USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 LYS N :NH3+ -129:sc= -0.171 (180deg=-0.809) USER MOD Single : A 1 LYS NZ :NH3+ -132:sc= 0.465 (180deg=-0.00463) USER MOD Single : A 2 SER OG : rot -87:sc= 1.29 USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 0.383 (180deg=-0.189) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.027) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0344 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0499) USER MOD Single : A 21 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 22 GLN : amide:sc= 2.09 K(o=2.1,f=-0.62) USER MOD Single : A 24 SER OG : rot 101:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0.967 (180deg=0.967) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0822) USER MOD Single : A 33 GLN : amide:sc= 0.745 K(o=0.74,f=-0.062) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 38 SER OG : rot 180:sc= 0.145 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0.698 (180deg=0.698) USER MOD Single : A 44 SER OG : rot 73:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0115) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.247 F(o=-1.3!,f=-0.25) USER MOD Single : A 62 SER OG : rot 180:sc= 0.593 USER MOD Single : A 67 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0816) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.182 (180deg=-0.319) USER MOD Single : A 74 SER OG : rot 78:sc= 1.2 USER MOD Single : A 75 GLN : amide:sc= -0.0712 X(o=-0.071,f=0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.439 -12.110 1.509 1.00 2.74 N ATOM 2 CA LYS A 1 5.658 -12.386 2.246 1.00 2.74 C ATOM 3 C LYS A 1 5.431 -11.979 3.708 1.00 2.74 C ATOM 4 O LYS A 1 4.336 -11.529 4.049 1.00 2.74 O ATOM 5 CB LYS A 1 6.832 -11.641 1.599 1.00 2.74 C ATOM 6 CG LYS A 1 6.956 -11.932 0.097 1.00 2.74 C ATOM 7 CD LYS A 1 8.249 -11.307 -0.444 1.00 2.74 C ATOM 8 CE LYS A 1 8.442 -11.545 -1.947 1.00 2.74 C ATOM 9 NZ LYS A 1 7.465 -10.799 -2.761 1.00 2.74 N ATOM 0 H1 LYS A 1 4.159 -12.956 0.973 1.00 2.74 H new ATOM 0 H2 LYS A 1 3.681 -11.855 2.174 1.00 2.74 H new ATOM 0 H3 LYS A 1 4.602 -11.321 0.851 1.00 2.74 H new ATOM 0 HA LYS A 1 5.909 -13.446 2.220 1.00 2.74 H new ATOM 0 HB2 LYS A 1 6.705 -10.569 1.749 1.00 2.74 H new ATOM 0 HB3 LYS A 1 7.758 -11.925 2.099 1.00 2.74 H new ATOM 0 HG2 LYS A 1 6.960 -13.008 -0.076 1.00 2.74 H