -7.996 1.00 0.00 H new ATOM 98 N ILE A 345 62.589 4.988 -5.691 1.00 0.00 N ATOM 99 CA ILE A 345 62.271 5.422 -4.329 1.00 0.00 C ATOM 100 C ILE A 345 61.918 4.260 -3.427 1.00 0.00 C ATOM 101 O ILE A 345 61.837 4.419 -2.193 1.00 0.00 O ATOM 102 CB ILE A 345 61.114 6.487 -4.322 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.776 5.911 -3.835 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.961 7.159 -5.685 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.615 6.869 -3.910 1.00 0.00 C ATOM 0 H ILE A 345 61.859 4.445 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 345 63.174 5.887 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 345 61.407 7.249 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.539 5.027 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 345 59.892 5.581 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.152 7.889 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.891 7.663 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.730 6.406 -6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.713 6.377 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.825 7.744 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.466 7.180 -4.944 1.00 0.00 H new ATOM 117 N HIS A 346 61.686 3.125 -4.020 1.00 0.00 N ATOM 118 CA HIS A 346 61.286 1.965 -3.287 1.00 0.00 C ATOM 119 C HIS A 346 62.163 0.744 -3.488 1.00 0.00 C ATOM 120 O HIS A 346 63.121 0.758 -4.241 1.00 0.00 O ATOM 121 CB HIS A 346 59.808 1.663 -3.482 1.00 0.00 C ATOM 122 CG HIS A 346 58.941 2.576 -2.681 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.948 3.324 -3.246 1.00 0.00 N ATOM 124 CD2 HIS A 346 58.963 2.807 -1.354 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.388 3.991 -2.235 1.00 0.00 C ATOM 126 NE2 HIS A 346 57.973 3.703 -1.086 1.00 0.00 N ATOM 0 H HIS A 346 61.770 2.980 -5.026 1.00 0.00 H new ATOM 0 HA HIS A 346 61.440 2.225 -2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.555 1.757 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.608 0.630 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.639 2.365 -0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.562 4.678 -2.342 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.729 4.081 -0.170 1.00 0.00 H new ATOM 134 N CYS A 347 61.806 -0.310 -2.769 1.00 0.00 N ATOM 135 CA CYS A 347 62.581 -1.543 -2.665 1.00 0.00 C ATOM 136 C CYS A 347 62.840 -2.231 -4.015 1.00 0.00 C ATOM 137 O CYS A 347 63.921 -2.740 -4.220 1.00 0.00 O ATOM 138 CB CYS A 347 61.867 -2.468 -1.660 1.00 0.00 C ATOM 139 SG CYS A 347 62.656 -4.079 -1.212 1.00 0.00 S ATOM 0 H CYS A 347 60.944 -0.334 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 347 63.580 -1.297 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.723 -1.904 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.876 -2.686 -2.059 1.00 0.00 H new ATOM 0 HG CYS A 347 61.945 -4.671 -0.299 1.00 0.00 H new ATOM 144 N GLY A 348 61.833 -2.331 -4.863 1.00 0.00 N ATOM 145 CA GLY A 348 62.047 -2.888 -6.205 1.00 0.00 C ATOM 146 C GLY A 348 62.266 -4.382 -6.270 1.00 0.00 C ATOM 147 O GLY A 348 62.342 -4.938 -7.350 1.00 0.00 O ATOM 0 H GLY A 348 60.875 -2.043 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.184 -2.639 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.911 -2.394 -6.650 1.00 0.00 H new ATOM 151 N VAL A 349 62.284 -5.036 -5.135 1.00 0.00 N ATOM 152 CA VAL A 349 62.547 -6.464 -5.114 1.00 0.00 C ATOM 153 C VAL A 349 61.245 -7.031 -5.132 1.00 0.00 C ATOM 154 O VAL A 349 60.436 -6.661 -4.304 1.00 0.00 O ATOM 155 CB VAL A 349 63.240 -6.979 -3.821 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.714 -8.419 -3.983 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.367 -6.102 -3.352 1.00 0.00 C ATOM 0 H VAL A 349 62.122 -4.614 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 349 63.214 -6.723 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 349 62.476 -6.942 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 349 64.194 -8.750 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.860 -9.061 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 349 64.427 -8.477 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.803 -6.523 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 349 65.130 -6.043 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.987 -5.103 -3.141 1.00 0.00 H new ATOM 167 N ILE A 350 61.005 -7.853 -6.038 1.00 0.00 N ATOM 168 CA ILE A 350 59.739 -8.425 -6.137 1.00 0.00 C ATOM 169 C ILE A 350 59.428 -9.253 -4.931 1.00 0.00 C ATOM 170 O ILE A 350 60.219 -10.094 -4.477 1.00 0.00 O ATOM 171 CB ILE A 350 59.506 -9.063 -7.474 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.527 -7.887 -8.474 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.203 -9.839 -7.467 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.080 -8.168 -9.860 1.00 0.00 C ATOM 0 H ILE A 350 61.677 -8.158 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 350 58.984 -7.639 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 350 60.260 -9.801 -7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.901 -7.090 -8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.545 -7.500 -8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.047 -10.297 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.247 -10.617 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.377 -9.162 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.145 -7.257 -10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.718 -8.935 -10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.048 -8.519 -9.845 1.00 0.00 H new ATOM 186 N ASP A 351 58.321 -8.927 -4.371 1.00 0.00 N ATOM 187 CA ASP A 351 57.994 -9.325 -3.067 1.00 0.00 C ATOM 188 C ASP A 351 57.379 -10.657 -3.096 1.00 0.00 C ATOM 189 O ASP A 351 56.493 -10.893 -3.846 1.00 0.00 O ATOM 190 CB ASP A 351 57.069 -8.280 -2.502 1.00 0.00 C ATOM 191 CG ASP A 351 57.072 -8.193 -1.009 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.960 -7.444 -0.430 1.00 0.00 O ATOM 193 OD2 ASP A 351 56.187 -8.794 -0.392 1.00 0.00 O ATOM 0 H ASP A 351 57.604 -8.361 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 351 58.877 -9.402 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.346 -7.308 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 351 56.054 -8.490 -2.839 1.00 0.00 H new ATOM 198 N LEU A 352 57.884 -11.533 -2.312 1.00 0.00 N ATOM 199 CA LEU A 352 57.396 -12.871 -2.264 1.00 0.00 C ATOM 200 C LEU A 352 56.119 -13.000 -1.471 1.00 0.00 C ATOM 201 O LEU A 352 55.501 -14.057 -1.459 1.00 0.00 O ATOM 202 CB LEU A 352 58.492 -13.761 -1.765 1.00 0.00 C ATOM 203 CG LEU A 352 59.301 -14.513 -2.820 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.535 -15.737 -3.289 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.624 -13.632 -4.031 1.00 0.00 C ATOM 0 H LEU A 352 58.658 -11.346 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 352 57.118 -13.187 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.181 -13.155 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.053 -14.493 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 352 60.240 -14.811 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.120 -16.266 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.350 -16.397 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.584 -15.427 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.200 -14.207 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.696 -13.293 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.206 -12.769 -3.708 1.00 0.00 H new ATOM 217 N ASP A 353 55.714 -11.937 -0.819 1.00 0.00 N ATOM 218 CA ASP A 353 54.439 -11.944 -0.155 1.00 0.00 C ATOM 219 C ASP A 353 53.435 -11.442 -1.088 1.00 0.00 C ATOM 220 O ASP A 353 52.426 -12.080 -1.339 1.00 0.00 O ATOM 221 CB ASP A 353 54.401 -11.033 1.040 1.00 0.00 C ATOM 222 CG ASP A 353 53.093 -11.141 1.787 1.00 0.00 C ATOM 223 OD1 ASP A 353 52.881 -12.149 2.483 1.00 0.00 O ATOM 224 OD2 ASP A 353 52.249 -10.223 1.697 1.00 0.00 O ATOM 0 H ASP A 353 56.242 -11.069 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 353 54.253 -12.967 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 353 55.224 -11.279 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.551 -10.003 0.717 1.00 0.00 H new ATOM 229 N THR A 354 53.717 -10.294 -1.631 1.00 0.00 N ATOM 230 CA THR A 354 52.758 -9.662 -2.433 1.00 0.00 C ATOM 231 C THR A 354 52.796 -10.091 -3.911 1.00 0.00 C ATOM 232 O THR A 354 51.768 -10.113 -4.589 1.00 0.00 O ATOM 233 CB THR A 354 52.752 -8.135 -2.252 1.00 0.00 C ATOM 234 OG1 THR A 354 54.084 -7.623 -2.338 1.00 0.00 O ATOM 235 CG2 THR A 354 52.159 -7.745 -0.910 1.00 0.00 C ATOM 0 H THR A 354 54.600 -9.794 -1.524 1.00 0.00 H new ATOM 0 HA THR A 354 51.797 -10.021 -2.065 1.00 0.00 H new ATOM 0 HB THR A 354 52.139 -7.710 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.161 -6.818 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 354 52.168 -6.660 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 354 51.133 -8.107 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.750 -8.188 -0.108 1.00 0.00 H new ATOM 243 N LYS A 355 53.985 -10.437 -4.372 1.00 0.00 N ATOM 244 CA LYS A 355 54.263 -10.865 -5.745 1.00 0.00 C ATOM 245 C LYS A 355 53.984 -9.808 -6.735 1.00 0.00 C ATOM 246 O LYS A 355 53.145 -9.910 -7.635 1.00 0.00 O ATOM 247 CB LYS A 355 53.747 -12.241 -6.099 1.00 0.00 C ATOM 248 CG LYS A 355 54.484 -13.335 -5.363 1.00 0.00 C ATOM 249 CD LYS A 355 55.881 -13.541 -5.930 1.00 0.00 C ATOM 250 CE LYS A 355 55.899 -14.404 -7.197 1.00 0.00 C ATOM 251 NZ LYS A 355 54.991 -13.971 -8.285 1.00 0.00 N ATOM 0 H LYS A 355 54.819 -10.430 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 355 55.342 -11.013 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.684 -12.300 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 355 53.845 -12.398 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.553 -13.082 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 355 53.921 -14.266 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.322 -12.570 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.508 -14.008 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.917 -14.424 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 355 55.643 -15.427 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 55.201 -14.512 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 54.005 -14.139 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.130 -12.957 -8.470 1.00 0.00 H new ATOM 265 N LYS A 356 54.632 -8.763 -6.451 1.00 0.00 N ATOM 266 CA LYS A 356 54.654 -7.555 -7.175 1.00 0.00 C ATOM 267 C LYS A 356 55.916 -6.895 -6.724 1.00 0.00 C ATOM 268 O LYS A 356 56.566 -7.432 -5.806 1.00 0.00 O ATOM 269 CB LYS A 356 53.441 -6.775 -6.737 1.00 0.00 C ATOM 270 CG LYS A 356 53.517 -6.264 -5.327 1.00 0.00 C ATOM 271 CD LYS A 356 52.284 -5.523 -4.953 1.00 0.00 C ATOM 272 CE LYS A 356 52.489 -4.809 -3.644 1.00 0.00 C ATOM 273 NZ LYS A 356 53.558 -3.804 -3.769 1.00 0.00 N ATOM 0 H LYS A 356 55.224 -8.719 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 356 54.630 -7.655 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.303 -5.930 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.560 -7.409 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.663 -7.100 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.383 -5.610 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.031 -4.805 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.445 -6.214 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.561 -4.326 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.747 -5.528 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.510 -3.144 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.483 -4.279 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 53.437 -3.278 -4.658 1.00 0.00 H new ATOM 287 N PRO A 357 56.332 -5.775 -7.293 1.00 0.00 N ATOM 288 CA PRO A 357 57.489 -5.142 -6.815 1.00 0.00 C ATOM 289 C PRO A 357 57.256 -4.558 -5.446 1.00 0.00 C ATOM 290 O PRO A 357 56.117 -4.479 -4.927 1.00 0.00 O ATOM 291 CB PRO A 357 57.823 -4.083 -7.783 1.00 0.00 C ATOM 292 CG PRO A 357 56.699 -3.958 -8.734 1.00 0.00 C ATOM 293 CD PRO A 357 55.708 -5.051 -8.402 1.00 0.00 C ATOM 0 HA PRO A 357 58.308 -5.855 -6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.993 -3.137 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.744 -4.328 -8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.232 -2.977 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.051 -4.057 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.741 -4.638 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.534 -5.704 -9.257 1.00 0.00 H new ATOM 301 N CYS A 358 58.267 -4.081 -4.874 1.00 0.00 N ATOM 302 CA CYS A 358 58.195 -3.841 -3.560 1.00 0.00 C ATOM 303 