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= -0.677 K(o=0.46,f=-4.3!) USER MOD Set 1.2: A 359 THR OG1 : rot 81:sc= 1.13 USER MOD Set 2.1: A 347 CYS SG : rot 171:sc= -0.995 USER MOD Set 2.2: A 358 CYS SG : rot 130:sc= -0.58 USER MOD Set 2.3: A 364 CYS SG : rot 132:sc= 1.1 USER MOD Set 2.4: A 366 THR OG1 : rot -90:sc= -0.157 USER MOD Set 2.5: A 367 HIS : no HE2:sc= -1.02 K(o=-1.7,f=-3.7!) USER MOD Set 2.6: A 371 GLN :FLIP amide:sc= 0 F(o=-4.5,f=-1.7) USER MOD Set 3.1: A 354 THR OG1 : rot 27:sc= -0.528! USER MOD Set 3.2: A 356 LYS NZ :NH3+ -148:sc= 2.44 (180deg=0.82) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc=0.000894 USER MOD Single : A 363 THR OG1 : rot -48:sc= -0.0212 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 180:sc= -1.44! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.614) USER MOD Single : A 389 HIS :FLIP no HD1:sc= -5.77! C(o=-6.6!,f=-5.8!) USER MOD Single : A 390 LYS NZ :NH3+ -160:sc= -0.348 (180deg=-1.3!) USER MOD Single : A 391 ASN : amide:sc= 1.13 K(o=1.1,f=-0.043) 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 54.442 1.791 -7.356 1.00 0.00 N ATOM 41 CA PHE A 341 55.823 1.313 -7.178 1.00 0.00 C ATOM 42 C PHE A 341 56.823 2.257 -7.793 1.00 0.00 C ATOM 43 O PHE A 341 56.827 2.513 -9.002 1.00 0.00 O ATOM 44 CB PHE A 341 56.036 -0.057 -7.837 1.00 0.00 C ATOM 45 CG PHE A 341 57.483 -0.431 -7.866 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.168 -0.627 -6.697 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.161 -0.541 -9.062 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.478 -0.930 -6.704 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.489 -0.858 -9.083 1.00 0.00 C ATOM 50 CZ PHE A 341 60.155 -1.054 -7.901 1.00 0.00 C ATOM 0 HA PHE A 341 55.975 1.247 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.474 -0.815 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.643 -0.038 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.648 -0.537 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.636 -0.375 -9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.002 -1.077 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.011 -0.954 -10.024 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.206 -1.305 -7.906 1.00 0.00 H new ATOM 60 N ASP A 342 57.652 2.758 -6.944 1.00 0.00 N ATOM 61 CA ASP A 342 58.667 3.684 -7.343 1.00 0.00 C ATOM 62 C ASP A 342 59.998 3.015 -7.238 1.00 0.00 C ATOM 63 O ASP A 342 60.513 2.883 -6.150 1.00 0.00 O ATOM 64 CB ASP A 342 58.705 4.992 -6.502 1.00 0.00 C ATOM 65 CG ASP A 342 57.557 5.940 -6.737 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.241 6.224 -7.918 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.966 6.447 -5.746 1.00 0.00 O ATOM 0 H ASP A 342 57.649 2.539 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 342 58.430 3.976 -8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.724 4.725 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.637 5.515 -6.716 1.00 0.00 H new ATOM 72 N PRO A 343 60.582 2.544 -8.333 1.00 0.00 N ATOM 73 CA PRO A 343 61.863 1.861 -8.267 1.00 0.00 C ATOM 74 C PRO A 343 62.985 2.747 -7.770 1.00 0.00 C ATOM 75 O PRO A 343 63.830 2.309 -7.018 1.00 0.00 O ATOM 76 CB PRO A 343 62.127 1.399 -9.692 1.00 0.00 C ATOM 77 CG PRO A 343 61.244 2.223 -10.552 1.00 0.00 C ATOM 78 CD PRO A 343 60.047 2.581 -9.713 1.00 0.00 C ATOM 0 HA PRO A 343 61.827 1.039 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.174 1.537 -9.960 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.906 0.338 -9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.761 3.120 -10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.943 1.670 -11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.656 3.566 -9.968 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.232 1.870 -9.849 1.00 0.00 H new ATOM 86 N ASP A 344 62.937 4.015 -8.133 1.00 0.00 N ATOM 87 CA ASP A 344 64.005 4.958 -7.800 1.00 0.00 C ATOM 88 C ASP A 344 64.061 5.247 -6.324 1.00 0.00 C ATOM 89 O ASP A 344 65.053 5.802 -5.828 1.00 0.00 O ATOM 90 CB ASP A 344 63.828 6.296 -8.527 1.00 0.00 C ATOM 91 CG ASP A 344 63.826 6.182 -10.016 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.868 5.861 -10.594 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.776 6.439 -10.644 1.00 0.00 O ATOM 0 H ASP A 344 62.167 4.424 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 344 64.930 4.477 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.891 6.751 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.629 6.971 -8.225 1.00 0.00 H new ATOM 98 N ILE A 345 63.013 4.889 -5.624 1.00 0.00 N ATOM 99 CA ILE A 345 62.908 5.252 -4.234 1.00 0.00 C ATOM 100 C ILE A 345 62.654 4.024 -3.357 1.00 0.00 C ATOM 101 O ILE A 345 63.138 3.940 -2.252 1.00 0.00 O ATOM 102 CB ILE A 345 61.790 6.359 -4.003 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.489 5.784 -3.450 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.513 7.131 -5.288 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.394 6.816 -3.235 1.00 0.00 C ATOM 0 H ILE A 345 62.227 4.351 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 345 63.865 5.683 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 345 62.188 7.040 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.123 5.019 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.698 5.289 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.745 7.882 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.427 7.622 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.169 6.442 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.504 6.325 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.738 7.569 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 345 59.154 7.295 -4.184 1.00 0.00 H new ATOM 117 N HIS A 346 61.938 3.061 -3.877 1.00 0.00 N ATOM 118 CA HIS A 346 61.512 1.955 -3.087 1.00 0.00 C ATOM 119 C HIS A 346 62.307 0.700 -3.267 1.00 0.00 C ATOM 120 O HIS A 346 63.244 0.620 -4.048 1.00 0.00 O ATOM 121 CB HIS A 346 60.018 1.702 -3.243 1.00 0.00 C ATOM 122 CG HIS A 346 59.207 2.638 -2.424 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.182 3.373 -2.946 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.304 2.889 -1.109 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.679 4.055 -1.915 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.333 3.783 -0.798 1.00 0.00 N ATOM 0 H HIS A 346 61.640 3.029 -4.852 1.00 0.00 H new ATOM 0 HA HIS A 346 61.711 2.257 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.741 1.804 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.792 0.676 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 346 60.022 2.459 -0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.847 4.740 -1.984 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.143 4.173 0.125 1.00 0.00 H new ATOM 134 N CYS A 347 61.887 -0.283 -2.507 1.00 0.00 N ATOM 135 CA CYS A 347 62.545 -1.578 -2.389 1.00 0.00 C ATOM 136 C CYS A 347 62.732 -2.304 -3.733 1.00 0.00 C ATOM 137 O CYS A 347 63.783 -2.858 -3.963 1.00 0.00 O ATOM 138 CB CYS A 347 61.764 -2.432 -1.376 1.00 0.00 C ATOM 139 SG CYS A 347 62.445 -4.101 -0.929 1.00 0.00 S ATOM 0 H CYS A 347 61.049 -0.208 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 347 63.561 -1.410 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.668 -1.854 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.757 -2.577 -1.768 1.00 0.00 H new ATOM 0 HG CYS A 347 61.773 -4.590 0.070 1.00 0.00 H new ATOM 144 N GLY A 348 61.688 -2.391 -4.547 1.00 0.00 N ATOM 145 CA GLY A 348 61.844 -3.003 -5.867 1.00 0.00 C ATOM 146 C GLY A 348 61.975 -4.503 -5.856 1.00 0.00 C ATOM 147 O GLY A 348 62.032 -5.122 -6.911 1.00 0.00 O ATOM 0 H GLY A 348 60.749 -2.058 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.986 -2.732 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.726 -2.579 -6.347 1.00 0.00 H new ATOM 151 N VAL A 349 61.961 -5.097 -4.681 1.00 0.00 N ATOM 152 CA VAL A 349 62.139 -6.530 -4.590 1.00 0.00 C ATOM 153 C VAL A 349 60.825 -7.109 -4.698 1.00 0.00 C ATOM 154 O VAL A 349 59.979 -6.900 -3.827 1.00 0.00 O ATOM 155 CB VAL A 349 62.794 -7.034 -3.268 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.074 -8.535 -3.333 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.058 -6.290 -2.929 1.00 0.00 C ATOM 0 H VAL A 349 61.830 -4.619 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 349 62.826 -6.826 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 349 62.074 -6.837 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.531 -8.861 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.139 -9.073 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.753 -8.743 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.472 -6.681 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.783 -6.420 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.835 -5.230 -2.809 1.00 0.00 H new ATOM 167 N ILE A 350 60.631 -7.758 -5.758 1.00 0.00 N ATOM 168 CA ILE A 350 59.421 -8.388 -6.016 1.00 0.00 C ATOM 169 C ILE A 350 59.284 -9.554 -5.146 1.00 0.00 C ATOM 170 O ILE A 350 60.250 -10.309 -4.883 1.00 0.00 O ATOM 171 CB ILE A 350 59.276 -8.757 -7.478 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.328 -7.454 -8.288 1.00 0.00 C ATOM 173 CG2 ILE A 350 57.992 -9.538 -7.675 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.977 -7.581 -9.730 1.00 0.00 C ATOM 0 H ILE A 350 61.329 -7.870 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 350 58.612 -7.691 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 350 60.082 -9.405 -7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.650 -6.734 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.333 -7.039 -8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 350 57.886 -9.804 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.022 -10.445 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.143 -8.926 -7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.045 -6.604 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.669 -8.271 -10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.960 -7.961 -9.825 1.00 0.00 H new ATOM 186 N ASP A 351 58.132 -9.678 -4.677 1.00 0.00 N ATOM 187 CA ASP A 351 57.819 -10.647 -3.770 1.00 0.00 C ATOM 188 C ASP A 351 57.242 -11.844 -4.413 1.00 0.00 C ATOM 189 O ASP A 351 56.477 -11.759 -5.324 1.00 0.00 O ATOM 190 CB ASP A 351 56.888 -10.102 -2.746 1.00 0.00 C ATOM 191 CG ASP A 351 55.838 -9.216 -3.249 1.00 0.00 C ATOM 192 OD1 ASP A 351 55.060 -9.652 -4.083 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.755 -8.054 -2.789 1.00 0.00 O ATOM 0 H ASP A 351 57.350 -9.075 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 351 58.744 -10.960 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.416 -10.938 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 351 57.472 -9.558 -2.004 1.00 0.00 H new ATOM 198 N LEU A 352 57.662 -12.967 -3.962 1.00 0.00 N ATOM 199 CA LEU A 352 57.108 -14.223 -4.384 1.00 0.00 C ATOM 200 C LEU A 352 55.812 -14.494 -3.632 1.00 0.00 C ATOM 201 O LEU A 352 55.090 -15.454 -3.905 1.00 0.00 O ATOM 202 CB LEU A 352 58.142 -15.309 -4.164 1.00 0.00 C ATOM 203 CG LEU A 352 59.181 -15.533 -5.282 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.559 -16.290 -6.441 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.764 -14.218 -5.799 1.00 0.00 C ATOM 0 H LEU A 352 58.413 -13.054 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 352 56.861 -14.200 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.680 -15.081 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.615 -16.249 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 352 59.991 -16.118 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.306 -16.439 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.200 -17.258 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.724 -15.717 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.490 -14.426 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.963 -13.598 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.255 -13.691 -4.981 1.00 0.00 H new ATOM 217 N ASP A 353 55.523 -13.618 -2.689 1.00 0.00 N ATOM 218 CA ASP A 353 54.366 -13.703 -1.867 1.00 0.00 C ATOM 219 C ASP A 353 53.171 -13.216 -2.614 1.00 0.00 C ATOM 220 O ASP A 353 52.146 -13.896 -2.686 1.00 0.00 O ATOM 221 CB ASP A 353 54.559 -12.859 -0.611 1.00 0.00 C ATOM 222 CG ASP A 353 55.631 -13.391 0.292 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.343 -14.317 1.080 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.776 -12.893 0.241 1.00 0.00 O ATOM 0 H ASP A 353 56.112 -12.812 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 353 54.212 -14.744 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.809 -11.838 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.618 -12.814 -0.062 1.00 0.00 H new ATOM 229 N THR A 354 53.299 -12.051 -3.185 1.00 0.00 N ATOM 230 CA THR A 354 52.207 -11.448 -3.883 1.00 0.00 C ATOM 231 C THR A 354 52.509 -11.222 -5.357 1.00 0.00 C ATOM 232 O THR A 354 51.612 -10.966 -6.146 1.00 0.00 O ATOM 233 CB THR A 354 51.780 -10.142 -3.155 1.00 0.00 C ATOM 234 OG1 THR A 354 52.909 -9.369 -2.861 1.00 0.00 O ATOM 235 CG2 THR A 354 51.154 -10.474 -1.850 1.00 0.00 C ATOM 0 H THR A 354 54.157 -11.499 -3.178 1.00 0.00 H new ATOM 0 HA THR A 354 51.366 -12.141 -3.868 1.00 0.00 H new ATOM 0 HB THR A 354 51.089 -9.606 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.616 -9.562 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 354 50.857 -9.555 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.275 -11.097 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 354 51.870 -11.014 -1.230 1.00 0.00 H new ATOM 243 N LYS A 355 53.781 -11.322 -5.706 1.00 0.00 N ATOM 244 CA LYS A 355 54.275 -11.117 -7.051 1.00 0.00 C ATOM 245 C LYS A 355 54.056 -9.744 -7.540 1.00 0.00 C ATOM 246 O LYS A 355 53.559 -9.487 -8.638 1.00 0.00 O ATOM 247 CB LYS A 355 53.921 -12.207 -8.024 