new ATOM 0 HG3 LYS A 1 6.095 -11.527 -0.434 1.00 2.74 H new ATOM 0 HD2 LYS A 1 8.238 -10.235 -0.249 1.00 2.74 H new ATOM 0 HD3 LYS A 1 9.101 -11.720 0.097 1.00 2.74 H new ATOM 0 HE2 LYS A 1 9.451 -11.249 -2.233 1.00 2.74 H new ATOM 0 HE3 LYS A 1 8.350 -12.610 -2.159 1.00 2.74 H new ATOM 0 HZ1 LYS A 1 7.044 -11.435 -3.468 1.00 2.74 H new ATOM 0 HZ2 LYS A 1 6.716 -10.422 -2.146 1.00 2.74 H new ATOM 0 HZ3 LYS A 1 7.944 -10.013 -3.244 1.00 2.74 H new ATOM 23 N SER A 2 6.432 -12.136 4.582 1.00 1.01 N ATOM 24 CA SER A 2 6.273 -11.741 5.980 1.00 1.01 C ATOM 25 C SER A 2 6.048 -10.226 6.082 1.00 1.01 C ATOM 26 O SER A 2 6.552 -9.492 5.232 1.00 1.01 O ATOM 27 CB SER A 2 7.514 -12.136 6.791 1.00 1.01 C ATOM 28 OG SER A 2 8.643 -11.415 6.338 1.00 1.01 O ATOM 0 H SER A 2 7.345 -12.527 4.349 1.00 1.01 H new ATOM 0 HA SER A 2 5.404 -12.258 6.387 1.00 1.01 H new ATOM 0 HB2 SER A 2 7.345 -11.935 7.849 1.00 1.01 H new ATOM 0 HB3 SER A 2 7.695 -13.207 6.695 1.00 1.01 H new ATOM 0 HG SER A 2 9.057 -11.893 5.589 1.00 1.01 H new ATOM 34 N PRO A 3 5.369 -9.731 7.131 1.00 0.62 N ATOM 35 CA PRO A 3 5.296 -8.308 7.434 1.00 0.62 C ATOM 36 C PRO A 3 6.655 -7.614 7.297 1.00 0.62 C ATOM 37 O PRO A 3 6.750 -6.548 6.698 1.00 0.62 O ATOM 38 CB PRO A 3 4.759 -8.229 8.865 1.00 0.62 C ATOM 39 CG PRO A 3 3.862 -9.463 8.946 1.00 0.62 C ATOM 40 CD PRO A 3 4.634 -10.498 8.126 1.00 0.62 C ATOM 0 HA PRO A 3 4.648 -7.786 6.730 1.00 0.62 H new ATOM 0 HB2 PRO A 3 5.561 -8.260 9.602 1.00 0.62 H new ATOM 0 HB3 PRO A 3 4.201 -7.309 9.040 1.00 0.62 H new ATOM 0 HG2 PRO A 3 3.716 -9.790 9.976 1.00 0.62 H new ATOM 0 HG3 PRO A 3 2.873 -9.272 8.529 1.00 0.62 H new ATOM 0 HD2 PRO A 3 5.311 -11.074 8.757 1.00 0.62 H new ATOM 0 HD3 PRO A 3 3.957 -11.209 7.653 1.00 0.62 H new ATOM 48 N GLU A 4 7.710 -8.239 7.833 1.00 0.56 N ATOM 49 CA GLU A 4 9.075 -7.743 7.749 1.00 0.56 C ATOM 50 C GLU A 4 9.508 -7.568 6.289 1.00 0.56 C ATOM 51 O GLU A 4 9.947 -6.487 5.897 1.00 0.56 O ATOM 52 CB GLU A 4 10.015 -8.706 8.488 1.00 0.56 C ATOM 53 CG GLU A 4 9.683 -8.795 9.983 1.00 0.56 C ATOM 54 CD GLU A 4 10.610 -9.776 10.689 1.00 0.56 C ATOM 55 OE1 GLU A 4 10.244 -10.971 10.726 1.00 0.56 O ATOM 56 OE2 GLU A 4 11.668 -9.317 11.168 1.00 0.56 O ATOM 0 H GLU A 4 7.630 -9.118 8.344 1.00 0.56 H new ATOM 0 HA GLU A 4 9.125 -6.763 8.223 1.00 0.56 H new ATOM 0 HB2 GLU A 4 