C CYS A 358 58.266 -2.419 -3.250 1.00 0.00 C ATOM 304 O CYS A 358 59.339 -1.845 -3.141 1.00 0.00 O ATOM 305 CB CYS A 358 59.243 -4.582 -2.930 1.00 0.00 C ATOM 306 SG CYS A 358 59.037 -4.801 -1.207 1.00 0.00 S ATOM 0 H CYS A 358 59.154 -3.855 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 358 57.226 -4.164 -3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.314 -5.562 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.190 -4.073 -3.109 1.00 0.00 H new ATOM 0 HG CYS A 358 58.580 -5.995 -0.973 1.00 0.00 H new ATOM 311 N THR A 359 57.152 -1.849 -3.141 1.00 0.00 N ATOM 312 CA THR A 359 57.037 -0.486 -2.779 1.00 0.00 C ATOM 313 C THR A 359 56.555 -0.414 -1.315 1.00 0.00 C ATOM 314 O THR A 359 55.493 0.078 -0.992 1.00 0.00 O ATOM 315 CB THR A 359 56.165 0.304 -3.851 1.00 0.00 C ATOM 316 OG1 THR A 359 55.906 1.665 -3.546 1.00 0.00 O ATOM 317 CG2 THR A 359 54.871 -0.399 -4.119 1.00 0.00 C ATOM 0 H THR A 359 56.259 -2.315 -3.302 1.00 0.00 H new ATOM 0 HA THR A 359 57.996 0.032 -2.803 1.00 0.00 H new ATOM 0 HB THR A 359 56.792 0.312 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.702 2.202 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.297 0.164 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.073 -1.399 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.300 -0.475 -3.194 1.00 0.00 H new ATOM 325 N ARG A 360 57.352 -1.072 -0.470 1.00 0.00 N ATOM 326 CA ARG A 360 57.160 -1.053 0.967 1.00 0.00 C ATOM 327 C ARG A 360 57.872 0.130 1.517 1.00 0.00 C ATOM 328 O ARG A 360 57.279 1.103 1.992 1.00 0.00 O ATOM 329 CB ARG A 360 57.748 -2.318 1.582 1.00 0.00 C ATOM 330 CG ARG A 360 56.942 -3.540 1.272 1.00 0.00 C ATOM 331 CD ARG A 360 57.176 -4.615 2.267 1.00 0.00 C ATOM 332 NE ARG A 360 56.626 -5.906 1.804 1.00 0.00 N ATOM 333 CZ ARG A 360 55.584 -6.554 2.354 1.00 0.00 C ATOM 334 NH1 ARG A 360 54.949 -6.064 3.420 1.00 0.00 N ATOM 335 NH2 ARG A 360 55.197 -7.708 1.837 1.00 0.00 N ATOM 0 H ARG A 360 58.149 -1.632 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 360 56.096 -1.003 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.765 -2.456 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.813 -2.195 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.883 -3.283 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.198 -3.903 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 360 58.246 -4.718 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.716 -4.341 3.216 1.00 0.00 H new ATOM 0 HE ARG A 360 57.075 -6.343 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.252 -5.182 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.161 -6.571 3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 360 55.687 -8.096 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.408 -8.210 2.244 1.00 0.00 H new ATOM 349 N SER A 361 59.156 0.043 1.385 1.00 0.00 N ATOM 350 CA SER A 361 60.073 1.013 1.791 1.00 0.00 C ATOM 351 C SER A 361 61.399 0.539 1.316 1.00 0.00 C ATOM 352 O SER A 361 61.505 -0.566 0.704 1.00 0.00 O ATOM 353 CB SER A 361 60.094 1.128 3.307 1.00 0.00 C ATOM 354 OG SER A 361 60.338 -0.142 3.887 1.00 0.00 O ATOM 0 H SER A 361 59.604 -0.769 0.960 1.00 0.00 H new ATOM 0 HA SER A 361 59.813 1.992 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.867 1.832 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.142 1.523 3.663 1.00 0.00 H new ATOM 0 HG SER A 361 60.352 -0.059 4.863 1.00 0.00 H new ATOM 360 N LEU A 362 62.379 1.292 1.611 1.00 0.00 N ATOM 361 CA LEU A 362 63.723 1.008 1.267 1.00 0.00 C ATOM 362 C LEU A 362 64.345 0.091 2.279 1.00 0.00 C ATOM 363 O LEU A 362 65.314 -0.577 2.011 1.00 0.00 O ATOM 364 CB LEU A 362 64.431 2.324 1.202 1.00 0.00 C ATOM 365 CG LEU A 362 63.879 3.232 0.125 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.523 4.596 0.130 1.00 0.00 C ATOM 367 CD2 LEU A 362 63.997 2.533 -1.207 1.00 0.00 C ATOM 0 H LEU A 362 62.269 2.167 2.123 1.00 0.00 H new ATOM 0 HA LEU A 362 63.790 0.493 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.351 2.823 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.492 2.153 1.018 1.00 0.00 H new ATOM 0 HG LEU A 362 62.826 3.425 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.090 5.206 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.350 5.076 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.595 4.493 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.602 3.178 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.045 2.313 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.429 1.603 -1.181 1.00 0.00 H new ATOM 379 N THR A 363 63.703 -0.013 3.388 1.00 0.00 N ATOM 380 CA THR A 363 64.201 -0.785 4.497 1.00 0.00 C ATOM 381 C THR A 363 63.258 -1.973 4.721 1.00 0.00 C ATOM 382 O THR A 363 63.264 -2.612 5.770 1.00 0.00 O ATOM 383 CB THR A 363 64.304 0.128 5.735 1.00 0.00 C ATOM 384 OG1 THR A 363 64.877 -0.529 6.870 1.00 0.00 O ATOM 385 CG2 THR A 363 62.953 0.711 6.069 1.00 0.00 C ATOM 0 H THR A 363 62.805 0.437 3.564 1.00 0.00 H new ATOM 0 HA THR A 363 65.198 -1.179 4.297 1.00 0.00 H new ATOM 0 HB THR A 363 64.988 0.937 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.549 -1.451 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.041 1.354 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.591 1.297 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.251 -0.096 6.279 1.00 0.00 H new ATOM 393 N CYS A 364 62.501 -2.251 3.641 1.00 0.00 N ATOM 394 CA CYS A 364 61.549 -3.345 3.484 1.00 0.00 C ATOM 395 C CYS A 364 61.806 -4.553 4.427 1.00 0.00 C ATOM 396 O CYS A 364 62.881 -5.176 4.369 1.00 0.00 O ATOM 397 CB CYS A 364 61.724 -3.821 2.101 1.00 0.00 C ATOM 398 SG CYS A 364 60.911 -5.357 1.769 1.00 0.00 S ATOM 0 H CYS A 364 62.549 -1.671 2.803 1.00 0.00 H new ATOM 0 HA CYS A 364 60.553 -2.972 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.345 -3.064 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.789 -3.932 1.896 1.00 0.00 H new ATOM 0 HG CYS A 364 60.195 -5.245 0.690 1.00 0.00 H new ATOM 403 N LYS A 365 60.778 -4.938 5.151 1.00 0.00 N ATOM 404 CA LYS A 365 60.820 -5.904 6.240 1.00 0.00 C ATOM 405 C LYS A 365 60.716 -7.332 5.732 1.00 0.00 C ATOM 406 O LYS A 365 60.858 -8.296 6.482 1.00 0.00 O ATOM 407 CB LYS A 365 59.604 -5.596 7.084 1.00 0.00 C ATOM 408 CG LYS A 365 59.587 -6.128 8.487 1.00 0.00 C ATOM 409 CD LYS A 365 58.270 -5.767 9.179 1.00 0.00 C ATOM 410 CE LYS A 365 57.942 -4.279 9.018 1.00 