1.00 0.00 C ATOM 248 CG LYS A 355 54.826 -13.419 -7.882 1.00 0.00 C ATOM 249 CD LYS A 355 56.276 -13.126 -8.308 1.00 0.00 C ATOM 250 CE LYS A 355 56.415 -12.850 -9.809 1.00 0.00 C ATOM 251 NZ LYS A 355 56.243 -14.076 -10.624 1.00 0.00 N ATOM 0 H LYS A 355 54.517 -11.555 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 355 55.358 -11.214 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.885 -12.509 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 355 53.991 -11.821 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.816 -13.756 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.431 -14.236 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.646 -12.266 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.906 -13.974 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.674 -12.109 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.396 -12.419 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.345 -13.840 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 56.965 -14.775 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.297 -14.475 -10.456 1.00 0.00 H new ATOM 265 N LYS A 356 54.428 -8.872 -6.703 1.00 0.00 N ATOM 266 CA LYS A 356 54.382 -7.480 -6.935 1.00 0.00 C ATOM 267 C LYS A 356 55.701 -6.921 -6.466 1.00 0.00 C ATOM 268 O LYS A 356 56.450 -7.618 -5.788 1.00 0.00 O ATOM 269 CB LYS A 356 53.230 -6.881 -6.140 1.00 0.00 C ATOM 270 CG LYS A 356 53.470 -6.876 -4.656 1.00 0.00 C ATOM 271 CD LYS A 356 52.466 -6.074 -3.900 1.00 0.00 C ATOM 272 CE LYS A 356 52.968 -5.797 -2.486 1.00 0.00 C ATOM 273 NZ LYS A 356 53.490 -7.018 -1.828 1.00 0.00 N ATOM 0 H LYS A 356 54.795 -9.114 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 356 54.223 -7.246 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.058 -5.859 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.321 -7.443 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.456 -7.902 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.466 -6.480 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.277 -5.133 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.518 -6.611 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 356 53.753 -5.042 -2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.156 -5.383 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.315 -6.963 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 53.010 -7.854 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 54.513 -7.095 -2.000 1.00 0.00 H new ATOM 287 N PRO A 357 56.049 -5.711 -6.830 1.00 0.00 N ATOM 288 CA PRO A 357 57.228 -5.127 -6.331 1.00 0.00 C ATOM 289 C PRO A 357 57.044 -4.625 -4.961 1.00 0.00 C ATOM 290 O PRO A 357 55.992 -4.761 -4.335 1.00 0.00 O ATOM 291 CB PRO A 357 57.542 -3.999 -7.231 1.00 0.00 C ATOM 292 CG PRO A 357 56.311 -3.701 -8.009 1.00 0.00 C ATOM 293 CD PRO A 357 55.328 -4.826 -7.732 1.00 0.00 C ATOM 0 HA PRO A 357 58.030 -5.865 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.856 -3.126 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.365 -4.256 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.891 -2.740 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.534 -3.637 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.412 -4.452 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.041 -5.340 -8.649 1.00 0.00 H new ATOM 301 N CYS A 358 58.021 -3.976 -4.496 1.00 0.00 N ATOM 302 CA CYS A 358 58.009 -3.685 -3.206 1.00 0.00 C ATOM 303 C CYS A 358 58.193 -2.256 -2.970 1.00 0.00 C ATOM 304 O CYS A 358 59.307 -1.749 -2.989 1.00 0.00 O ATOM 305 CB CYS A 358 59.021 -4.468 -2.567 1.00 0.00 C ATOM 306 SG CYS A 358 58.834 -4.492 -0.823 1.00 0.00 S ATOM 0 H CYS A 358 58.830 -3.650 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 358 57.035 -3.929 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.985 -5.488 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.003 -4.068 -2.820 1.00 0.00 H new ATOM 0 HG CYS A 358 58.877 -5.720 -0.399 1.00 0.00 H new ATOM 311 N THR A 359 57.129 -1.616 -2.782 1.00 0.00 N ATOM 312 CA THR A 359 57.119 -0.216 -2.497 1.00 0.00 C ATOM 313 C THR A 359 56.734 0.001 -1.018 1.00 0.00 C ATOM 314 O THR A 359 55.884 0.797 -0.664 1.00 0.00 O ATOM 315 CB THR A 359 56.240 0.548 -3.577 1.00 0.00 C ATOM 316 OG1 THR A 359 55.976 1.922 -3.309 1.00 0.00 O ATOM 317 CG2 THR A 359 54.964 -0.182 -3.860 1.00 0.00 C ATOM 0 H THR A 359 56.202 -2.040 -2.818 1.00 0.00 H new ATOM 0 HA THR A 359 58.109 0.230 -2.595 1.00 0.00 H new ATOM 0 HB THR A 359 56.873 0.553 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.751 2.461 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.387 0.368 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.191 -1.177 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.383 -0.269 -2.942 1.00 0.00 H new ATOM 325 N ARG A 360 57.431 -0.764 -0.162 1.00 0.00 N ATOM 326 CA ARG A 360 57.288 -0.650 1.280 1.00 0.00 C ATOM 327 C ARG A 360 58.021 0.552 1.758 1.00 0.00 C ATOM 328 O ARG A 360 57.436 1.530 2.209 1.00 0.00 O ATOM 329 CB ARG A 360 57.828 -1.891 1.981 1.00 0.00 C ATOM 330 CG ARG A 360 56.895 -3.060 1.871 1.00 0.00 C ATOM 331 CD ARG A 360 57.062 -4.004 3.013 1.00 0.00 C ATOM 332 NE ARG A 360 56.250 -5.234 2.839 1.00 0.00 N ATOM 333 CZ ARG A 360 55.649 -5.934 3.840 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.627 -5.457 5.075 1.00 0.00 N ATOM 335 NH2 ARG A 360 55.045 -7.087 3.571 1.00 0.00 N ATOM 0 H ARG A 360 58.103 -1.472 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 360 56.228 -0.556 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.793 -2.158 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.000 -1.665 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.866 -2.703 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.078 -3.586 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 360 58.114 -4.274 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.774 -3.507 3.939 1.00 0.00 H new ATOM 0 HE ARG A 360 56.132 -5.585 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.063 -4.558 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.174 -5.988 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 360 55.032 -7.446 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.594 -7.613 4.319 1.00 0.00 H new ATOM 349 N SER A 361 59.302 0.476 1.606 1.00 0.00 N ATOM 350 CA SER A 361 60.190 1.503 1.962 1.00 0.00 C ATOM 351 C SER A 361 61.500 1.161 1.399 1.00 0.00 C ATOM 352 O SER A 361 61.675 0.054 0.795 1.00 0.00 O ATOM 353 CB SER A 361 60.294 1.649 3.475 1.00 0.00 C ATOM 354 OG SER A 361 60.696 0.420 4.053 1.00 0.00 O ATOM 0 H SER A 361 59.766 -0.343 1.213 1.00 0.00 H new ATOM 0 HA SER A 361 59.830 2.455 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.012 2.430 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.332 1.957 3.886 1.00 0.00 H new ATOM 0 HG SER A 361 60.762 0.522 5.025 1.00 0.00 H new ATOM 360 N LEU A 362 62.415 2.037 1.628 1.00 0.00 N ATOM 361 CA LEU A 362 63.751 1.925 1.187 1.00 