9.944 -9.697 8.041 1.00 0.56 H new ATOM 0 HB3 GLU A 4 11.046 -8.374 8.364 1.00 0.56 H new ATOM 0 HG2 GLU A 4 9.775 -7.809 10.439 1.00 0.56 H new ATOM 0 HG3 GLU A 4 8.648 -9.110 10.111 1.00 0.56 H new ATOM 63 N GLU A 5 9.390 -8.630 5.484 1.00 0.47 N ATOM 64 CA GLU A 5 9.725 -8.566 4.066 1.00 0.47 C ATOM 65 C GLU A 5 8.916 -7.471 3.373 1.00 0.47 C ATOM 66 O GLU A 5 9.481 -6.640 2.666 1.00 0.47 O ATOM 67 CB GLU A 5 9.478 -9.924 3.402 1.00 0.47 C ATOM 68 CG GLU A 5 10.554 -10.946 3.787 1.00 0.47 C ATOM 69 CD GLU A 5 10.121 -12.356 3.402 1.00 0.47 C ATOM 70 OE1 GLU A 5 9.179 -12.846 4.066 1.00 0.47 O ATOM 71 OE2 GLU A 5 10.707 -12.900 2.443 1.00 0.47 O ATOM 0 H GLU A 5 9.064 -9.545 5.796 1.00 0.47 H new ATOM 0 HA GLU A 5 10.782 -8.320 3.968 1.00 0.47 H new ATOM 0 HB2 GLU A 5 8.498 -10.300 3.695 1.00 0.47 H new ATOM 0 HB3 GLU A 5 9.462 -9.802 2.319 1.00 0.47 H new ATOM 0 HG2 GLU A 5 11.492 -10.699 3.289 1.00 0.47 H new ATOM 0 HG3 GLU A 5 10.741 -10.898 4.860 1.00 0.47 H new ATOM 78 N LEU A 6 7.596 -7.469 3.561 1.00 0.35 N ATOM 79 CA LEU A 6 6.713 -6.505 2.924 1.00 0.35 C ATOM 80 C LEU A 6 7.092 -5.078 3.314 1.00 0.35 C ATOM 81 O LEU A 6 7.118 -4.195 2.460 1.00 0.35 O ATOM 82 CB LEU A 6 5.250 -6.815 3.264 1.00 0.35 C ATOM 83 CG LEU A 6 4.780 -8.182 2.736 1.00 0.35 C ATOM 84 CD1 LEU A 6 3.320 -8.392 3.149 1.00 0.35 C ATOM 85 CD2 LEU A 6 4.934 -8.311 1.216 1.00 0.35 C ATOM 0 H LEU A 6 7.113 -8.138 4.161 1.00 0.35 H new ATOM 0 HA LEU A 6 6.829 -6.587 1.843 1.00 0.35 H new ATOM 0 HB2 LEU A 6 5.122 -6.787 4.346 1.00 0.35 H new ATOM 0 HB3 LEU A 6 4.614 -6.034 2.848 1.00 0.35 H new ATOM 0 HG LEU A 6 5.413 -8.954 3.174 1.00 0.35 H new ATOM 0 HD11 LEU A 6 2.973 -9.358 2.781 1.00 0.35 H new ATOM 0 HD12 LEU A 6 3.242 -8.368 4.236 1.00 0.35 H new ATOM 0 HD13 LEU A 6 2.704 -7.599 2.724 1.00 0.35 H new ATOM 0 HD21 LEU A 6 4.588 -9.294 0.897 1.00 0.35 H new ATOM 0 HD22 LEU A 6 4.341 -7.540 0.724 1.00 0.35 H new ATOM 0 HD23 LEU A 6 5.983 -8.190 0.945 1.00 0.35 H new ATOM 97 N LYS A 7 7.399 -4.847 4.590 1.00 0.34 N ATOM 98 CA LYS A 7 7.893 -3.568 5.068 1.00 0.34 C ATOM 99 C LYS A 7 9.180 -3.201 4.329 1.00 0.34 C ATOM 100 O LYS A 7 9.240 -2.159 3.685 1.00 0.34 O ATOM 101 CB LYS A 7 8.083 -3.640 6.585 1.00 0.34 C ATOM 102 CG LYS A 7 8.547 -2.295 7.151 1.00 0.34 C ATOM 103 CD LYS A 7 8.988 -2.442 8.611 1.00 0.34 C