0.00 C ATOM 411 NZ LYS A 365 56.719 -3.890 9.745 1.00 0.00 N ATOM 0 H LYS A 365 59.840 -4.570 4.992 1.00 0.00 H new ATOM 0 HA LYS A 365 61.760 -5.828 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 365 59.493 -4.513 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.727 -5.983 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.713 -7.211 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.425 -5.716 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 365 57.461 -6.366 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.335 -6.014 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 365 58.781 -3.684 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.821 -4.049 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.540 -2.875 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 55.912 -4.437 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.842 -4.083 10.759 1.00 0.00 H new ATOM 425 N THR A 366 60.468 -7.458 4.488 1.00 0.00 N ATOM 426 CA THR A 366 60.213 -8.729 3.896 1.00 0.00 C ATOM 427 C THR A 366 61.454 -9.276 3.219 1.00 0.00 C ATOM 428 O THR A 366 61.673 -10.479 3.132 1.00 0.00 O ATOM 429 CB THR A 366 59.135 -8.527 2.859 1.00 0.00 C ATOM 430 OG1 THR A 366 57.991 -7.990 3.501 1.00 0.00 O ATOM 431 CG2 THR A 366 58.801 -9.797 2.083 1.00 0.00 C ATOM 0 H THR A 366 60.434 -6.676 3.834 1.00 0.00 H new ATOM 0 HA THR A 366 59.910 -9.440 4.664 1.00 0.00 H new ATOM 0 HB THR A 366 59.506 -7.829 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.200 -8.511 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 366 58.019 -9.583 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.692 -10.152 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.452 -10.565 2.774 1.00 0.00 H new ATOM 439 N HIS A 367 62.279 -8.385 2.799 1.00 0.00 N ATOM 440 CA HIS A 367 63.394 -8.741 1.993 1.00 0.00 C ATOM 441 C HIS A 367 64.633 -8.482 2.747 1.00 0.00 C ATOM 442 O HIS A 367 64.706 -7.494 3.458 1.00 0.00 O ATOM 443 CB HIS A 367 63.375 -7.949 0.659 1.00 0.00 C ATOM 444 CG HIS A 367 62.329 -8.398 -0.345 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.430 -7.523 -0.942 1.00 0.00 N ATOM 446 CD2 HIS A 367 62.122 -9.632 -0.856 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.735 -8.248 -1.761 1.00 0.00 C ATOM 448 NE2 HIS A 367 61.109 -9.528 -1.756 1.00 0.00 N ATOM 0 H HIS A 367 62.202 -7.389 3.003 1.00 0.00 H new ATOM 0 HA HIS A 367 63.344 -9.801 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 367 63.211 -6.895 0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 367 64.358 -8.027 0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 367 62.661 -10.532 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.940 -7.858 -2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 367 60.712 -10.281 -2.318 1.00 0.00 H new ATOM 456 N SER A 368 65.577 -9.360 2.629 1.00 0.00 N ATOM 457 CA SER A 368 66.812 -9.181 3.278 1.00 0.00 C ATOM 458 C SER A 368 67.716 -8.262 2.547 1.00 0.00 C ATOM 459 O SER A 368 67.533 -8.020 1.349 1.00 0.00 O ATOM 460 CB SER A 368 67.445 -10.492 3.633 1.00 0.00 C ATOM 461 OG SER A 368 67.404 -11.400 2.574 1.00 0.00 O ATOM 0 H SER A 368 65.503 -10.216 2.079 1.00 0.00 H new ATOM 0 HA SER A 368 66.609 -8.678 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.481 -10.326 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.934 -10.919 4.496 1.00 0.00 H new ATOM 0 HG SER A 368 67.828 -12.240 2.847 1.00 0.00 H new ATOM 467 N LEU A 369 68.658 -7.724 3.280 1.00 0.00 N ATOM 468 CA LEU A 369 69.623 -6.762 2.818 1.00 0.00 C ATOM 469 C LEU A 369 70.226 -7.146 1.493 1.00 0.00 C ATOM 470 O LEU A 369 70.251 -6.326 0.558 1.00 0.00 O ATOM 471 CB LEU A 369 70.683 -6.571 3.920 1.00 0.00 C ATOM 472 CG LEU A 369 71.912 -5.670 3.645 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.981 -6.404 2.854 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.491 -4.439 2.882 1.00 0.00 C ATOM 0 H LEU A 369 68.777 -7.958 4.266 1.00 0.00 H new ATOM 0 HA LEU A 369 69.126 -5.810 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.174 -6.171 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 369 71.056 -7.559 4.190 1.00 0.00 H new ATOM 0 HG LEU A 369 72.332 -5.387 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.827 -5.739 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.315 -7.277 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.570 -6.724 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.362 -3.812 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 369 71.044 -4.734 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.761 -3.880 3.468 1.00 0.00 H new ATOM 486 N THR A 370 70.628 -8.377 1.375 1.00 0.00 N ATOM 487 CA THR A 370 71.288 -8.811 0.173 1.00 0.00 C ATOM 488 C THR A 370 70.322 -8.773 -1.013 1.00 0.00 C ATOM 489 O THR A 370 70.705 -8.476 -2.134 1.00 0.00 O ATOM 490 CB THR A 370 71.922 -10.197 0.335 1.00 0.00 C ATOM 491 OG1 THR A 370 72.758 -10.183 1.517 1.00 0.00 O ATOM 492 CG2 THR A 370 72.783 -10.498 -0.877 1.00 0.00 C ATOM 0 H THR A 370 70.513 -9.096 2.089 1.00 0.00 H new ATOM 0 HA THR A 370 72.103 -8.115 -0.027 1.00 0.00 H new ATOM 0 HB THR A 370 71.146 -10.956 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 370 73.170 -11.064 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 370 73.236 -11.483 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 370 72.165 -10.482 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.567 -9.746 -0.962 1.00 0.00 H new ATOM 500 N GLN A 371 69.056 -8.968 -0.719 1.00 0.00 N ATOM 501 CA GLN A 371 68.027 -9.037 -1.746 1.00 0.00 C ATOM 502 C GLN A 371 67.724 -7.644 -2.246 1.00 0.00 C ATOM 503 O GLN A 371 67.413 -7.449 -3.413 1.00 0.00 O ATOM 504 CB GLN A 371 66.755 -9.676 -1.205 1.00 0.00 C ATOM 505 CG GLN A 371 67.030 -10.860 -0.315 1.00 0.00 C ATOM 506 CD GLN A 371 65.827 -11.725 -0.030 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.941 -12.932 0.147 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.689 -11.115 0.078 1.00 0.00 N ATOM 0 H GLN A 371 68.706 -9.083 0.232 1.00 0.00 H new ATOM 0 HA GLN A 371 68.396 -9.654 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.189 -8.931 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.129 -9.992 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.801 -11.475 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.435 -10.500 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.633 -10.108 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.849 -11.641 0.318 1.00 0.00 H new ATOM 517 N ARG A 372 67.808 -6.662 -1.345 1.00 0.00 N ATOM 518 CA ARG A 372 67.627 -5.284 -1.763 1.00 0.00 C ATOM 519 C ARG A 372 68.801 -4.843 -2.610 1.00 0.00 C ATOM 520 O ARG A 372 68.613 -4.170 -3.616 1.00 0.00 O ATOM 521 CB ARG A 372 67.483 -4.276 -0.635 1.00 0.00 C ATOM 522 CG ARG A 372 66.239 -4.316 0.230 1.00 0.00 C ATOM 523 CD ARG A 372 66.342 -5.361 1.292 1.00 0.00 C ATOM 524 NE ARG A 372 65.651 -4.995 2.509 1.00 0.00 N ATOM 525 CZ ARG A 372 66.229 -4.449 3.599 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.465 -3.986 3.531 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.545 -4.350 4.734 1.00 0.00 N ATOM 0 H ARG A 372 67.995 -6.795 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 372 66.686 -5.290 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.345 -4.392 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.548 -3.280 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.085 -3.341 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.367 -4.515 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.932 -6.298 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.393 -5.541 1.517 1.00 0.00 H new ATOM 0 HE ARG A 372 64.646 -5.163 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.983 -4.041 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.901 -3.573 4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.583 -4.687 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 372 65.982 -3.937 5.558 1.00 0.00 H new ATOM 541 N ARG A 373 70.024 -5.218 -2.179 1.00 0.00 N ATOM 542 CA ARG A 373 71.236 -4.883 -2.920 1.00 0.00 C ATOM 543 C ARG A 373 71.215 -5.529 -4.299 1.00 0.00 C ATOM 544 O ARG A 373 71.658 -4.939 -5.282 1.00 0.00 O ATOM 545 CB ARG A 373 72.479 -5.348 -2.152 1.00 0.00 C ATOM 546 CG ARG A 373 72.909 -4.441 -1.021 1.00 0.00 C ATOM 547 CD ARG A 373 74.171 -4.969 -0.353 1.00 0.00 C ATOM 548 NE ARG A 373 74.775 -3.994 0.571 1.00 0.00 N ATOM 549 CZ ARG A 373 75.705 -4.265 1.504 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.123 -5.505 1.703 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.191 -3.285 2.240 1.00 0.00 N ATOM 0 H ARG A 373 70.187 -5.750 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 373 71.274 -3.800 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.287 -6.342 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.307 -5.445 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 373 73.088 -3.436 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 373 72.108 -4.365 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.933 -5.882 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.898 -5.236 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 373 74.460 -3.027 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.739 -6.268 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.829 -5.697 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.861 -2.330 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.897 -3.482 2.950 1.00 0.00 H new ATOM 565 N ALA A 374 70.687 -6.738 -4.341 1.00 0.00 N ATOM 566 CA ALA A 374 70.586 -7.526 -5.570 1.00 0.00 C ATOM 567 C ALA A 374 69.756 -6.849 -6.672 1.00 0.00 C ATOM 568 O ALA A 374 70.135 -6.883 -7.842 1.00 0.00 O ATOM 569 CB ALA A 374 70.042 -8.919 -5.279 1.00 0.00 C ATOM 0 H ALA A 374 70.311 -7.211 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 374 71.603 -7.605 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.976 -9.485 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.709 -9.433 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.051 -8.837 -4.833 1.00 0.00 H new ATOM 575 N VAL A 375 68.645 -6.247 -6.320 1.00 0.00 N ATOM 576 CA VAL A 375 67.812 -5.625 -7.330 1.00 0.00 C ATOM 577 C VAL A 375 68.326 -4.205 -7.638 1.00 0.00 C ATOM 578 O VAL A 375 68.556 -3.389 -6.733 1.00 0.00 O ATOM 579 CB VAL A 375 66.298 -5.591 -6.917 1.00 0.00 C ATOM 580 CG1 VAL A 375 66.053 -4.624 -5.771 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.411 -5.254 -8.112 1.00 0.00 C ATOM 0 H VAL A 375 68.299 -6.173 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 375 67.879 -6.234 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 375 66.033 -6.589 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.994 -4.627 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.639 -4.931 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.350 -3.620 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.368 -5.237 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.687 -4.276 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.544 -6.008 -8.888 1.00 0.00 H new ATOM 591 N GLN A 376 68.523 -3.920 -8.896 1.00 0.00 N ATOM 592 CA GLN A 376 68.951 -2.602 -9.317 1.00 0.00 C ATOM 593 C GLN A 376 67.729 -1.735 -9.647 1.00 0.00 C ATOM 594 O GLN A 376 67.580 -1.216 -10.756 1.00 0.00 O ATOM 595 CB GLN A 376 69.927 -2.700 -10.498 1.00 0.00 C ATOM 596 CG GLN A 376 69.455 -3.619 -11.615 1.00 0.00 C ATOM 597 CD GLN A 376 70.359 -3.619 -12.827 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.903 -3.829 -13.953 1.00 0.00 O ATOM 599 NE2 GLN A 376 71.628 -3.388 -12.626 1.00 0.00 N ATOM 0 H GLN A 376 68.394 -4.585 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 376 69.488 -2.121 -8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 376 70.089 -1.702 -10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.890 -3.055 -10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.380 -4.636 -11.229 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.453 -3.319 -11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 376 71.972 -3.218 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 376 72.276 -3.377 -13.414 1.00 0.00 H new ATOM 608 N GLY A 377 66.843 -1.630 -8.677 1.00 0.00 N ATOM 609 CA GLY A 377 65.614 -0.876 -8.836 1.00 0.00 C ATOM 610 C GLY A 377 65.838 0.604 -8.738 1.00 0.00 C ATOM 611 O GLY A 377 65.323 1.384 -9.538 1.00 0.00 O ATOM 0 H GLY A 377 66.953 -2.063 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 377 65.169 -1.111 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.900 -1.185 -8.073 1.00 0.00 H new ATOM 615 N ARG A 378 66.651 0.980 -7.802 1.00 0.00 N ATOM 616 CA ARG A 378 66.911 2.358 -7.516 1.00 0.00 C ATOM 617 C ARG A 378 67.853 2.892 -8.564 1.00 0.00 C ATOM 618 O ARG A 378 68.452 2.118 -9.331 1.00 