0.00 C ATOM 362 C LEU A 362 64.468 0.896 2.048 1.00 0.00 C ATOM 363 O LEU A 362 65.465 0.342 1.657 1.00 0.00 O ATOM 364 CB LEU A 362 64.450 3.301 1.321 1.00 0.00 C ATOM 365 CG LEU A 362 63.857 4.505 0.519 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.544 5.028 1.084 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.852 5.643 0.351 1.00 0.00 C ATOM 0 H LEU A 362 62.237 2.892 2.155 1.00 0.00 H new ATOM 0 HA LEU A 362 63.777 1.610 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.454 3.572 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.490 3.178 1.019 1.00 0.00 H new ATOM 0 HG LEU A 362 63.639 4.095 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.193 5.862 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.800 4.232 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.698 5.365 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.388 6.452 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.153 6.011 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.729 5.283 -0.187 1.00 0.00 H new ATOM 379 N THR A 363 63.880 0.599 3.188 1.00 0.00 N ATOM 380 CA THR A 363 64.505 -0.238 4.178 1.00 0.00 C ATOM 381 C THR A 363 63.574 -1.429 4.529 1.00 0.00 C ATOM 382 O THR A 363 63.682 -2.017 5.568 1.00 0.00 O ATOM 383 CB THR A 363 64.776 0.646 5.409 1.00 0.00 C ATOM 384 OG1 THR A 363 65.715 0.059 6.316 1.00 0.00 O ATOM 385 CG2 THR A 363 63.475 0.993 6.114 1.00 0.00 C ATOM 0 H THR A 363 62.953 0.934 3.450 1.00 0.00 H new ATOM 0 HA THR A 363 65.440 -0.661 3.810 1.00 0.00 H new ATOM 0 HB THR A 363 65.234 1.566 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.463 -0.872 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.687 1.618 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.822 1.533 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.982 0.077 6.439 1.00 0.00 H new ATOM 393 N CYS A 364 62.702 -1.763 3.574 1.00 0.00 N ATOM 394 CA CYS A 364 61.724 -2.875 3.634 1.00 0.00 C ATOM 395 C CYS A 364 62.078 -4.013 4.631 1.00 0.00 C ATOM 396 O CYS A 364 63.082 -4.704 4.450 1.00 0.00 O ATOM 397 CB CYS A 364 61.746 -3.485 2.316 1.00 0.00 C ATOM 398 SG CYS A 364 60.843 -4.991 2.210 1.00 0.00 S ATOM 0 H CYS A 364 62.649 -1.248 2.695 1.00 0.00 H new ATOM 0 HA CYS A 364 60.773 -2.451 3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.340 -2.778 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.781 -3.673 2.031 1.00 0.00 H new ATOM 0 HG CYS A 364 60.071 -4.961 1.165 1.00 0.00 H new ATOM 403 N LYS A 365 61.179 -4.279 5.542 1.00 0.00 N ATOM 404 CA LYS A 365 61.377 -5.163 6.671 1.00 0.00 C ATOM 405 C LYS A 365 61.295 -6.626 6.281 1.00 0.00 C ATOM 406 O LYS A 365 61.798 -7.493 6.971 1.00 0.00 O ATOM 407 CB LYS A 365 60.256 -4.852 7.640 1.00 0.00 C ATOM 408 CG LYS A 365 60.415 -5.379 9.039 1.00 0.00 C ATOM 409 CD LYS A 365 59.126 -5.195 9.841 1.00 0.00 C ATOM 410 CE LYS A 365 58.541 -3.786 9.685 1.00 0.00 C ATOM 411 NZ LYS A 365 57.401 -3.569 10.598 1.00 0.00 N ATOM 0 H LYS A 365 60.245 -3.869 5.520 1.00 0.00 H new ATOM 0 HA LYS A 365 62.369 -5.005 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.142 -3.769 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.329 -5.250 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.680 -6.436 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.235 -4.860 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.390 -5.930 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.325 -5.389 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 365 59.315 -3.045 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 365 58.217 -3.637 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 57.029 -2.607 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 56.653 -4.261 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.717 -3.687 11.582 1.00 0.00 H new ATOM 425 N THR A 366 60.700 -6.874 5.173 1.00 0.00 N ATOM 426 CA THR A 366 60.387 -8.198 4.757 1.00 0.00 C ATOM 427 C THR A 366 61.592 -8.865 4.143 1.00 0.00 C ATOM 428 O THR A 366 61.886 -10.032 4.355 1.00 0.00 O ATOM 429 CB THR A 366 59.402 -8.065 3.640 1.00 0.00 C ATOM 430 OG1 THR A 366 58.348 -7.189 4.008 1.00 0.00 O ATOM 431 CG2 THR A 366 58.875 -9.390 3.135 1.00 0.00 C ATOM 0 H THR A 366 60.410 -6.151 4.514 1.00 0.00 H new ATOM 0 HA THR A 366 60.029 -8.771 5.612 1.00 0.00 H new ATOM 0 HB THR A 366 59.943 -7.630 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.627 -7.703 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 366 58.166 -9.215 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.704 -9.995 2.767 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.375 -9.916 3.948 1.00 0.00 H new ATOM 439 N HIS A 367 62.284 -8.071 3.410 1.00 0.00 N ATOM 440 CA HIS A 367 63.282 -8.522 2.518 1.00 0.00 C ATOM 441 C HIS A 367 64.622 -8.269 3.098 1.00 0.00 C ATOM 442 O HIS A 367 64.840 -7.227 3.666 1.00 0.00 O ATOM 443 CB HIS A 367 63.070 -7.805 1.148 1.00 0.00 C ATOM 444 CG HIS A 367 61.859 -8.304 0.330 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.043 -7.437 -0.409 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.417 -9.578 0.146 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.148 -8.238 -1.012 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.343 -9.524 -0.697 1.00 0.00 N ATOM 0 H HIS A 367 62.166 -7.058 3.416 1.00 0.00 H new ATOM 0 HA HIS A 367 63.212 -9.597 2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.952 -6.737 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.971 -7.929 0.547 1.00 0.00 H new ATOM 0 HD1 HIS A 367 61.113 -6.422 -0.475 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.839 -10.470 0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.367 -7.887 -1.670 1.00 0.00 H new ATOM 456 N SER A 368 65.490 -9.234 2.980 1.00 0.00 N ATOM 457 CA SER A 368 66.810 -9.125 3.504 1.00 0.00 C ATOM 458 C SER A 368 67.696 -8.203 2.733 1.00 0.00 C ATOM 459 O SER A 368 67.450 -7.920 1.552 1.00 0.00 O ATOM 460 CB SER A 368 67.425 -10.486 3.761 1.00 0.00 C ATOM 461 OG SER A 368 67.198 -11.380 2.701 1.00 0.00 O ATOM 0 H SER A 368 65.295 -10.120 2.514 1.00 0.00 H new ATOM 0 HA SER A 368 66.712 -8.640 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.498 -10.374 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 368 67.011 -10.902 4.680 1.00 0.00 H new ATOM 0 HG SER A 368 67.612 -12.244 2.907 1.00 0.00 H new ATOM 467 N LEU A 369 68.701 -7.714 3.425 1.00 0.00 N ATOM 468 CA LEU A 369 69.674 -6.769 2.934 1.00 0.00 C ATOM 469 C LEU A 369 70.199 -7.134 1.562 1.00 0.00 C ATOM 470 O LEU A 369 70.213 -6.282 0.652 1.00 0.00 O ATOM 471 CB LEU A 369 70.794 -6.633 3.989 1.00 0.00 C ATOM 472 CG LEU A 369 72.005 -5.707 3.692 1.00 0.00 C ATOM 473 CD1 LEU A 369 73.052 -6.409 2.838 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.537 -4.462 2.975 1.00 0.00 C ATOM 0 H LEU A 369 68.868 -7.980 4.395 1.00 0.00 H new ATOM 0 HA LEU A 369 69.197 -5.799 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.334 -6.285 