ATOM 104 CE LYS A 7 7.836 -2.783 9.567 1.00 0.34 C ATOM 105 NZ LYS A 7 6.744 -1.796 9.493 1.00 0.34 N ATOM 0 H LYS A 7 7.309 -5.551 5.322 1.00 0.34 H new ATOM 0 HA LYS A 7 7.173 -2.776 4.862 1.00 0.34 H new ATOM 0 HB2 LYS A 7 7.145 -3.932 7.058 1.00 0.34 H new ATOM 0 HB3 LYS A 7 8.815 -4.411 6.826 1.00 0.34 H new ATOM 0 HG2 LYS A 7 9.373 -1.910 6.554 1.00 0.34 H new ATOM 0 HG3 LYS A 7 7.738 -1.568 7.082 1.00 0.34 H new ATOM 0 HD2 LYS A 7 9.747 -3.222 8.676 1.00 0.34 H new ATOM 0 HD3 LYS A 7 9.457 -1.513 8.936 1.00 0.34 H new ATOM 0 HE2 LYS A 7 7.447 -3.772 9.327 1.00 0.34 H new ATOM 0 HE3 LYS A 7 8.214 -2.829 10.588 1.00 0.34 H new ATOM 0 HZ1 LYS A 7 6.347 -1.646 10.442 1.00 0.34 H new ATOM 0 HZ2 LYS A 7 7.114 -0.896 9.126 1.00 0.34 H new ATOM 0 HZ3 LYS A 7 6.000 -2.149 8.858 1.00 0.34 H new ATOM 119 N GLY A 8 10.207 -4.047 4.423 1.00 0.35 N ATOM 120 CA GLY A 8 11.472 -3.850 3.723 1.00 0.35 C ATOM 121 C GLY A 8 11.268 -3.482 2.250 1.00 0.35 C ATOM 122 O GLY A 8 11.795 -2.479 1.772 1.00 0.35 O ATOM 0 H GLY A 8 10.182 -4.893 4.992 1.00 0.35 H new ATOM 0 HA2 GLY A 8 12.040 -3.062 4.217 1.00 0.35 H new ATOM 0 HA3 GLY A 8 12.067 -4.761 3.789 1.00 0.35 H new ATOM 126 N ILE A 9 10.487 -4.286 1.527 1.00 0.36 N ATOM 127 CA ILE A 9 10.162 -4.065 0.124 1.00 0.36 C ATOM 128 C ILE A 9 9.490 -2.701 -0.053 1.00 0.36 C ATOM 129 O ILE A 9 9.931 -1.885 -0.861 1.00 0.36 O ATOM 130 CB ILE A 9 9.287 -5.227 -0.382 1.00 0.36 C ATOM 131 CG1 ILE A 9 10.149 -6.494 -0.521 1.00 0.36 C ATOM 132 CG2 ILE A 9 8.634 -4.881 -1.727 1.00 0.36 C ATOM 133 CD1 ILE A 9 9.308 -7.771 -0.537 1.00 0.36 C ATOM 0 H ILE A 9 10.055 -5.126 1.912 1.00 0.36 H new ATOM 0 HA ILE A 9 11.071 -4.047 -0.477 1.00 0.36 H new ATOM 0 HB ILE A 9 8.491 -5.404 0.341 1.00 0.36 H new ATOM 0 HG12 ILE A 9 10.732 -6.435 -1.440 1.00 0.36 H new ATOM 0 HG13 ILE A 9 10.859 -6.540 0.305 1.00 0.36 H new ATOM 0 HG21 ILE A 9 8.022 -5.719 -2.061 1.00 0.36 H new ATOM 0 HG22 ILE A 9 8.007 -3.997 -1.610 1.00 0.36 H new ATOM 0 HG23 ILE A 9 9.409 -4.680 -2.467 1.00 0.36 H new ATOM 0 HD11 ILE A 9 9.963 -8.637 -0.637 1.00 0.36 H new ATOM 0 HD12 ILE A 9 8.745 -7.847 0.393 1.00 0.36 H new ATOM 0 HD13 ILE A 9 8.616 -7.740 -1.379 1.00 0.36 H new ATOM 145 N PHE A 10 8.420 -2.451 0.702 1.00 0.36 N ATOM 146 CA PHE A 10 7.710 -1.183 0.676 1.00 0.36 C ATOM 147 C PHE A 10 8.702 -0.027 