USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=19 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 347 CYS SG : rot 171:sc= -1 USER MOD Set 1.2: A 358 CYS SG : rot 130:sc= -0.8 USER MOD Set 1.3: A 364 CYS SG : rot 132:sc= 1.14 USER MOD Set 1.4: A 366 THR OG1 : rot 140:sc= 0 USER MOD Set 1.5: A 367 HIS : no HE2:sc= -0.334 K(o=-1,f=-2.5) USER MOD Set 1.6: A 371 GLN :FLIP amide:sc= 0 F(o=-2.8,f=-1) USER MOD Set 2.1: A 346 HIS : no HD1:sc= 0.346 K(o=1.2,f=-4.5!) USER MOD Set 2.2: A 359 THR OG1 : rot 85:sc= 0.861 USER MOD Single : A 354 THR OG1 : rot -72:sc= -0.613 USER MOD Single : A 355 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000509) USER MOD Single : A 356 LYS NZ :NH3+ 147:sc= 0.203 (180deg=-0.954) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -34:sc= 0.918 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 180:sc= -1.22 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 GLN :FLIP amide:sc=-0.00204 F(o=-1.1,f=-0.002) USER MOD Single : A 380 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.05) USER MOD Single : A 389 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-6.2!) USER MOD Single : A 390 LYS NZ :NH3+ -162:sc= -0.205 (180deg=-0.786) USER MOD Single : A 391 ASN : amide:sc= 1.21 K(o=1.2,f=-0.098) 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 54.217 1.400 -6.536 1.00 0.00 N ATOM 41 CA PHE A 341 55.650 1.086 -6.662 1.00 0.00 C ATOM 42 C PHE A 341 56.418 2.153 -7.377 1.00 0.00 C ATOM 43 O PHE A 341 56.206 2.444 -8.567 1.00 0.00 O ATOM 44 CB PHE A 341 55.928 -0.232 -7.379 1.00 0.00 C ATOM 45 CG PHE A 341 57.396 -0.480 -7.541 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.196 -0.600 -6.432 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.972 -0.583 -8.793 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.524 -0.818 -6.552 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.316 -0.814 -8.925 1.00 0.00 C ATOM 50 CZ PHE A 341 60.096 -0.930 -7.800 1.00 0.00 C ATOM 0 HA PHE A 341 55.984 1.011 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.481 -1.052 -6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.451 -0.220 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.757 -0.519 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.357 -0.481 -9.675 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.138 -0.905 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.759 -0.904 -9.906 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.157 -1.109 -7.894 1.00 0.00 H new ATOM 60 N ASP A 342 57.315 2.691 -6.634 1.00 0.00 N ATOM 61 CA ASP A 342 58.191 3.723 -7.079 1.00 0.00 C ATOM 62 C ASP A 342 59.596 3.185 -6.951 1.00 0.00 C ATOM 63 O ASP A 342 60.142 3.171 -5.859 1.00 0.00 O ATOM 64 CB ASP A 342 58.069 5.033 -6.245 1.00 0.00 C ATOM 65 CG ASP A 342 56.736 5.760 -6.349 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.285 6.062 -7.484 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.134 6.081 -5.305 1.00 0.00 O ATOM 0 H ASP A 342 57.468 2.418 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 342 57.930 3.986 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.250 4.793 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 342 58.859 5.716 -6.557 1.00 0.00 H new ATOM 72 N PRO A 343 60.193 2.672 -8.033 1.00 0.00 N ATOM 73 CA PRO A 343 61.499 2.009 -7.963 1.00 0.00 C ATOM 74 C PRO A 343 62.626 2.845 -7.393 1.00 0.00 C ATOM 75 O PRO A 343 63.407 2.349 -6.595 1.00 0.00 O ATOM 76 CB PRO A 343 61.799 1.592 -9.385 1.00 0.00 C ATOM 77 CG PRO A 343 60.886 2.388 -10.240 1.00 0.00 C ATOM 78 CD PRO A 343 59.658 2.663 -9.408 1.00 0.00 C ATOM 0 HA PRO A 343 61.440 1.176 -7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.841 1.787 -9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.632 0.524 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.359 3.318 -10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.627 1.841 -11.147 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.197 3.615 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.898 1.893 -9.542 1.00 0.00 H new ATOM 86 N ASP A 344 62.693 4.096 -7.773 1.00 0.00 N ATOM 87 CA ASP A 344 63.739 4.991 -7.294 1.00 0.00 C ATOM 88 C ASP A 344 63.680 5.192 -5.785 1.00 0.00 C ATOM 89 O ASP A 344 64.706 5.349 -5.111 1.00 0.00 O ATOM 90 CB ASP A 344 63.630 6.346 -7.994 1.00 0.00 C ATOM 91 CG ASP A 344 64.364 7.428 -7.273 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.590 7.386 -7.209 1.00 0.00 O ATOM 93 OD2 ASP A 344 63.723 8.371 -6.784 1.00 0.00 O ATOM 0 H ASP A 344 62.033 4.529 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 344 64.695 4.524 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 344 64.022 6.259 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 344 62.579 6.622 -8.082 1.00 0.00 H new ATOM 98 N ILE A 345 62.500 5.106 -5.260 1.00 0.00 N ATOM 99 CA ILE A 345 62.281 5.519 -3.889 1.00 0.00 C ATOM 100 C ILE A 345 61.998 4.345 -2.972 1.00 0.00 C ATOM 101 O ILE A 345 61.971 4.493 -1.737 1.00 0.00 O ATOM 102 CB ILE A 345 61.136 6.583 -3.813 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.824 6.004 -3.314 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.934 7.278 -5.162 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.682 6.980 -3.339 1.00 0.00 C ATOM 0 H ILE A 345 61.673 4.758 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 345 63.205 5.976 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 345 61.458 7.323 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.564 5.139 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 345 59.961 5.645 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.132 8.011 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.856 7.781 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.670 6.537 -5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.780 6.494 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.920 7.835 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.517 7.321 -4.361 1.00 0.00 H new ATOM 117 N HIS A 346 61.783 3.202 -3.558 1.00 0.00 N ATOM 118 CA HIS A 346 61.428 2.032 -2.810 1.00 0.00 C ATOM 119 C HIS A 346 62.277 0.785 -3.062 1.00 0.00 C ATOM 120 O HIS A 346 63.209 0.772 -3.846 1.00 0.00 O ATOM 121 CB HIS A 346 59.955 1.733 -2.945 1.00 0.00 C ATOM 122 CG HIS A 346 59.088 2.671 -2.161 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.056 3.360 -2.731 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.137 2.959 -0.849 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.497 4.057 -1.736 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.125 3.838 -0.587 1.00 0.00 N ATOM 0 H HIS A 346 61.849 3.056 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 346 61.659 2.294 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.675 1.784 -3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.766 0.712 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.846 2.568 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.646 4.712 -1.852 