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 369 71.185 -7.632 4.184 1.00 0.00 H new ATOM 0 HG LEU A 369 72.460 -5.443 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.884 -5.730 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.416 -7.293 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.607 -6.707 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.392 -3.817 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 369 71.059 -4.741 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.822 -3.928 3.601 1.00 0.00 H new ATOM 486 N THR A 370 70.545 -8.375 1.382 1.00 0.00 N ATOM 487 CA THR A 370 71.122 -8.802 0.133 1.00 0.00 C ATOM 488 C THR A 370 70.094 -8.698 -0.986 1.00 0.00 C ATOM 489 O THR A 370 70.419 -8.353 -2.107 1.00 0.00 O ATOM 490 CB THR A 370 71.670 -10.226 0.218 1.00 0.00 C ATOM 491 OG1 THR A 370 72.554 -10.311 1.352 1.00 0.00 O ATOM 492 CG2 THR A 370 72.440 -10.552 -1.048 1.00 0.00 C ATOM 0 H THR A 370 70.440 -9.111 2.080 1.00 0.00 H new ATOM 0 HA THR A 370 71.959 -8.140 -0.087 1.00 0.00 H new ATOM 0 HB THR A 370 70.849 -10.934 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.912 -11.221 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.830 -11.568 -0.985 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.776 -10.471 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.268 -9.852 -1.161 1.00 0.00 H new ATOM 500 N GLN A 371 68.842 -8.870 -0.626 1.00 0.00 N ATOM 501 CA GLN A 371 67.770 -8.893 -1.597 1.00 0.00 C ATOM 502 C GLN A 371 67.524 -7.493 -2.081 1.00 0.00 C ATOM 503 O GLN A 371 67.242 -7.274 -3.261 1.00 0.00 O ATOM 504 CB GLN A 371 66.492 -9.455 -1.003 1.00 0.00 C ATOM 505 CG GLN A 371 66.710 -10.682 -0.152 1.00 0.00 C ATOM 506 CD GLN A 371 65.438 -11.434 0.154 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.372 -10.714 0.310 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.426 -12.657 0.297 1.00 0.00 N flip ATOM 0 H GLN A 371 68.539 -8.997 0.340 1.00 0.00 H new ATOM 0 HA GLN A 371 68.066 -9.538 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.013 -8.685 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.803 -9.701 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.404 -11.350 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.182 -10.386 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.283 -13.194 0.167 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.559 -13.133 0.546 1.00 0.00 H new ATOM 517 N ARG A 372 67.634 -6.527 -1.153 1.00 0.00 N ATOM 518 CA ARG A 372 67.502 -5.141 -1.533 1.00 0.00 C ATOM 519 C ARG A 372 68.664 -4.727 -2.418 1.00 0.00 C ATOM 520 O ARG A 372 68.463 -4.053 -3.411 1.00 0.00 O ATOM 521 CB ARG A 372 67.438 -4.163 -0.363 1.00 0.00 C ATOM 522 CG ARG A 372 66.226 -4.199 0.557 1.00 0.00 C ATOM 523 CD ARG A 372 66.400 -5.181 1.668 1.00 0.00 C ATOM 524 NE ARG A 372 65.754 -4.764 2.893 1.00 0.00 N ATOM 525 CZ ARG A 372 66.369 -4.334 4.031 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.682 -4.126 4.065 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.638 -4.107 5.112 1.00 0.00 N ATOM 0 H ARG A 372 67.810 -6.690 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 372 66.548 -5.086 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.324 -4.325 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.513 -3.155 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.056 -3.206 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.339 -4.458 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.996 -6.146 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.464 -5.326 1.855 1.00 0.00 H new ATOM 0 HE ARG A 372 64.735 -4.795 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.246 -4.288 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.125 -3.804 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.629 -4.254 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.084 -3.785 5.971 1.00 0.00 H new ATOM 541 N ARG A 373 69.887 -5.140 -2.039 1.00 0.00 N ATOM 542 CA ARG A 373 71.079 -4.805 -2.806 1.00 0.00 C ATOM 543 C ARG A 373 71.031 -5.391 -4.196 1.00 0.00 C ATOM 544 O ARG A 373 71.395 -4.723 -5.176 1.00 0.00 O ATOM 545 CB ARG A 373 72.330 -5.309 -2.114 1.00 0.00 C ATOM 546 CG ARG A 373 72.850 -4.429 -1.020 1.00 0.00 C ATOM 547 CD ARG A 373 74.135 -4.998 -0.486 1.00 0.00 C ATOM 548 NE ARG A 373 74.859 -4.048 0.340 1.00 0.00 N ATOM 549 CZ ARG A 373 75.956 -4.320 1.033 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.467 -5.556 1.042 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.537 -3.355 1.717 1.00 0.00 N ATOM 0 H ARG A 373 70.065 -5.704 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 373 71.108 -3.718 -2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.124 -6.295 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.114 -5.435 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 373 73.016 -3.420 -1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 373 72.114 -4.352 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.918 -5.892 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.767 -5.307 -1.319 1.00 0.00 H new ATOM 0 HE ARG A 373 74.495 -3.097 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 373 76.012 -6.300 0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.311 -5.755 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.142 -2.415 1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.382 -3.549 2.255 1.00 0.00 H new ATOM 565 N ALA A 374 70.595 -6.634 -4.260 1.00 0.00 N ATOM 566 CA ALA A 374 70.515 -7.392 -5.489 1.00 0.00 C ATOM 567 C ALA A 374 69.662 -6.707 -6.537 1.00 0.00 C ATOM 568 O ALA A 374 70.130 -6.464 -7.659 1.00 0.00 O ATOM 569 CB ALA A 374 69.977 -8.786 -5.217 1.00 0.00 C ATOM 0 H ALA A 374 70.280 -7.154 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 374 71.528 -7.461 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.923 -9.344 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.640 -9.303 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.981 -8.713 -4.780 1.00 0.00 H new ATOM 575 N VAL A 375 68.446 -6.362 -6.167 1.00 0.00 N ATOM 576 CA VAL A 375 67.504 -5.804 -7.113 1.00 0.00 C ATOM 577 C VAL A 375 67.916 -4.425 -7.600 1.00 0.00 C ATOM 578 O VAL A 375 68.055 -3.468 -6.822 1.00 0.00 O ATOM 579 CB VAL A 375 66.038 -5.770 -6.578 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.906 -4.898 -5.341 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.094 -5.287 -7.664 1.00 0.00 C ATOM 0 H VAL A 375 68.087 -6.459 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 375 67.525 -6.487 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 375 65.769 -6.787 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.870 -4.902 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.548 -5.287 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.205 -3.878 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.075 -5.268 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.382 -4.284 