0.00 O ATOM 619 CB ARG A 378 67.573 2.434 -6.175 1.00 0.00 C ATOM 620 CG ARG A 378 66.829 1.708 -5.077 1.00 0.00 C ATOM 621 CD ARG A 378 67.815 1.170 -4.116 1.00 0.00 C ATOM 622 NE ARG A 378 67.167 0.178 -3.331 1.00 0.00 N ATOM 623 CZ ARG A 378 66.994 -1.067 -3.767 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.446 -1.413 -4.966 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.390 -1.956 -3.015 1.00 0.00 N ATOM 0 H ARG A 378 67.161 0.329 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 378 65.989 2.939 -7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.578 2.019 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.682 3.482 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.141 2.387 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.229 0.900 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.667 0.742 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.201 1.967 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 378 66.824 0.429 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.924 -0.726 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.316 -2.366 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.050 -1.695 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.261 -2.909 -3.356 1.00 0.00 H new ATOM 639 N ARG A 379 68.028 4.179 -8.600 1.00 0.00 N ATOM 640 CA ARG A 379 68.909 4.758 -9.585 1.00 0.00 C ATOM 641 C ARG A 379 70.332 4.746 -9.101 1.00 0.00 C ATOM 642 O ARG A 379 71.268 5.053 -9.835 1.00 0.00 O ATOM 643 CB ARG A 379 68.453 6.145 -9.969 1.00 0.00 C ATOM 644 CG ARG A 379 68.498 7.199 -8.910 1.00 0.00 C ATOM 645 CD ARG A 379 67.590 8.323 -9.328 1.00 0.00 C ATOM 646 NE ARG A 379 67.968 8.895 -10.635 1.00 0.00 N ATOM 647 CZ ARG A 379 67.251 8.764 -11.775 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.240 7.906 -11.842 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.596 9.444 -12.857 1.00 0.00 N ATOM 0 H ARG A 379 67.582 4.846 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 379 68.868 4.146 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 379 69.065 6.482 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.427 6.075 -10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 379 68.179 6.789 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 379 69.517 7.562 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.564 7.958 -9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 379 67.614 9.107 -8.571 1.00 0.00 H new ATOM 0 HE ARG A 379 68.835 9.430 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.998 7.339 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.705 7.814 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.403 10.067 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.055 9.345 -13.716 1.00 0.00 H new ATOM 663 N LYS A 380 70.490 4.374 -7.859 1.00 0.00 N ATOM 664 CA LYS A 380 71.731 4.321 -7.215 1.00 0.00 C ATOM 665 C LYS A 380 71.826 2.922 -6.647 1.00 0.00 C ATOM 666 O LYS A 380 70.882 2.120 -6.831 1.00 0.00 O ATOM 667 CB LYS A 380 71.658 5.327 -6.084 1.00 0.00 C ATOM 668 CG LYS A 380 71.105 6.656 -6.522 1.00 0.00 C ATOM 669 CD LYS A 380 70.727 7.531 -5.372 1.00 0.00 C ATOM 670 CE LYS A 380 70.005 8.760 -5.905 1.00 0.00 C ATOM 671 NZ LYS A 380 69.787 9.778 -4.858 1.00 0.00 N ATOM 0 H LYS A 380 69.712 4.092 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 380 72.582 4.539 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.035 4.925 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.655 5.472 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.846 7.169 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.230 6.491 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.085 6.987 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.616 7.828 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.586 9.196 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.044 8.461 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 69.369 10.630 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.142 9.400 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.696 10.022 -4.416 1.00 0.00 H new ATOM 685 N ARG A 381 72.904 2.616 -5.961 1.00 0.00 N ATOM 686 CA ARG A 381 73.005 1.335 -5.265 1.00 0.00 C ATOM 687 C ARG A 381 72.029 1.347 -4.141 1.00 0.00 C ATOM 688 O ARG A 381 71.463 2.389 -3.799 1.00 0.00 O ATOM 689 CB ARG A 381 74.386 1.099 -4.676 1.00 0.00 C ATOM 690 CG ARG A 381 75.506 1.312 -5.627 1.00 0.00 C ATOM 691 CD ARG A 381 76.816 0.914 -5.007 1.00 0.00 C ATOM 692 NE ARG A 381 77.949 1.294 -5.830 1.00 0.00 N ATOM 693 CZ ARG A 381 79.201 1.423 -5.386 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.508 1.094 -4.129 1.00 0.00 N ATOM 695 NH2 ARG A 381 80.145 1.856 -6.209 1.00 0.00 N ATOM 0 H ARG A 381 73.719 3.222 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 381 72.805 0.544 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.521 1.762 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.436 0.078 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.336 0.730 -6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.543 2.360 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.909 1.381 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.829 -0.164 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 381 77.776 1.476 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.784 0.742 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.467 1.195 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.913 2.088 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 381 81.104 1.957 -5.877 1.00 0.00 H new ATOM 709 N PHE A 382 71.852 0.250 -3.543 1.00 0.00 N ATOM 710 CA PHE A 382 70.909 0.153 -2.493 1.00 0.00 C ATOM 711 C PHE A 382 71.365 0.862 -1.231 1.00 0.00 C ATOM 712 O PHE A 382 70.586 1.523 -0.580 1.00 0.00 O ATOM 713 CB PHE A 382 70.558 -1.291 -2.219 1.00 0.00 C ATOM 714 CG PHE A 382 69.780 -1.459 -0.964 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.561 -0.869 -0.848 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.287 -2.143 0.106 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.837 -0.947 0.285 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.569 -2.219 1.265 1.00 0.00 C ATOM 719 CZ PHE A 382 68.338 -1.618 1.348 1.00 0.00 C ATOM 0 H PHE A 382 72.350 -0.614 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 382 70.008 0.668 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.982 -1.687 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.474 -1.879 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.161 -0.322 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.252 -2.622 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.866 -0.478 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.969 -2.751 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.768 -1.681 2.263 1.00 0.00 H new ATOM 729 N ASP A 383 72.605 0.748 -0.928 1.00 0.00 N ATOM 730 CA ASP A 383 73.155 1.280 0.321 1.00 0.00 C ATOM 731 C ASP A 383 73.132 2.767 0.355 1.00 0.00 C ATOM 732 O ASP A 383 72.719 3.363 1.335 1.00 0.00 O ATOM 733 CB ASP A 383 74.556 0.824 0.522 1.00 0.00 C ATOM 734 CG ASP A 383 74.661 -0.641 0.764 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.564 -1.426 -0.198 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.846 -1.042 1.933 1.00 0.00 O ATOM 0 H ASP A 383 73.292 0.286 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 383 72.520 0.900 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.147 1.085 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.989 1.358 1.368 1.00 0.00 H new ATOM 741 N VAL A 384 73.561 3.357 -0.726 1.00 0.00 N ATOM 742 CA VAL A 384 73.614 4.797 -0.868 1.00 0.00 C ATOM 743 C VAL A 384 72.219 5.385 -0.789 1.00 0.00 C ATOM 744 O VAL A 384 71.994 6.474 -0.269 1.00 0.00 O ATOM 745 CB VAL A 384 74.276 5.140 -2.208 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.428 4.746 -3.398 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.775 6.571 -2.287 1.00 0.00 C ATOM 0 H VAL A 384 73.889 2.850 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 384 74.202 5.226 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 384 75.171 4.520 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.947 5.013 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.252 3.670 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.474 5.271 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.232 6.744 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 384 73.938 7.256 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.514 6.742 -1.505 1.00 0.00 H new ATOM 757 N LEU A 385 71.314 4.620 -1.287 1.00 0.00 N ATOM 758 CA LEU A 385 69.965 4.914 -1.317 1.00 0.00 C ATOM 759 C LEU A 385 69.373 4.751 0.084 1.00 0.00 C ATOM 760 O LEU A 385 68.606 5.593 0.551 1.00 0.00 O ATOM 761 CB LEU A 385 69.332 3.951 -2.326 1.00 0.00 C ATOM 762 CG LEU A 385 67.900 4.132 -2.654 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.113 3.439 -1.608 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.582 5.609 -2.708 1.00 0.00 C ATOM 0 H LEU A 385 71.533 3.717 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 385 69.773 5.943 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.899 4.020 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.463 2.937 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 385 67.653 3.710 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.049 3.552 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.371 2.380 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.339 3.874 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.528 5.746 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.794 6.063 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.194 6.085 -3.474 1.00 0.00 H new ATOM 776 N LEU A 386 69.714 3.659 0.738 1.00 0.00 N ATOM 777 CA LEU A 386 69.218 3.403 2.081 1.00 0.00 C ATOM 778 C LEU A 386 69.747 4.480 3.006 1.00 0.00 C ATOM 779 O LEU A 386 69.113 4.820 3.969 1.00 0.00 O ATOM 780 CB LEU A 386 69.683 2.068 2.606 1.00 0.00 C ATOM 781 CG LEU A 386 68.640 1.126 3.286 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.345 0.056 4.090 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.611 1.850 4.150 1.00 0.00 C ATOM 0 H LEU A 386 70.330 2.936 0.366 1.00 0.00 H new ATOM 0 HA LEU A 386 68.129 3.401 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.128 1.522 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.479 2.255 3.327 1.00 0.00 H new ATOM 0 HG LEU A 386 68.075 0.671 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.606 -0.593 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 386 69.981 -0.535 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 386 69.957 0.524 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 386 66.925 1.123 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.121 2.390 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.051 2.555 3.535 1.00 0.00 H new ATOM 795 N ALA A 387 70.919 5.006 2.684 1.00 0.00 N ATOM 796 CA ALA A 387 71.520 6.093 3.439 1.00 0.00 C ATOM 797 C ALA A 387 70.612 7.320 3.399 1.00 0.00 C ATOM 798 O ALA A 387 70.442 8.022 4.403 1.00 0.00 O ATOM 799 CB ALA A 387 72.890 6.420 2.880 1.00 0.00 C ATOM 0 H ALA A 387 71.479 4.691 1.892 1.00 0.00 H new ATOM 0 HA ALA A 387 71.638 5.785 4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.331 7.236 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.530 5.541 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.795 6.719 1.836 1.00 0.00 H new ATOM 805 N GLU A 388 69.984 7.543 2.250 1.00 0.00 N ATOM 806 CA GLU A 388 69.051 8.630 2.076 1.00 0.00 C ATOM 807 C GLU A 388 67.803 8.313 2.880 1.00 0.00 C ATOM 808 O GLU A 388 67.211 9.193 3.525 1.00 0.00 O ATOM 809 CB GLU A 388 68.680 8.763 0.613 1.00 0.00 C ATOM 810 CG GLU A 388 69.852 8.820 -0.336 1.00 0.00 C ATOM 811 CD GLU A 388 69.487 9.322 -1.708 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.713 8.666 -2.448 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.989 10.394 -2.096 1.00 0.00 O ATOM 0 H GLU A 388 70.113 6.969 1.417 1.00 0.00 H new ATOM 0 HA GLU A 388 69.500 9.564 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.047 7.920 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.083 9.666 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.621 9.467 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.286 7.824 -0.425 1.00 0.00 H new ATOM 820 N HIS A 389 67.416 7.035 2.849 1.00 0.00 N ATOM 821 CA HIS A 389 66.309 6.540 3.637 1.00 0.00 C ATOM 822 C HIS A 389 66.552 6.769 5.080 1.00 0.00 C ATOM 823 O HIS A 389 65.695 7.224 5.745 1.00 0.00 O ATOM 824 CB HIS A 389 66.012 5.072 3.383 1.00 0.00 C ATOM 825 CG HIS A 389 64.940 4.554 4.263 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.675 5.035 4.275 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.035 