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.896 4.248 0.318 1.00 0.00 H new ATOM 134 N CYS A 347 61.921 -0.249 -2.314 1.00 0.00 N ATOM 135 CA CYS A 347 62.591 -1.550 -2.241 1.00 0.00 C ATOM 136 C CYS A 347 62.790 -2.218 -3.612 1.00 0.00 C ATOM 137 O CYS A 347 63.858 -2.736 -3.871 1.00 0.00 O ATOM 138 CB CYS A 347 61.772 -2.438 -1.253 1.00 0.00 C ATOM 139 SG CYS A 347 62.363 -4.157 -0.845 1.00 0.00 S ATOM 0 H CYS A 347 61.106 -0.205 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 347 63.608 -1.412 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.692 -1.890 -0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.764 -2.528 -1.657 1.00 0.00 H new ATOM 0 HG CYS A 347 61.656 -4.638 0.135 1.00 0.00 H new ATOM 144 N GLY A 348 61.748 -2.307 -4.416 1.00 0.00 N ATOM 145 CA GLY A 348 61.908 -2.868 -5.756 1.00 0.00 C ATOM 146 C GLY A 348 62.059 -4.364 -5.780 1.00 0.00 C ATOM 147 O GLY A 348 62.173 -4.953 -6.840 1.00 0.00 O ATOM 0 H GLY A 348 60.802 -2.008 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.044 -2.591 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.783 -2.417 -6.225 1.00 0.00 H new ATOM 151 N VAL A 349 61.995 -4.977 -4.618 1.00 0.00 N ATOM 152 CA VAL A 349 62.188 -6.409 -4.528 1.00 0.00 C ATOM 153 C VAL A 349 60.902 -7.011 -4.741 1.00 0.00 C ATOM 154 O VAL A 349 59.978 -6.816 -3.938 1.00 0.00 O ATOM 155 CB VAL A 349 62.768 -6.905 -3.169 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.970 -8.421 -3.171 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.065 -6.220 -2.840 1.00 0.00 C ATOM 0 H VAL A 349 61.812 -4.512 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 349 62.930 -6.693 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 349 62.037 -6.650 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.376 -8.735 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.013 -8.915 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.665 -8.694 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.440 -6.590 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.795 -6.428 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.902 -5.144 -2.773 1.00 0.00 H new ATOM 167 N ILE A 350 60.811 -7.666 -5.814 1.00 0.00 N ATOM 168 CA ILE A 350 59.636 -8.290 -6.176 1.00 0.00 C ATOM 169 C ILE A 350 59.361 -9.439 -5.247 1.00 0.00 C ATOM 170 O ILE A 350 60.244 -10.254 -4.932 1.00 0.00 O ATOM 171 CB ILE A 350 59.632 -8.648 -7.657 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.657 -7.316 -8.437 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.444 -9.516 -8.005 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.354 -7.396 -9.906 1.00 0.00 C ATOM 0 H ILE A 350 61.575 -7.783 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 350 58.798 -7.602 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 350 60.504 -9.244 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.939 -6.637 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.643 -6.868 -8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.467 -9.756 -9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.484 -10.438 -7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.523 -8.981 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.402 -6.398 -10.342 1.00 0.00 H new ATOM 0 HD12 ILE A 350 60.085 -8.041 -10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.355 -7.807 -10.050 1.00 0.00 H new ATOM 186 N ASP A 351 58.177 -9.446 -4.753 1.00 0.00 N ATOM 187 CA ASP A 351 57.795 -10.358 -3.742 1.00 0.00 C ATOM 188 C ASP A 351 57.455 -11.672 -4.348 1.00 0.00 C ATOM 189 O ASP A 351 56.726 -11.730 -5.287 1.00 0.00 O ATOM 190 CB ASP A 351 56.615 -9.801 -3.007 1.00 0.00 C ATOM 191 CG ASP A 351 56.197 -10.639 -1.873 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.956 -10.762 -0.890 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.117 -11.197 -1.947 1.00 0.00 O ATOM 0 H ASP A 351 57.436 -8.808 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 351 58.619 -10.505 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.858 -8.803 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.780 -9.693 -3.699 1.00 0.00 H new ATOM 198 N LEU A 352 58.013 -12.707 -3.840 1.00 0.00 N ATOM 199 CA LEU A 352 57.772 -14.033 -4.337 1.00 0.00 C ATOM 200 C LEU A 352 56.455 -14.638 -3.848 1.00 0.00 C ATOM 201 O LEU A 352 56.100 -15.750 -4.242 1.00 0.00 O ATOM 202 CB LEU A 352 58.967 -14.900 -4.017 1.00 0.00 C ATOM 203 CG LEU A 352 60.091 -14.963 -5.069 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.722 -15.922 -6.186 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.392 -13.596 -5.676 1.00 0.00 C ATOM 0 H LEU A 352 58.662 -12.669 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 352 57.651 -13.976 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.400 -14.547 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.611 -15.915 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 352 60.983 -15.314 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.528 -15.953 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.568 -16.919 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.805 -15.583 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.191 -13.692 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.496 -13.208 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.704 -12.909 -4.889 1.00 0.00 H new ATOM 217 N ASP A 353 55.743 -13.928 -2.999 1.00 0.00 N ATOM 218 CA ASP A 353 54.444 -14.364 -2.538 1.00 0.00 C ATOM 219 C ASP A 353 53.352 -13.728 -3.382 1.00 0.00 C ATOM 220 O ASP A 353 52.451 -14.412 -3.890 1.00 0.00 O ATOM 221 CB ASP A 353 54.237 -14.005 -1.060 1.00 0.00 C ATOM 222 CG ASP A 353 54.926 -14.935 -0.087 1.00 0.00 C ATOM 223 OD1 ASP A 353 56.170 -14.897 0.057 1.00 0.00 O ATOM 224 OD2 ASP A 353 54.223 -15.715 0.596 1.00 0.00 O ATOM 0 H ASP A 353 56.048 -13.035 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 353 54.393 -15.448 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.598 -12.991 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.168 -14.002 -0.846 1.00 0.00 H new ATOM 229 N THR A 354 53.428 -12.427 -3.526 1.00 0.00 N ATOM 230 CA THR A 354 52.458 -11.673 -4.291 1.00 0.00 C ATOM 231 C THR A 354 52.870 -11.509 -5.747 1.00 0.00 C ATOM 232 O THR A 354 52.019 -11.514 -6.657 1.00 0.00 O ATOM 233 CB THR A 354 52.192 -10.303 -3.637 1.00 0.00 C ATOM 234 OG1 THR A 354 53.438 -9.642 -3.375 1.00 0.00 O ATOM 235 CG2 THR A 354 51.434 -10.467 -2.335 1.00 0.00 C ATOM 0 H THR A 354 54.167 -11.857 -3.115 1.00 0.00 H new ATOM 0 HA THR A 354 51.531 -12.247 -4.287 1.00 0.00 H new ATOM 0 HB THR A 354 51.591 -9.707 -4.323 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.890 -10.082 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.257 -9.487 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.479 -10.955 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.020 -11.077 -1.647 1.00 0.00 H new ATOM 243 N LYS A 355 54.165 -11.385 -5.962 1.00 0.00 N ATOM 244 CA LYS A 355 54.750 -11.200 -7.285 1.00 0.00 C ATOM 245 C LYS A 355 54.413 -9.886 -7.864 1.00 0.00 C ATOM 246 O LYS A 355 53.784 -9.743 -8.912 1.00 0.00 O ATOM 247 CB LYS A 355 54.576 -12.370 -8.235 1.00 0.00 C ATOM 248 CG LYS A 355 55.529 -13.524 -7.968 1.00 0.00 C ATOM 249 CD LYS A 355 56.994 -13.183 -8.291 1.00 0.00 C ATOM 250 CE LYS A 355 57.217 -12.794 -9.764 1.00 0.00 C ATOM 251 NZ LYS A 355 56.876 -13.880 -10.716 1.00 0.00 N ATOM 0 H LYS A 355 54.856 -11.410 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 355 55.828 -11.190 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.551 -12.734 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.721 -12.021 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.452 -13.816 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 355 55.223 -14.385 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.318 -12.361 -7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.621 -14.041 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.615 -11.915 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 355 58.260 -12.512 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 57.064 -13.561 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.455 -14.718 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.869 -14.123 -10.620 1.00 0.00 H new ATOM 265 N LYS A 356 54.766 -8.955 -7.098 1.00 0.00 N ATOM 266 CA LYS A 356 54.675 -7.570 -7.372 1.00 0.00 C ATOM 267 C LYS A 356 55.881 -6.960 -6.719 1.00 0.00 C ATOM 268 O LYS A 356 56.515 -7.631 -5.892 1.00 0.00 O ATOM 269 CB LYS A 356 53.412 -7.019 -6.738 1.00 0.00 C ATOM 270 CG LYS A 356 53.421 -7.067 -5.231 1.00 0.00 C ATOM 271 CD LYS A 356 52.374 -6.170 -4.645 1.00 0.00 C ATOM 272 CE LYS A 356 52.468 -6.165 -3.136 1.00 0.00 C ATOM 273 NZ LYS A 356 53.859 -5.931 -2.681 1.00 0.00 N ATOM 0 H LYS A 356 55.163 -9.142 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 356 54.639 -7.356 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.275 -5.986 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.555 -7.583 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.252 -8.091 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.403 -6.770 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.499 -5.157 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.384 -6.507 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.816 -5.390 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.111 -7.118 -2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.847 -5.398 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.334 -6.844 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 54.373 -5.386 -3.402 1.00 0.00 H new ATOM 287 N PRO A 357 56.244 -5.738 -7.050 1.00 0.00 N ATOM 288 CA PRO A 357 57.346 -5.103 -6.428 1.00 0.00 C ATOM 289 C PRO A 357 57.085 -4.678 -5.039 1.00 0.00 C ATOM 290 O PRO A 357 56.055 -5.004 -4.417 1.00 0.00 O ATOM 291 CB PRO A 357 57.690 -3.941 -7.285 1.00 0.00 C ATOM 292 CG PRO A 357 56.560 -3.716 -8.210 1.00 0.00 C ATOM 293 CD PRO A 357 55.611 -4.884 -8.055 1.00 0.00 C ATOM 0 HA PRO A 357 58.170 -5.812 -6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.868 -3.055 -6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.607 -4.134 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.055 -2.778 -7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.914 -3.643 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.624 -4.554 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.476 -5.414 -8.998 1.00 0.00 H new ATOM 301 N CYS A 358 58.004 -3.943 -4.534 1.00 0.00 N ATOM 302 CA CYS A 358 57.980 -3.667 -3.239 1.00 0.00 C ATOM 303 C CYS A 358 58.218 -2.264 -2.993 1.00 0.00 C ATOM 304 O CYS A 358 59.326 -1.753 -3.171 1.00 0.00 O ATOM 305 CB CYS A 358 58.967 -4.437 -2.581 1.00 0.00 C ATOM 306 SG CYS A 358 58.771 -4.332 -0.845 1.00 0.00 S ATOM 0 H CYS A 358 58.781 -3.536 -5.055 1.00 0.00 H new ATOM 0 HA CYS A 358 56.990 -3.913 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.896 -5.477 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.959 -4.084 -2.863 1.00 0.00 H new ATOM 0 HG CYS A 358 58.772 -5.528 -0.335 1.00 0.00 H new ATOM 311 N THR A 359 57.242 -1.681 -2.557 1.00 0.00 N ATOM 312 CA THR A 359 57.239 -0.296 -2.258 1.00 0.00 C ATOM 313 C THR A 359 56.995 -0.040 -0.757 1.00 0.00 C ATOM 314 O THR A 359 56.476 0.962 -0.344 1.00 0.00 O ATOM 315 CB THR A 359 56.314 0.457 -3.285 1.00 0.00 C ATOM 316 OG1 THR A 359 55.930 1.774 -2.936 1.00 0.00 O ATOM 317 CG2 THR A 359 55.141 -0.371 -3.719 1.00 0.00 C ATOM 0 H THR A 359 56.351 -2.143 -2.373 1.00 0.00 H new ATOM 0 HA THR A 359 58.225 0.145 -2.404 1.00 0.00 H new ATOM 0 HB THR A 359 56.970 0.598 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.628 2.403 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.537 0.197 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.497 -1.284 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.536 -0.628 -2.850 1.00 0.00 H new ATOM 325 N ARG A 360 57.564 -0.930 0.049 1.00 0.00 N ATOM 326 CA ARG A 360 57.444 -0.848 1.505 1.00 0.00 C ATOM 327 C ARG A 360 58.250 0.307 2.032 1.00 0.00 C ATOM 328 O ARG A 360 57.713 1.310 2.488 1.00 0.00 O ATOM 329 CB ARG A 360 57.909 -2.153 2.152 1.00 0.00 C ATOM 330 CG ARG A 360 56.905 -3.269 1.991 1.00 0.00 C ATOM 331 CD ARG A 360 56.512 -3.885 3.318 1.00 0.00 C ATOM 332 NE ARG A 360 55.484 -4.926 3.140 1.00 0.00 N ATOM 333 CZ ARG A 360 54.140 -4.721 3.117 1.00 0.00 C ATOM 334 NH1 ARG A 360 53.627 -3.506 3.268 1.00 0.00 N ATOM 335 NH2 ARG A 360 53.329 -5.744 2.936 1.00 0.00 N ATOM 0 H ARG A 360 58.116 -1.721 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 360 56.396 -0.687 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.858 -2.456 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.092 -1.984 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.015 -2.885 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.323 -4.041 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.391 -4.317 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.136 -3.109 3.985 1.00 0.00 H new ATOM 0 HE ARG A 360 55.810 -5.886 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 360 54.244 -2.705 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 360 52.616 -3.373 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 360 53.711 -6.682 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 360 52.320 -5.598 2.918 1.00 0.00 H new ATOM 349 N SER A 361 59.527 0.156 1.914 1.00 0.00 N ATOM 350 CA SER A 361 60.478 1.119 2.331 1.00 0.00 C ATOM 351 C SER A 361 61.818 0.676 1.848 1.00 0.00 C ATOM 352 O SER A 361 61.953 -0.433 1.240 1.00 0.00 O ATOM 353 CB SER A 361 60.502 1.228 3.850 1.00 0.00 C ATOM 354 OG SER A 361 60.643 -0.054 4.428 1.00 0.00 O ATOM 0 H SER A 361 59.949 -0.678 1.507 1.00 0.00 H new ATOM 0 HA SER A 361 60.217 2.095 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.326 1.869 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.583 1.695 4.203 1.00 0.00 H new ATOM 