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.146 -5.962 -8.518 1.00 0.00 H new ATOM 591 N GLN A 376 68.108 -4.332 -8.884 1.00 0.00 N ATOM 592 CA GLN A 376 68.391 -3.081 -9.515 1.00 0.00 C ATOM 593 C GLN A 376 67.091 -2.293 -9.712 1.00 0.00 C ATOM 594 O GLN A 376 66.528 -2.209 -10.811 1.00 0.00 O ATOM 595 CB GLN A 376 69.172 -3.284 -10.820 1.00 0.00 C ATOM 596 CG GLN A 376 68.553 -4.304 -11.768 1.00 0.00 C ATOM 597 CD GLN A 376 69.347 -4.464 -13.039 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.123 -3.760 -14.022 1.00 0.00 O ATOM 599 NE2 GLN A 376 70.276 -5.378 -13.034 1.00 0.00 N ATOM 0 H GLN A 376 68.072 -5.126 -9.523 1.00 0.00 H new ATOM 0 HA GLN A 376 69.037 -2.487 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.251 -2.327 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.187 -3.600 -10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.482 -5.268 -11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 376 67.537 -3.997 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 376 70.432 -5.942 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.847 -5.529 -13.865 1.00 0.00 H new ATOM 608 N GLY A 377 66.573 -1.825 -8.613 1.00 0.00 N ATOM 609 CA GLY A 377 65.362 -1.059 -8.610 1.00 0.00 C ATOM 610 C GLY A 377 65.662 0.385 -8.579 1.00 0.00 C ATOM 611 O GLY A 377 65.241 1.152 -9.454 1.00 0.00 O ATOM 0 H GLY A 377 66.982 -1.965 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.774 -1.295 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.757 -1.329 -7.745 1.00 0.00 H new ATOM 615 N ARG A 378 66.438 0.749 -7.613 1.00 0.00 N ATOM 616 CA ARG A 378 66.797 2.101 -7.386 1.00 0.00 C ATOM 617 C ARG A 378 67.762 2.515 -8.446 1.00 0.00 C ATOM 618 O ARG A 378 68.455 1.678 -9.048 1.00 0.00 O ATOM 619 CB ARG A 378 67.469 2.216 -6.054 1.00 0.00 C ATOM 620 CG ARG A 378 66.721 1.556 -4.926 1.00 0.00 C ATOM 621 CD ARG A 378 67.707 1.030 -3.959 1.00 0.00 C ATOM 622 NE ARG A 378 67.059 0.064 -3.152 1.00 0.00 N ATOM 623 CZ ARG A 378 66.855 -1.181 -3.568 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.288 -1.555 -4.778 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.236 -2.037 -2.792 1.00 0.00 N ATOM 0 H ARG A 378 66.848 0.095 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 378 65.909 2.733 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.464 1.775 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.603 3.271 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.058 2.272 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.095 0.749 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.553 0.584 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.104 1.837 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 378 66.739 0.333 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.772 -0.885 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.134 -2.510 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.911 -1.747 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.079 -2.993 -3.111 1.00 0.00 H new ATOM 639 N ARG A 379 67.858 3.777 -8.640 1.00 0.00 N ATOM 640 CA ARG A 379 68.713 4.302 -9.667 1.00 0.00 C ATOM 641 C ARG A 379 70.132 4.441 -9.157 1.00 0.00 C ATOM 642 O ARG A 379 71.054 4.773 -9.896 1.00 0.00 O ATOM 643 CB ARG A 379 68.171 5.618 -10.159 1.00 0.00 C ATOM 644 CG ARG A 379 68.130 6.726 -9.151 1.00 0.00 C ATOM 645 CD ARG A 379 67.300 7.843 -9.691 1.00 0.00 C ATOM 646 NE ARG A 379 67.836 8.387 -10.941 1.00 0.00 N ATOM 647 CZ ARG A 379 67.177 8.387 -12.116 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.054 7.667 -12.267 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.672 9.052 -13.147 1.00 0.00 N ATOM 0 H ARG A 379 67.354 4.482 -8.101 1.00 0.00 H new ATOM 0 HA ARG A 379 68.734 3.607 -10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.776 5.945 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.160 5.456 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.711 6.365 -8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 379 69.139 7.077 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.284 7.487 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 379 67.240 8.639 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 379 68.771 8.793 -10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.694 7.115 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.561 7.672 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.550 9.562 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.176 9.054 -14.038 1.00 0.00 H new ATOM 663 N LYS A 380 70.295 4.181 -7.880 1.00 0.00 N ATOM 664 CA LYS A 380 71.525 4.298 -7.221 1.00 0.00 C ATOM 665 C LYS A 380 71.761 2.954 -6.566 1.00 0.00 C ATOM 666 O LYS A 380 70.926 2.040 -6.729 1.00 0.00 O ATOM 667 CB LYS A 380 71.345 5.367 -6.158 1.00 0.00 C ATOM 668 CG LYS A 380 70.543 6.543 -6.652 1.00 0.00 C ATOM 669 CD LYS A 380 70.107 7.440 -5.553 1.00 0.00 C ATOM 670 CE LYS A 380 69.104 8.444 -6.084 1.00 0.00 C ATOM 671 NZ LYS A 380 68.725 9.436 -5.069 1.00 0.00 N ATOM 0 H LYS A 380 69.535 3.874 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 380 72.356 4.562 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.849 4.932 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.324 5.713 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.141 7.112 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 380 69.667 6.180 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.661 6.856 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.967 7.959 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 380 69.526 8.955 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.213 7.919 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 67.898 9.973 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.489 8.950 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 69.519 10.088 -4.907 1.00 0.00 H new ATOM 685 N ARG A 381 72.845 2.806 -5.852 1.00 0.00 N ATOM 686 CA ARG A 381 73.081 1.582 -5.090 1.00 0.00 C ATOM 687 C ARG A 381 72.069 1.523 -3.994 1.00 0.00 C ATOM 688 O ARG A 381 71.470 2.536 -3.635 1.00 0.00 O ATOM 689 CB ARG A 381 74.476 1.563 -4.460 1.00 0.00 C ATOM 690 CG ARG A 381 75.584 1.915 -5.405 1.00 0.00 C ATOM 691 CD ARG A 381 75.518 1.098 -6.658 1.00 0.00 C ATOM 692 NE ARG A 381 76.488 1.560 -7.638 1.00 0.00 N ATOM 693 CZ ARG A 381 76.289 1.605 -8.957 1.00 0.00 C ATOM 694 NH1 ARG A 381 75.147 1.163 -9.487 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.234 2.106 -9.743 1.00 0.00 N ATOM 0 H ARG A 381 73.582 3.506 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 381 73.003 0.731 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.493 2.260 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.664 0.570 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.526 2.974 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.545 1.756 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 381 75.706 0.050 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 381 74.515 1.155 