3.726 5.286 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.051 4.534 5.298 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.863 3.719 5.920 1.00 0.00 N ATOM 0 H HIS A 389 67.867 6.323 2.274 1.00 0.00 H new ATOM 0 HA HIS A 389 65.430 7.102 3.323 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.720 4.938 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 389 66.919 4.488 3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.278 5.683 3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.909 3.154 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.034 4.753 5.586 1.00 0.00 H new ATOM 838 N LYS A 390 67.688 6.408 5.557 1.00 0.00 N ATOM 839 CA LYS A 390 68.017 6.620 6.934 1.00 0.00 C ATOM 840 C LYS A 390 68.144 8.055 7.268 1.00 0.00 C ATOM 841 O LYS A 390 67.881 8.439 8.333 1.00 0.00 O ATOM 842 CB LYS A 390 69.212 5.832 7.328 1.00 0.00 C ATOM 843 CG LYS A 390 69.035 4.369 6.963 1.00 0.00 C ATOM 844 CD LYS A 390 67.760 3.777 7.572 1.00 0.00 C ATOM 845 CE LYS A 390 67.954 3.485 9.037 1.00 0.00 C ATOM 846 NZ LYS A 390 69.055 2.524 9.297 1.00 0.00 N ATOM 0 H LYS A 390 68.421 5.957 5.010 1.00 0.00 H new ATOM 0 HA LYS A 390 67.181 6.251 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.097 6.231 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.378 5.927 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.000 4.267 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 390 69.899 3.802 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 390 66.932 4.474 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.492 2.861 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.161 4.417 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.027 3.086 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 68.731 1.798 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.337 2.070 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 69.869 3.030 9.701 1.00 0.00 H new ATOM 860 N ASN A 391 68.496 8.853 6.362 1.00 0.00 N ATOM 861 CA ASN A 391 68.511 10.258 6.675 1.00 0.00 C ATOM 862 C ASN A 391 67.075 10.792 6.883 1.00 0.00 C ATOM 863 O ASN A 391 66.867 11.826 7.520 1.00 0.00 O ATOM 864 CB ASN A 391 69.318 11.058 5.652 1.00 0.00 C ATOM 865 CG ASN A 391 70.780 11.203 6.019 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.176 12.161 6.692 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.591 10.272 5.593 1.00 0.00 N ATOM 0 H ASN A 391 68.776 8.598 5.415 1.00 0.00 H new ATOM 0 HA ASN A 391 69.030 10.394 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.242 10.571 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 391 68.877 12.049 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.586 10.322 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.230 9.495 5.040 1.00 0.00 H new ATOM 874 N LYS A 392 66.104 10.089 6.331 1.00 0.00 N ATOM 875 CA LYS A 392 64.714 10.369 6.543 1.00 0.00 C ATOM 876 C LYS A 392 64.179 9.530 7.742 1.00 0.00 C ATOM 877 O LYS A 392 63.847 10.052 8.798 1.00 0.00 O ATOM 878 CB LYS A 392 63.940 9.986 5.290 1.00 0.00 C ATOM 879 CG LYS A 392 62.478 10.348 5.340 1.00 0.00 C ATOM 880 CD LYS A 392 62.261 11.836 5.084 1.00 0.00 C ATOM 881 CE LYS A 392 60.783 12.197 5.018 1.00 0.00 C ATOM 882 NZ LYS A 392 60.099 12.031 6.317 1.00 0.00 N ATOM 0 H LYS A 392 66.272 9.295 5.713 1.00 0.00 H new ATOM 0 HA LYS A 392 64.587 11.430 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.396 10.475 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.033 8.912 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 392 61.933 9.767 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.069 10.082 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 392 62.740 12.413 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.744 12.117 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 392 60.680 13.230 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 392 60.293 11.572 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 59.101 12.306 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.157 11.036 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.557 12.634 7.030 1.00 0.00 H new ATOM 896 N THR A 393 64.182 8.225 7.543 1.00 0.00 N ATOM 897 CA THR A 393 63.609 7.226 8.419 1.00 0.00 C ATOM 898 C THR A 393 64.716 6.306 9.004 1.00 0.00 C ATOM 899 O THR A 393 64.774 5.091 8.789 1.00 0.00 O ATOM 900 CB THR A 393 62.670 6.385 7.606 1.00 0.00 C ATOM 901 OG1 THR A 393 61.802 7.233 6.857 1.00 0.00 O ATOM 902 CG2 THR A 393 61.853 5.443 8.467 1.00 0.00 C ATOM 0 H THR A 393 64.611 7.812 6.715 1.00 0.00 H new ATOM 0 HA THR A 393 63.094 7.720 9.243 1.00 0.00 H new ATOM 0 HB THR A 393 63.270 5.772 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.189 6.685 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.188 4.855 7.834 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.521 4.775 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.261 6.020 9.177 1.00 0.00 H new ATOM 910 N ARG A 394 65.617 6.959 9.554 1.00 0.00 N ATOM 911 CA ARG A 394 66.753 6.484 10.386 1.00 0.00 C ATOM 912 C ARG A 394 66.447 5.457 11.520 1.00 0.00 C ATOM 913 O ARG A 394 67.286 5.243 12.392 1.00 0.00 O ATOM 914 CB ARG A 394 67.504 7.690 10.945 1.00 0.00 C ATOM 915 CG ARG A 394 66.681 8.658 11.709 1.00 0.00 C ATOM 916 CD ARG A 394 67.537 9.766 12.251 1.00 0.00 C ATOM 917 NE ARG A 394 68.299 10.436 11.195 1.00 0.00 N ATOM 918 CZ ARG A 394 68.207 11.725 10.879 1.00 0.00 C ATOM 919 NH1 ARG A 394 67.248 12.477 11.410 1.00 0.00 N ATOM 920 NH2 ARG A 394 69.052 12.248 10.004 1.00 0.00 N ATOM 0 H ARG A 394 65.639 7.974 9.461 1.00 0.00 H new ATOM 0 HA ARG A 394 67.360 5.899 9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.304 7.330 11.592 1.00 0.00 H new ATOM 0 HB3 ARG A 394 67.977 8.217 10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 394 65.905 9.072 11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.176 8.147 12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 394 66.907 10.494 12.762 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.225 9.363 12.994 1.00 0.00 H new ATOM 0 HE ARG A 394 68.954 9.868 10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 394 66.580 12.066 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 394 67.180 13.465 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 394 69.769 11.663 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 394 68.985 13.236 9.758 1.00 0.00 H new