0 HG SER A 361 60.659 0.027 5.404 1.00 0.00 H new ATOM 360 N LEU A 362 62.792 1.468 2.137 1.00 0.00 N ATOM 361 CA LEU A 362 64.150 1.223 1.802 1.00 0.00 C ATOM 362 C LEU A 362 64.829 0.464 2.908 1.00 0.00 C ATOM 363 O LEU A 362 66.001 0.220 2.888 1.00 0.00 O ATOM 364 CB LEU A 362 64.784 2.549 1.565 1.00 0.00 C ATOM 365 CG LEU A 362 64.147 3.314 0.428 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.711 4.696 0.297 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.264 2.511 -0.848 1.00 0.00 C ATOM 0 H LEU A 362 62.655 2.346 2.638 1.00 0.00 H new ATOM 0 HA LEU A 362 64.237 0.608 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.721 3.144 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.843 2.406 1.351 1.00 0.00 H new ATOM 0 HG LEU A 362 63.088 3.453 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.225 5.210 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.536 5.249 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.783 4.635 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.805 3.062 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.316 2.336 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.756 1.555 -0.724 1.00 0.00 H new ATOM 379 N THR A 363 64.059 0.110 3.857 1.00 0.00 N ATOM 380 CA THR A 363 64.495 -0.713 4.945 1.00 0.00 C ATOM 381 C THR A 363 63.423 -1.763 5.165 1.00 0.00 C ATOM 382 O THR A 363 63.215 -2.256 6.262 1.00 0.00 O ATOM 383 CB THR A 363 64.790 0.146 6.212 1.00 0.00 C ATOM 384 OG1 THR A 363 65.064 -0.657 7.365 1.00 0.00 O ATOM 385 CG2 THR A 363 63.678 1.114 6.492 1.00 0.00 C ATOM 0 H THR A 363 63.078 0.384 3.915 1.00 0.00 H new ATOM 0 HA THR A 363 65.438 -1.210 4.718 1.00 0.00 H new ATOM 0 HB THR A 363 65.693 0.716 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.530 -1.478 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.918 1.696 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.557 1.785 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.751 0.565 6.656 1.00 0.00 H new ATOM 393 N CYS A 364 62.801 -2.120 4.024 1.00 0.00 N ATOM 394 CA CYS A 364 61.735 -3.103 3.902 1.00 0.00 C ATOM 395 C CYS A 364 61.895 -4.273 4.871 1.00 0.00 C ATOM 396 O CYS A 364 62.872 -5.013 4.795 1.00 0.00 O ATOM 397 CB CYS A 364 61.769 -3.646 2.523 1.00 0.00 C ATOM 398 SG CYS A 364 60.640 -4.996 2.284 1.00 0.00 S ATOM 0 H CYS A 364 63.049 -1.704 3.126 1.00 0.00 H new ATOM 0 HA CYS A 364 60.794 -2.604 4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.530 -2.850 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.781 -3.980 2.294 1.00 0.00 H new ATOM 0 HG CYS A 364 59.959 -4.804 1.194 1.00 0.00 H new ATOM 403 N LYS A 365 60.893 -4.473 5.675 1.00 0.00 N ATOM 404 CA LYS A 365 60.898 -5.381 6.771 1.00 0.00 C ATOM 405 C LYS A 365 60.600 -6.807 6.335 1.00 0.00 C ATOM 406 O LYS A 365 60.864 -7.756 7.063 1.00 0.00 O ATOM 407 CB LYS A 365 59.867 -4.825 7.756 1.00 0.00 C ATOM 408 CG LYS A 365 59.671 -5.577 9.032 1.00 0.00 C ATOM 409 CD LYS A 365 58.830 -4.771 10.032 1.00 0.00 C ATOM 410 CE LYS A 365 57.446 -4.364 9.484 1.00 0.00 C ATOM 411 NZ LYS A 365 56.564 -5.523 9.217 1.00 0.00 N ATOM 0 H LYS A 365 60.007 -3.979 5.574 1.00 0.00 H new ATOM 0 HA LYS A 365 61.881 -5.452 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.154 -3.804 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.906 -4.770 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.180 -6.528 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.641 -5.808 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.694 -5.361 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.379 -3.873 10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 365 56.959 -3.701 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.579 -3.796 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 55.650 -5.187 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.011 -6.145 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.410 -6.053 10.099 1.00 0.00 H new ATOM 425 N THR A 366 60.118 -6.954 5.135 1.00 0.00 N ATOM 426 CA THR A 366 59.745 -8.238 4.645 1.00 0.00 C ATOM 427 C THR A 366 60.960 -8.964 4.082 1.00 0.00 C ATOM 428 O THR A 366 61.163 -10.172 4.256 1.00 0.00 O ATOM 429 CB THR A 366 58.868 -8.030 3.450 1.00 0.00 C ATOM 430 OG1 THR A 366 57.865 -7.038 3.697 1.00 0.00 O ATOM 431 CG2 THR A 366 58.275 -9.326 2.922 1.00 0.00 C ATOM 0 H THR A 366 59.975 -6.189 4.476 1.00 0.00 H new ATOM 0 HA THR A 366 59.278 -8.794 5.458 1.00 0.00 H new ATOM 0 HB THR A 366 59.511 -7.649 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.756 -6.477 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.648 -9.113 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.079 -10.002 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.672 -9.794 3.700 1.00 0.00 H new ATOM 439 N HIS A 367 61.753 -8.181 3.417 1.00 0.00 N ATOM 440 CA HIS A 367 62.780 -8.654 2.550 1.00 0.00 C ATOM 441 C HIS A 367 64.101 -8.387 3.150 1.00 0.00 C ATOM 442 O HIS A 367 64.324 -7.295 3.639 1.00 0.00 O ATOM 443 CB HIS A 367 62.646 -7.942 1.170 1.00 0.00 C ATOM 444 CG HIS A 367 61.439 -8.350 0.325 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.696 -7.418 -0.399 1.00 0.00 N ATOM 446 CD2 HIS A 367 60.926 -9.587 0.108 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.752 -8.152 -1.031 1.00 0.00 C ATOM 448 NE2 HIS A 367 59.864 -9.447 -0.745 1.00 0.00 N ATOM 0 H HIS A 367 61.699 -7.164 3.467 1.00 0.00 H new ATOM 0 HA HIS A 367 62.682 -9.730 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.599 -6.866 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.551 -8.135 0.594 1.00 0.00 H new ATOM 0 HD1 HIS A 367 60.834 -6.408 -0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.289 -10.512 0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.000 -7.738 -1.687 1.00 0.00 H new ATOM 456 N SER A 368 64.969 -9.356 3.093 1.00 0.00 N ATOM 457 CA SER A 368 66.266 -9.221 3.664 1.00 0.00 C ATOM 458 C SER A 368 67.166 -8.307 2.904 1.00 0.00 C ATOM 459 O SER A 368 67.000 -8.118 1.698 1.00 0.00 O ATOM 460 CB SER A 368 66.883 -10.559 3.960 1.00 0.00 C ATOM 461 OG SER A 368 66.789 -11.434 2.866 1.00 0.00 O ATOM 0 H SER A 368 64.792 -10.257 2.649 1.00 0.00 H new ATOM 0 HA SER A 368 66.128 -8.721 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 368 67.931 -10.424 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.388 -11.004 4.824 1.00 0.00 H new ATOM 0 HG SER A 368 67.202 -12.292 3.097 1.00 0.00 H new ATOM 467 N LEU A 369 68.107 -7.733 3.629 1.00 0.00 N ATOM 468 CA LEU A 369 69.056 -6.757 3.149 1.00 0.00 C ATOM 469 C LEU A 369 69.692 -7.159 1.843 1.00 0.00 C ATOM 470 O LEU A 369 69.750 -6.346 0.901 1.00 0.00 O ATOM 471 CB LEU A 369 70.086 -6.476 4.265 1.00 0.00 C ATOM 472 CG LEU A 369 71.266 -5.503 3.987 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.397 -6.203 3.258 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.801 -4.324 3.155 1.00 0.00 C ATOM 0 H LEU A 369 68.233 -7.948 4.618 1.00 0.00 H new ATOM 0 HA LEU A 369 68.530 -5.830 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.539 -6.090 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.514 -7.433 4.563 1.00 0.00 H new ATOM 0 HG LEU A 369 71.629 -5.151 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.207 -5.496 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.765 -7.030 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.033 -6.587 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.641 -3.654 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.408 -4.683 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.019 -3.786 3.691 1.00 0.00 H new ATOM 486 N THR A 370 70.081 -8.400 1.746 1.00 0.00 N ATOM 487 CA THR A 370 70.763 -8.867 0.555 1.00 0.00 C ATOM 488 C THR A 370 69.836 -8.783 -0.663 1.00 0.00 C ATOM 489 O THR A 370 70.258 -8.448 -1.769 1.00 0.00 O ATOM 490 CB THR A 370 71.270 -10.309 0.722 1.00 0.00 C ATOM 491 OG1 THR A 370 72.091 -10.391 1.897 1.00 0.00 O ATOM 492 CG2 THR A 370 72.092 -10.706 -0.484 1.00 0.00 C ATOM 0 H THR A 370 69.942 -9.107 2.468 1.00 0.00 H new ATOM 0 HA THR A 370 71.625 -8.218 0.398 1.00 0.00 H new ATOM 0 HB THR A 370 70.417 -10.981 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.414 -11.310 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.449 -11.729 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.476 -10.642 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 370 72.944 -10.034 -0.581 1.00 0.00 H new ATOM 500 N GLN A 371 68.557 -8.950 -0.409 1.00 0.00 N ATOM 501 CA GLN A 371 67.574 -9.012 -1.471 1.00 0.00 C ATOM 502 C GLN A 371 67.357 -7.630 -2.028 1.00 0.00 C ATOM 503 O GLN A 371 67.101 -7.455 -3.221 1.00 0.00 O ATOM 504 CB GLN A 371 66.251 -9.559 -0.960 1.00 0.00 C ATOM 505 CG GLN A 371 66.394 -10.754 -0.046 1.00 0.00 C ATOM 506 CD GLN A 371 65.100 -11.508 0.153 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.024 -10.789 0.145 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.078 -12.720 0.348 1.00 0.00 N flip ATOM 0 H GLN A 371 68.170 -9.046 0.530 1.00 0.00 H new ATOM 0 HA GLN A 371 67.947 -9.679 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.723 -8.768 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.631 -9.838 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.142 -11.431 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.765 -10.420 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 371 65.948 -13.253 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.190 -13.194 0.511 1.00 0.00 H new ATOM 517 N ARG A 372 67.482 -6.632 -1.156 1.00 0.00 N ATOM 518 CA ARG A 372 67.310 -5.272 -1.603 1.00 0.00 C ATOM 519 C ARG A 372 68.528 -4.822 -2.375 1.00 0.00 C ATOM 520 O ARG A 372 68.400 -4.088 -3.343 1.00 0.00 O ATOM 521 CB ARG A 372 67.063 -4.234 -0.508 1.00 0.00 C ATOM 522 CG ARG A 372 65.856 -4.399 0.379 1.00 0.00 C ATOM 523 CD ARG A 372 66.148 -5.370 1.454 1.00 0.00 C ATOM 524 NE ARG A 372 65.548 -5.019 2.699 1.00 0.00 N ATOM 525 CZ ARG A 372 66.172 -4.470 3.753 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.370 -3.915 3.634 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.564 -4.450 4.906 1.00 0.00 N ATOM 0 H ARG A 372 67.696 -6.743 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 372 66.407 -5.312 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 372 67.945 -4.211 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 372 66.992 -3.257 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.578 -3.438 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.005 -4.741 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.795 -6.356 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.227 -5.445 1.585 1.00 0.00 H new ATOM 0 HE ARG A 372 64.550 -5.203 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.837 -3.899 2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.825 -3.504 4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.629 -4.848 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.023 -4.037 5.718 1.00 0.00 H new ATOM 541 N ARG A 373 69.728 -5.246 -1.920 1.00 0.00 N ATOM 542 CA ARG A 373 70.964 -4.859 -2.603 1.00 0.00 C ATOM 543 C ARG A 373 71.024 -5.467 -3.983 1.00 0.00 C ATOM 544 O ARG A 373 71.472 -4.826 -4.942 1.00 0.00 O ATOM 545 CB ARG A 373 72.197 -5.277 -1.822 1.00 0.00 C ATOM 546 CG ARG A 373 72.319 -4.658 -0.465 1.00 0.00 C ATOM 547 CD ARG A 373 73.651 -4.960 0.146 1.00 0.00 C ATOM 548 NE ARG A 373 74.702 -4.129 -0.437 1.00 0.00 N ATOM 549 CZ ARG A 373 75.834 -4.555 -0.997 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.047 -5.845 -1.217 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.734 -3.660 -1.374 1.00 0.00 N ATOM 0 H ARG A 373 69.858 -5.842 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 373 70.955 -3.772 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.190 -6.361 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.083 -5.021 -2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.186 -3.579 -0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.525 -5.032 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.607 -4.792 1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.892 -6.013 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 373 74.554 -3.120 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.338 -6.531 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.920 -6.152 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.554 -2.666 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.607 -3.965 -1.805 1.00 0.00 H new ATOM 565 N ALA A 374 70.568 -6.701 -4.071 1.00 0.00 N ATOM 566 CA ALA A 374 70.541 -7.448 -5.320 1.00 0.00 C ATOM 567 C ALA A 374 69.696 -6.763 -6.409 1.00 0.00 C ATOM 568 O ALA A 374 70.067 -6.778 -7.589 1.00 0.00 O ATOM 569 CB ALA A 374 70.055 -8.871 -5.084 1.00 0.00 C ATOM 0 H ALA A 374 70.202 -7.220 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 374 71.566 -7.476 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 374 70.042 -9.413 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.726 -9.374 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.049 -8.847 -4.666 1.00 0.00 H new ATOM 575 N VAL A 375 68.584 -6.164 -6.030 1.00 0.00 N ATOM 576 CA VAL A 375 67.711 -5.528 -7.007 1.00 0.00 C ATOM 577 C VAL A 375 68.137 -4.084 -7.254 1.00 0.00 C ATOM 578 O VAL A 375 68.334 -3.313 -6.326 1.00 0.00 O ATOM 579 CB VAL A 375 66.203 -5.589 -6.595 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.928 -4.814 -5.314 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.310 -5.103 -7.727 1.00 0.00 C ATOM 0 H VAL A 375 68.263 -6.102 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 375 67.813 -6.093 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 375 65.966 -6.634 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.869 -4.884 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.519 -5.234 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.199 -3.768 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.267 -5.155 