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 381 77.393 1.875 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 381 74.416 0.786 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 381 75.005 1.202 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.104 2.453 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 381 77.091 2.144 -10.752 1.00 0.00 H new ATOM 709 N PHE A 382 71.885 0.394 -3.445 1.00 0.00 N ATOM 710 CA PHE A 382 70.924 0.263 -2.402 1.00 0.00 C ATOM 711 C PHE A 382 71.376 0.962 -1.130 1.00 0.00 C ATOM 712 O PHE A 382 70.612 1.653 -0.505 1.00 0.00 O ATOM 713 CB PHE A 382 70.562 -1.191 -2.142 1.00 0.00 C ATOM 714 CG PHE A 382 69.849 -1.361 -0.844 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.606 -0.826 -0.673 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.440 -2.004 0.210 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.956 -0.908 0.506 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.784 -2.104 1.403 1.00 0.00 C ATOM 719 CZ PHE A 382 68.539 -1.549 1.550 1.00 0.00 C ATOM 0 H PHE A 382 72.381 -0.463 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 382 70.017 0.763 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.934 -1.560 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.468 -1.796 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.130 -0.324 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.425 -2.432 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.977 -0.466 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.246 -2.621 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 382 68.023 -1.622 2.496 1.00 0.00 H new ATOM 729 N ASP A 383 72.605 0.802 -0.800 1.00 0.00 N ATOM 730 CA ASP A 383 73.176 1.366 0.423 1.00 0.00 C ATOM 731 C ASP A 383 73.179 2.864 0.379 1.00 0.00 C ATOM 732 O ASP A 383 72.939 3.521 1.385 1.00 0.00 O ATOM 733 CB ASP A 383 74.597 0.907 0.615 1.00 0.00 C ATOM 734 CG ASP A 383 74.740 -0.562 0.980 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.436 -1.428 0.153 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.204 -0.868 2.109 1.00 0.00 O ATOM 0 H ASP A 383 73.272 0.273 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 383 72.554 1.020 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.154 1.096 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.058 1.510 1.398 1.00 0.00 H new ATOM 741 N VAL A 384 73.429 3.404 -0.799 1.00 0.00 N ATOM 742 CA VAL A 384 73.505 4.837 -0.987 1.00 0.00 C ATOM 743 C VAL A 384 72.110 5.424 -0.898 1.00 0.00 C ATOM 744 O VAL A 384 71.900 6.533 -0.425 1.00 0.00 O ATOM 745 CB VAL A 384 74.164 5.172 -2.350 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.236 4.997 -3.522 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.844 6.518 -2.362 1.00 0.00 C ATOM 0 H VAL A 384 73.584 2.862 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 384 74.125 5.275 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 384 74.950 4.427 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.762 5.248 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.899 3.961 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.374 5.654 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.286 6.694 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.112 7.297 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.626 6.537 -1.603 1.00 0.00 H new ATOM 757 N LEU A 385 71.179 4.637 -1.350 1.00 0.00 N ATOM 758 CA LEU A 385 69.810 4.928 -1.334 1.00 0.00 C ATOM 759 C LEU A 385 69.298 4.824 0.098 1.00 0.00 C ATOM 760 O LEU A 385 68.545 5.677 0.574 1.00 0.00 O ATOM 761 CB LEU A 385 69.139 3.909 -2.268 1.00 0.00 C ATOM 762 CG LEU A 385 67.684 4.046 -2.550 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.923 3.380 -1.433 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.350 5.516 -2.682 1.00 0.00 C ATOM 0 H LEU A 385 71.386 3.726 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 385 69.589 5.938 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.665 3.940 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.302 2.917 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 385 67.405 3.561 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.853 3.468 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.197 2.326 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.168 3.863 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.286 5.630 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.596 6.030 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.927 5.948 -3.500 1.00 0.00 H new ATOM 776 N LEU A 386 69.708 3.780 0.779 1.00 0.00 N ATOM 777 CA LEU A 386 69.310 3.577 2.149 1.00 0.00 C ATOM 778 C LEU A 386 69.888 4.693 2.997 1.00 0.00 C ATOM 779 O LEU A 386 69.305 5.076 3.983 1.00 0.00 O ATOM 780 CB LEU A 386 69.833 2.266 2.678 1.00 0.00 C ATOM 781 CG LEU A 386 68.864 1.345 3.464 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.643 0.265 4.196 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.966 2.104 4.432 1.00 0.00 C ATOM 0 H LEU A 386 70.320 3.056 0.403 1.00 0.00 H new ATOM 0 HA LEU A 386 68.221 3.569 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.218 1.697 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.681 2.485 3.327 1.00 0.00 H new ATOM 0 HG LEU A 386 68.204 0.885 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.951 -0.375 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.198 -0.335 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.339 0.729 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.313 1.401 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.581 2.632 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.361 2.823 3.879 1.00 0.00 H new ATOM 795 N ALA A 387 71.041 5.213 2.584 1.00 0.00 N ATOM 796 CA ALA A 387 71.686 6.320 3.270 1.00 0.00 C ATOM 797 C ALA A 387 70.767 7.529 3.280 1.00 0.00 C ATOM 798 O ALA A 387 70.675 8.243 4.279 1.00 0.00 O ATOM 799 CB ALA A 387 73.009 6.657 2.605 1.00 0.00 C ATOM 0 H ALA A 387 71.550 4.877 1.766 1.00 0.00 H new ATOM 0 HA ALA A 387 71.889 6.028 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.479 7.488 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.666 5.788 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.833 6.938 1.567 1.00 0.00 H new ATOM 805 N GLU A 388 70.049 7.718 2.186 1.00 0.00 N ATOM 806 CA GLU A 388 69.085 8.786 2.065 1.00 0.00 C ATOM 807 C GLU A 388 67.938 8.485 3.001 1.00 0.00 C ATOM 808 O GLU A 388 67.460 9.365 3.724 1.00 0.00 O ATOM 809 CB GLU A 388 68.551 8.838 0.642 1.00 0.00 C ATOM 810 CG GLU A 388 69.605 8.896 -0.431 1.00 0.00 C ATOM 811 CD GLU A 388 69.034 9.189 -1.790 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.531 10.313 -2.004 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.106 8.335 -2.686 1.00 0.00 O ATOM 0 H GLU A 388 70.122 7.130 1.356 1.00 0.00 H new ATOM 0 HA GLU A 388 69.552 9.740 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 388 67.928 7.960 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.905 9.711 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.336 9.663 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.138 7.946 -0.463 1.00 0.00 H new ATOM 820 N HIS A 389 67.518 7.213 3.009 1.00 0.00 N ATOM 821 CA HIS A 389 66.476 6.769 3.889 1.00 0.00 C ATOM 822 C HIS A 389 66.829 7.026 5.289 1.00 0.00 C ATOM 823 O HIS A 389 66.041 7.506 5.988 1.00 0.00 O ATOM 824 CB HIS A 389 66.118 5.312 3.717 1.00 0.00 C ATOM 825 CG HIS A 389 65.039 4.893 4.628 1.00 0.00 C ATOM 826 ND1 HIS A 389 65.087 4.049 5.629 1.00 0.00 N flip ATOM 827 CD2 HIS A 389 63.823 5.492 4.685 1.00 0.00 C flip ATOM 828 CE1 HIS A 389 63.919 4.141 6.292 1.00 0.00 C flip ATOM 829 NE2 HIS A 389 63.179 5.030 5.712 1.00 0.00 N flip ATOM 0 H HIS A 389 67.898 6.484 2.405 1.00 0.00 H new ATOM 0 HA HIS A 389 65.595 7.349 3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.811 5.134 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.001 4.699 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 389 63.452 6.231 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 389 63.645 3.567 7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 389 62.248 5.319 6.011 1.00 0.00 H new ATOM 838 N LYS A 390 67.986 6.670 5.689 1.00 0.00 N ATOM 839 CA LYS A 390 68.394 6.881 7.035 1.00 0.00 C ATOM 840 C LYS A 390 68.572 8.315 7.368 1.00 0.00 C ATOM 841 O LYS A 390 68.363 8.715 8.464 1.00 0.00 O ATOM 842 CB LYS A 390 69.578 6.057 7.339 1.00 0.00 C ATOM 843 CG LYS A 390 69.324 4.617 6.957 1.00 0.00 C ATOM 844 CD LYS A 390 68.112 4.029 7.682 1.00 0.00 C ATOM 845 CE LYS A 390 68.493 3.676 9.087 1.00 0.00 C ATOM 846 NZ LYS A 390 69.703 2.817 9.155 1.00 0.00 N ATOM 0 H LYS A 390 68.685 6.222 5.097 1.00 0.00 H new ATOM 0 HA LYS A 390 67.587 6.552 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.444 6.437 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.813 6.123 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.168 4.551 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.207 4.021 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.293 4.748 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.756 3.143 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.670 4.591 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.660 3.162 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.732 2.330 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.672 2.112 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.553 3.406 9.048 1.00 0.00 H new ATOM 860 N ASN A 391 68.892 9.090 6.445 1.00 0.00 N ATOM 861 CA ASN A 391 69.007 10.481 6.749 1.00 0.00 C ATOM 862 C ASN A 391 67.622 11.112 6.967 1.00 0.00 C ATOM 863 O ASN A 391 67.487 12.143 7.629 1.00 0.00 O ATOM 864 CB ASN A 391 69.847 11.205 5.714 1.00 0.00 C ATOM 865 CG ASN A 391 71.316 11.219 6.049 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.818 12.138 6.718 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.020 10.215 5.609 1.00 0.00 N ATOM 0 H ASN A 391 69.083 8.823 5.479 1.00 0.00 H new ATOM 0 HA ASN A 391 69.542 10.589 7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.706 10.729 4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.492 12.231 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.019 10.165 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.573 9.479 5.063 1.00 0.00 H new ATOM 874 N LYS A 392 66.612 10.489 6.400 1.00 0.00 N ATOM 875 CA LYS A 392 65.248 10.857 6.632 1.00 0.00 C ATOM 876 C LYS A 392 64.668 10.053 7.813 1.00 0.00 C ATOM 877 O LYS A 392 64.279 10.596 8.834 1.00 0.00 O ATOM 878 CB LYS A 392 64.425 10.582 5.386 1.00 0.00 C ATOM 879 CG LYS A 392 62.948 10.893 5.547 1.00 0.00 C ATOM 880 CD LYS A 392 62.565 12.369 5.316 1.00 0.00 C ATOM 881 CE LYS A 392 63.156 13.344 6.333 1.00 0.00 C ATOM 882 NZ LYS A 392 62.636 14.713 6.141 1.00 0.00 N ATOM 0 H LYS A 392 66.725 9.704 5.758 1.00 0.00 H new ATOM 0 HA LYS A 392 65.210 11.920 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.823 11.173 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.538 9.533 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.383 10.273 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.639 10.606 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 392 62.890 12.664 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 392 61.479 12.457 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 392 62.922 13.004 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 392 64.242 13.351 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 63.059 15.347 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 62.881 15.047 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 61.602 14.710 6.252 1.00 0.00 H new ATOM 896 N THR A 393 64.632 8.765 7.638 1.00 0.00 N ATOM 897 CA THR A 393 64.084 7.830 8.556 1.00 0.00 C ATOM 898 C THR A 393 65.131 6.761 8.945 1.00 0.00 C ATOM 899 O THR A 393 65.168 5.631 8.462 1.00 0.00 O ATOM 900 CB THR A 393 62.907 7.149 7.951 1.00 0.00 C ATOM 901 OG1 THR A 393 61.979 8.147 7.478 1.00 0.00 O ATOM 902 CG2 THR A 393 62.234 6.237 8.960 1.00 0.00 C ATOM 0 H THR A 393 65.008 8.321 6.800 1.00 0.00 H new ATOM 0 HA THR A 393 63.781 8.377 9.449 1.00 0.00 H new ATOM 0 HB THR A 393 63.240 6.533 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.201 7.706 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.377 5.750 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.943 5.480 9.296 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.898 6.825 9.815 1.00 0.00 H new ATOM 910 N ARG A 394 66.032 7.233 9.642 1.00 0.00 N ATOM 911 CA ARG A 394 67.096 6.518 10.334 1.00 0.00 C ATOM 912 C ARG A 394 66.616 5.455 11.358 1.00 0.00 C ATOM 913 O ARG A 394 67.431 4.813 12.012 1.00 0.00 O ATOM 914 CB ARG A 394 68.087 7.516 10.961 1.00 0.00 C ATOM 915 CG ARG A 394 67.517 8.468 11.970 1.00 0.00 C ATOM 916 CD ARG A 394 68.617 9.194 12.715 1.00 0.00 C ATOM 917 NE ARG A 394 69.397 8.278 13.557 1.00 0.00 N ATOM 918 CZ ARG A 394 70.734 8.273 13.675 1.00 0.00 C ATOM 919 NH1 ARG A 394 71.479 9.089 12.938 1.00 0.00 N ATOM 920 NH2 ARG A 394 71.321 7.441 14.533 1.00 0.00 N ATOM 0 H ARG A 394 66.100 8.239 9.794 1.00 0.00 H new ATOM 0 HA ARG A 394 67.607 5.932 9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.888 6.950 11.437 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.541 8.098 10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.874 9.191 11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.893 7.922 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.278 9.684 12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.181 9.977 13.335 1.00 0.00 H new ATOM 0 HE ARG A 394 68.878 7.586 14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.036 9.726 12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 394 72.494 9.079 13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 394 70.755 6.809 15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 394 72.337 7.436 14.624 1.00 0.00 H new