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.564 -4.072 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.459 -5.733 -8.604 1.00 0.00 H new ATOM 591 N GLN A 376 68.270 -3.726 -8.498 1.00 0.00 N ATOM 592 CA GLN A 376 68.656 -2.388 -8.890 1.00 0.00 C ATOM 593 C GLN A 376 67.421 -1.517 -9.227 1.00 0.00 C ATOM 594 O GLN A 376 67.430 -0.739 -10.189 1.00 0.00 O ATOM 595 CB GLN A 376 69.618 -2.488 -10.064 1.00 0.00 C ATOM 596 CG GLN A 376 69.126 -3.392 -11.184 1.00 0.00 C ATOM 597 CD GLN A 376 70.098 -3.497 -12.325 1.00 0.00 C ATOM 598 OE1 GLN A 376 70.864 -2.479 -12.537 1.00 0.00 O flip ATOM 599 NE2 GLN A 376 70.160 -4.521 -13.014 1.00 0.00 N flip ATOM 0 H GLN A 376 68.113 -4.357 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 376 69.156 -1.892 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.792 -1.490 -10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.578 -2.859 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.937 -4.388 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.175 -3.013 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 376 69.539 -5.306 -12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.832 -4.581 -13.779 1.00 0.00 H new ATOM 608 N GLY A 377 66.375 -1.653 -8.399 1.00 0.00 N ATOM 609 CA GLY A 377 65.137 -0.864 -8.536 1.00 0.00 C ATOM 610 C GLY A 377 65.390 0.613 -8.466 1.00 0.00 C ATOM 611 O GLY A 377 64.923 1.371 -9.309 1.00 0.00 O ATOM 0 H GLY A 377 66.361 -2.309 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.660 -1.104 -9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.439 -1.148 -7.748 1.00 0.00 H new ATOM 615 N ARG A 378 66.165 0.998 -7.498 1.00 0.00 N ATOM 616 CA ARG A 378 66.516 2.385 -7.264 1.00 0.00 C ATOM 617 C ARG A 378 67.424 2.851 -8.368 1.00 0.00 C ATOM 618 O ARG A 378 67.997 2.035 -9.097 1.00 0.00 O ATOM 619 CB ARG A 378 67.258 2.475 -5.977 1.00 0.00 C ATOM 620 CG ARG A 378 66.579 1.786 -4.827 1.00 0.00 C ATOM 621 CD ARG A 378 67.619 1.238 -3.945 1.00 0.00 C ATOM 622 NE ARG A 378 67.012 0.245 -3.138 1.00 0.00 N ATOM 623 CZ ARG A 378 66.825 -0.990 -3.567 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.223 -1.325 -4.793 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.273 -1.881 -2.785 1.00 0.00 N ATOM 0 H ARG A 378 66.585 0.352 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 378 65.616 2.999 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.250 2.043 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.400 3.526 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.948 2.488 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.929 0.990 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.433 0.811 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.050 2.025 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 378 66.710 0.491 -2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.668 -0.630 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.083 -2.277 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.986 -1.623 -1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.130 -2.834 -3.119 1.00 0.00 H new ATOM 639 N ARG A 379 67.596 4.129 -8.489 1.00 0.00 N ATOM 640 CA ARG A 379 68.411 4.650 -9.563 1.00 0.00 C ATOM 641 C ARG A 379 69.877 4.740 -9.149 1.00 0.00 C ATOM 642 O ARG A 379 70.727 5.156 -9.915 1.00 0.00 O ATOM 643 CB ARG A 379 67.869 5.988 -10.017 1.00 0.00 C ATOM 644 CG ARG A 379 68.083 7.137 -9.078 1.00 0.00 C ATOM 645 CD ARG A 379 67.226 8.294 -9.497 1.00 0.00 C ATOM 646 NE ARG A 379 67.708 9.590 -8.981 1.00 0.00 N ATOM 647 CZ ARG A 379 66.970 10.470 -8.291 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.882 10.076 -7.686 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.391 11.717 -8.124 1.00 0.00 N ATOM 0 H ARG A 379 67.192 4.832 -7.870 1.00 0.00 H new ATOM 0 HA ARG A 379 68.365 3.962 -10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.327 6.237 -10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.798 5.883 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.836 6.838 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 379 69.133 7.430 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.188 8.335 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.207 8.128 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 379 68.681 9.835 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.594 9.099 -7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.320 10.745 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.283 12.012 -8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 379 66.823 12.381 -7.597 1.00 0.00 H new ATOM 663 N LYS A 380 70.139 4.355 -7.931 1.00 0.00 N ATOM 664 CA LYS A 380 71.429 4.347 -7.346 1.00 0.00 C ATOM 665 C LYS A 380 71.524 2.978 -6.693 1.00 0.00 C ATOM 666 O LYS A 380 70.512 2.254 -6.682 1.00 0.00 O ATOM 667 CB LYS A 380 71.428 5.422 -6.260 1.00 0.00 C ATOM 668 CG LYS A 380 70.848 6.744 -6.715 1.00 0.00 C ATOM 669 CD LYS A 380 70.348 7.565 -5.556 1.00 0.00 C ATOM 670 CE LYS A 380 69.572 8.771 -6.065 1.00 0.00 C ATOM 671 NZ LYS A 380 69.012 9.582 -4.967 1.00 0.00 N ATOM 0 H LYS A 380 69.413 4.023 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 380 72.245 4.531 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.859 5.061 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.451 5.582 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.608 7.306 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.029 6.561 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.709 6.955 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.188 7.895 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.229 9.392 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.763 8.433 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.464 10.372 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.390 8.990 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 69.786 9.957 -4.382 1.00 0.00 H new ATOM 685 N ARG A 381 72.683 2.609 -6.163 1.00 0.00 N ATOM 686 CA ARG A 381 72.806 1.342 -5.413 1.00 0.00 C ATOM 687 C ARG A 381 71.944 1.418 -4.214 1.00 0.00 C ATOM 688 O ARG A 381 71.583 2.495 -3.771 1.00 0.00 O ATOM 689 CB ARG A 381 74.224 1.076 -4.933 1.00 0.00 C ATOM 690 CG ARG A 381 75.238 1.152 -6.001 1.00 0.00 C ATOM 691 CD ARG A 381 76.612 0.793 -5.500 1.00 0.00 C ATOM 692 NE ARG A 381 77.628 1.055 -6.516 1.00 0.00 N ATOM 693 CZ ARG A 381 78.877 0.581 -6.495 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.230 -0.342 -5.607 1.00 0.00 N ATOM 695 NH2 ARG A 381 79.758 1.012 -7.386 1.00 0.00 N ATOM 0 H ARG A 381 73.545 3.151 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 381 72.515 0.539 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.475 1.796 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.264 0.087 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 381 74.961 0.479 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.255 2.161 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.836 1.367 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.637 -0.260 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 381 77.363 1.646 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.546 -0.693 -4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.185 -0.700 -5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.481 1.703 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 381 80.713 0.653 -7.374 1.00 0.00 H new ATOM 709 N PHE A 382 71.657 0.318 -3.662 1.00 0.00 N ATOM 710 CA PHE A 382 70.798 0.287 -2.534 1.00 0.00 C ATOM 711 C PHE A 382 71.444 0.906 -1.313 1.00 0.00 C ATOM 712 O PHE A 382 70.804 1.596 -0.565 1.00 0.00 O ATOM 713 CB PHE A 382 70.310 -1.122 -2.252 1.00 0.00 C ATOM 714 CG PHE A 382 69.525 -1.226 -0.976 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.535 -0.316 -0.703 1.00 0.00 C ATOM 716 CD2 PHE A 382 69.800 -2.186 -0.046 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.840 -0.355 0.440 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.103 -2.221 1.125 1.00 0.00 C ATOM 719 CZ PHE A 382 68.121 -1.301 1.357 1.00 0.00 C ATOM 0 H PHE A 382 72.002 -0.592 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 382 69.927 0.897 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.690 -1.459 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.167 -1.794 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.311 0.451 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.570 -2.918 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 382 67.059 0.367 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.327 -2.974 1.867 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.565 -1.332 2.283 1.00 0.00 H new ATOM 729 N ASP A 383 72.688 0.710 -1.172 1.00 0.00 N ATOM 730 CA ASP A 383 73.408 1.166 0.001 1.00 0.00 C ATOM 731 C ASP A 383 73.474 2.678 0.018 1.00 0.00 C ATOM 732 O ASP A 383 73.217 3.316 1.041 1.00 0.00 O ATOM 733 CB ASP A 383 74.804 0.629 -0.032 1.00 0.00 C ATOM 734 CG ASP A 383 74.878 -0.875 -0.136 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.805 -1.411 -1.265 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.026 -1.555 0.901 1.00 0.00 O ATOM 0 H ASP A 383 73.268 0.226 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 383 72.887 0.813 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.332 1.068 -0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.327 0.947 0.870 1.00 0.00 H new ATOM 741 N VAL A 384 73.794 3.240 -1.129 1.00 0.00 N ATOM 742 CA VAL A 384 73.914 4.677 -1.300 1.00 0.00 C ATOM 743 C VAL A 384 72.560 5.336 -1.141 1.00 0.00 C ATOM 744 O VAL A 384 72.430 6.442 -0.609 1.00 0.00 O ATOM 745 CB VAL A 384 74.517 4.983 -2.686 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.555 4.748 -3.837 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.187 6.331 -2.755 1.00 0.00 C ATOM 0 H VAL A 384 73.981 2.708 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 384 74.577 5.080 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 384 75.308 4.244 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.050 4.984 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.243 3.704 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.680 5.387 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.591 6.486 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.459 7.111 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.997 6.372 -2.027 1.00 0.00 H new ATOM 757 N LEU A 385 71.574 4.619 -1.579 1.00 0.00 N ATOM 758 CA LEU A 385 70.239 4.996 -1.516 1.00 0.00 C ATOM 759 C LEU A 385 69.759 4.931 -0.065 1.00 0.00 C ATOM 760 O LEU A 385 69.093 5.846 0.421 1.00 0.00 O ATOM 761 CB LEU A 385 69.461 4.023 -2.409 1.00 0.00 C ATOM 762 CG LEU A 385 68.027 4.289 -2.643 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.276 3.726 -1.500 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.809 5.778 -2.788 1.00 0.00 C ATOM 0 H LEU A 385 71.711 3.705 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 385 70.088 6.019 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.957 3.991 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.549 3.028 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 385 67.676 3.822 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.210 3.906 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.458 2.653 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.605 4.204 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.751 5.976 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 385 68.128 6.283 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.390 6.150 -3.632 1.00 0.00 H new ATOM 776 N LEU A 386 70.077 3.837 0.614 1.00 0.00 N ATOM 777 CA LEU A 386 69.675 3.655 2.002 1.00 0.00 C ATOM 778 C LEU A 386 70.311 4.738 2.846 1.00 0.00 C ATOM 779 O LEU A 386 69.751 5.157 3.848 1.00 0.00 O ATOM 780 CB LEU A 386 70.143 2.326 2.531 1.00 0.00 C ATOM 781 CG LEU A 386 69.130 1.436 3.292 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.843 0.311 4.007 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.242 2.210 4.261 1.00 0.00 C ATOM 0 H LEU A 386 70.613 3.061 0.225 1.00 0.00 H new ATOM 0 HA LEU A 386 68.587 3.701 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.524 1.749 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.986 2.512 3.196 1.00 0.00 H new ATOM 0 HG LEU A 386 68.463 1.022 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 386 69.114 -0.303 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.375 -0.302 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.554 0.727 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.558 1.521 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.863 2.706 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.669 2.957 3.712 1.00 0.00 H new ATOM 795 N ALA A 387 71.481 5.190 2.418 1.00 0.00 N ATOM 796 CA ALA A 387 72.189 6.258 3.090 1.00 0.00 C ATOM 797 C ALA A 387 71.335 7.531 3.083 1.00 0.00 C ATOM 798 O ALA A 387 71.276 8.269 4.066 1.00 0.00 O ATOM 799 CB ALA A 387 73.528 6.491 2.411 1.00 0.00 C ATOM 0 H ALA A 387 71.961 4.824 1.596 1.00 0.00 H new ATOM 0 HA ALA A 387 72.376 5.980 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 387 74.059 7.296 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 387 74.123 5.579 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.365 6.766 1.369 1.00 0.00 H new ATOM 805 N GLU A 388 70.635 7.753 1.984 1.00 0.00 N ATOM 806 CA GLU A 388 69.735 8.877 1.844 1.00 0.00 C ATOM 807 C GLU A 388 68.505 8.612 2.688 1.00 0.00 C ATOM 808 O GLU A 388 67.975 9.520 3.341 1.00 0.00 O ATOM 809 CB GLU A 388 69.288 8.995 0.415 1.00 0.00 C ATOM 810 CG GLU A 388 70.376 8.963 -0.622 1.00 0.00 C ATOM 811 CD GLU A 388 69.844 9.273 -1.987 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.655 8.998 -2.252 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.596 9.813 -2.833 1.00 0.00 O ATOM 0 H GLU A 388 70.678 7.153 1.160 1.00 0.00 H new ATOM 0 HA GLU A 388 70.244 9.789 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.590 8.184 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.735 9.928 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 388 71.151 9.684 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.845 7.979 -0.628 1.00 0.00 H new ATOM 820 N HIS A 389 68.058 7.345 2.676 1.00 0.00 N ATOM 821 CA HIS A 389 66.926 6.922 3.457 1.00 0.00 C ATOM 822 C HIS A 389 67.148 7.201 4.881 1.00 0.00 C ATOM 823 O HIS A 389 66.332 7.777 5.474 1.00 0.00 O ATOM 824 CB HIS A 389 66.575 5.461 3.250 1.00 0.00 C ATOM 825 CG HIS A 389 65.407 5.046 4.045 1.00 0.00 C ATOM 826 ND1 HIS A 389 64.196 5.637 3.959 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.332 4.182 5.039 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.435 5.162 4.884 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.083 4.265 5.546 1.00 0.00 N ATOM 0 H HIS A 389 68.482 6.602 2.121 1.00 0.00 H new ATOM 0 HA HIS A 389 66.072 7.501 3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.373 5.285 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.432 4.843 3.518 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.928 6.344 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.122 3.530 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.417 5.467 5.075 1.00 0.00 H new ATOM 838 N LYS A 390 68.243 6.782 5.413 1.00 0.00 N ATOM 839 CA LYS A 390 68.552 7.033 6.791 1.00 0.00 C ATOM 840 C LYS A 390 68.755 8.485 7.094 1.00 0.00 C ATOM 841 O LYS A 390 68.602 8.919 8.193 1.00 0.00 O ATOM 842 CB LYS A 390 69.676 6.182 7.236 1.00 0.00 C ATOM 843 CG LYS A 390 69.409 4.729 6.898 1.00 0.00 C ATOM 844 CD LYS A 390 68.106 4.215 7.522 1.00 0.00 C ATOM 845 CE LYS A 390 68.294 3.954 8.995 1.00 0.00 C ATOM 846 NZ LYS A 390 69.462 3.074 9.319 1.00 0.00 N ATOM 0 H LYS A 390 68.956 6.254 4.910 1.00 0.00 H new ATOM 0 HA LYS A 390 67.678 6.751 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.599 6.509 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.819 6.291 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.361 4.613 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.242 4.118 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.312 4.947 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.792 3.299 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.418 4.907 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.387 3.495 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.355 2.695 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.503 2.287 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.340 3.628 9.261 1.00 0.00 H new ATOM 860 N ASN A 391 69.132 9.228 6.161 1.00 0.00 N ATOM 861 CA ASN A 391 69.229 10.631 6.430 1.00 0.00 C ATOM 862 C ASN A 391 67.808 11.254 6.600 1.00 0.00 C ATOM 863 O ASN A 391 67.632 12.238 7.323 1.00 0.00 O ATOM 864 CB ASN A 391 70.075 11.356 5.376 1.00 0.00 C ATOM 865 CG ASN A 391 71.558 11.437 5.691 1.00 0.00 C ATOM 866 OD1 ASN A 391 72.021 12.391 6.307 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.314 10.445 5.293 1.00 0.00 N ATOM 0 H ASN A 391 69.380 8.929 5.218 1.00 0.00 H new ATOM 0 HA ASN A 391 69.755 10.764 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.949 10.850 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.689 12.368 5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.314 10.454 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.903 9.664 4.782 1.00 0.00 H new ATOM 874 N LYS A 392 66.820 10.682 5.923 1.00 0.00 N ATOM 875 CA LYS A 392 65.450 11.090 6.078 1.00 0.00 C ATOM 876 C LYS A 392 64.756 10.254 7.185 1.00 0.00 C ATOM 877 O LYS A 392 64.407 10.748 8.246 1.00 0.00 O ATOM 878 CB LYS A 392 64.729 10.867 4.774 1.00 0.00 C ATOM 879 CG LYS A 392 63.411 11.582 4.721 1.00 0.00 C ATOM 880 CD LYS A 392 62.718 11.361 3.418 1.00 0.00 C ATOM 881 CE LYS A 392 62.268 9.915 3.266 1.00 0.00 C ATOM 882 NZ LYS A 392 61.581 9.657 1.986 1.00 0.00 N ATOM 0 H LYS A 392 66.957 9.924 5.254 1.00 0.00 H new ATOM 0 HA LYS A 392 65.421 12.143 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 392 65.358 11.208 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.566 9.799 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.775 11.235 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 392 63.569 12.650 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.854 12.022 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.388 11.623 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 392 63.136 9.260 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.600 9.660 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 61.298 8.657 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.736 10.259 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 62.224 9.872 1.197 1.00 0.00 H new ATOM 896 N THR A 393 64.634 8.971 6.916 1.00 0.00 N ATOM 897 CA THR A 393 63.985 8.013 7.747 1.00 0.00 C ATOM 898 C THR A 393 64.995 6.973 8.266 1.00 0.00 C ATOM 899 O THR A 393 65.158 5.860 7.764 1.00 0.00 O ATOM 900 CB THR A 393 62.926 7.302 6.986 1.00 0.00 C ATOM 901 OG1 THR A 393 62.040 8.257 6.362 1.00 0.00 O ATOM 902 CG2 THR A 393 62.149 6.353 7.886 1.00 0.00 C ATOM 0 H THR A 393 65.010 8.559 6.062 1.00 0.00 H new ATOM 0 HA THR A 393 63.543 8.547 8.588 1.00 0.00 H new ATOM 0 HB THR A 393 63.402 6.705 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.346 7.780 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.380 5.846 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.829 5.614 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.680 6.918 8.691 1.00 0.00 H new ATOM 910 N ARG A 394 65.744 7.457 9.102 1.00 0.00 N ATOM 911 CA ARG A 394 66.681 6.755 9.922 1.00 0.00 C ATOM 912 C ARG A 394 66.017 5.824 10.962 1.00 0.00 C ATOM 913 O ARG A 394 66.704 5.177 11.741 1.00 0.00 O ATOM 914 CB ARG A 394 67.715 7.722 10.512 1.00 0.00 C ATOM 915 CG ARG A 394 67.183 8.851 11.319 1.00 0.00 C ATOM 916 CD ARG A 394 68.288 9.605 12.012 1.00 0.00 C ATOM 917 NE ARG A 394 69.376 10.026 11.122 1.00 0.00 N ATOM 918 CZ ARG A 394 70.481 10.669 11.553 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.597 11.000 12.841 1.00 0.00 N ATOM 920 NH2 ARG A 394 71.454 10.971 10.709 1.00 0.00 N ATOM 0 H ARG A 394 65.754 8.460 9.286 1.00 0.00 H new ATOM 0 HA ARG A 394 67.227 6.065 9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.400 7.149 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.302 8.136 9.692 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.627 9.531 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.481 8.470 12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 394 67.865 10.487 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.701 8.978 12.802 1.00 0.00 H new ATOM 0 HE ARG A 394 69.293 9.822 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 394 69.851 10.767 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.431 11.486 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 394 71.372 10.718 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 394 72.286 11.457 11.043 1.00 0.00 H new