0.801 1.00 0.36 C ATOM 148 O PHE A 10 8.724 0.864 -0.043 1.00 0.36 O ATOM 149 CB PHE A 10 6.652 -1.165 1.784 1.00 0.36 C ATOM 150 CG PHE A 10 5.899 0.141 1.897 1.00 0.36 C ATOM 151 CD1 PHE A 10 6.447 1.209 2.630 1.00 0.36 C ATOM 152 CD2 PHE A 10 4.678 0.309 1.223 1.00 0.36 C ATOM 153 CE1 PHE A 10 5.810 2.458 2.630 1.00 0.36 C ATOM 154 CE2 PHE A 10 4.002 1.538 1.286 1.00 0.36 C ATOM 155 CZ PHE A 10 4.580 2.617 1.972 1.00 0.36 C ATOM 0 H PHE A 10 8.023 -3.130 1.351 1.00 0.36 H new ATOM 0 HA PHE A 10 7.193 -1.062 -0.276 1.00 0.36 H new ATOM 0 HB2 PHE A 10 5.938 -1.969 1.603 1.00 0.36 H new ATOM 0 HB3 PHE A 10 7.136 -1.377 2.737 1.00 0.36 H new ATOM 0 HD1 PHE A 10 7.358 1.067 3.193 1.00 0.36 H new ATOM 0 HD2 PHE A 10 4.259 -0.509 0.655 1.00 0.36 H new ATOM 0 HE1 PHE A 10 6.265 3.297 3.136 1.00 0.36 H new ATOM 0 HE2 PHE A 10 3.040 1.652 0.808 1.00 0.36 H new ATOM 0 HZ PHE A 10 4.077 3.573 1.994 1.00 0.36 H new ATOM 165 N GLU A 11 9.546 -0.067 1.834 1.00 0.44 N ATOM 166 CA GLU A 11 10.576 0.927 2.081 1.00 0.44 C ATOM 167 C GLU A 11 11.522 1.049 0.884 1.00 0.44 C ATOM 168 O GLU A 11 11.824 2.162 0.465 1.00 0.44 O ATOM 169 CB GLU A 11 11.329 0.587 3.373 1.00 0.44 C ATOM 170 CG GLU A 11 10.424 0.786 4.600 1.00 0.44 C ATOM 171 CD GLU A 11 11.064 0.310 5.903 1.00 0.44 C ATOM 172 OE1 GLU A 11 12.148 -0.308 5.831 1.00 0.44 O ATOM 173 OE2 GLU A 11 10.439 0.561 6.956 1.00 0.44 O ATOM 0 H GLU A 11 9.527 -0.810 2.533 1.00 0.44 H new ATOM 0 HA GLU A 11 10.104 1.901 2.210 1.00 0.44 H new ATOM 0 HB2 GLU A 11 11.677 -0.445 3.336 1.00 0.44 H new ATOM 0 HB3 GLU A 11 12.213 1.218 3.461 1.00 0.44 H new ATOM 0 HG2 GLU A 11 10.173 1.843 4.691 1.00 0.44 H new ATOM 0 HG3 GLU A 11 9.489 0.248 4.445 1.00 0.44 H new ATOM 180 N LYS A 12 11.989 -0.073 0.326 1.00 0.46 N ATOM 181 CA LYS A 12 12.884 -0.079 -0.825 1.00 0.46 C ATOM 182 C LYS A 12 12.327 0.790 -1.956 1.00 0.46 C ATOM 183 O LYS A 12 13.053 1.609 -2.515 1.00 0.46 O ATOM 184 CB LYS A 12 13.178 -1.525 -1.266 1.00 0.46 C ATOM 185 CG LYS A 12 14.080 -1.624 -2.508 1.00 0.46 C ATOM 186 CD LYS A 12 13.277 -1.891 -3.787 1.00 0.46 C ATOM 187 CE LYS A 12 14.160 -1.805 -5.038 1.00 0.46 C ATOM 188 NZ LYS A 12 15.223 -2.825 -5.038 1.00 0.46 N ATOM 0 H LYS A 12 11.752 -1.005 0.666 1.00 0.46 H new ATOM 0 HA LYS A 12 13.837 0.366 -0.540 1.00 0.46 H new ATOM 0 HB2 LYS A 12 13.652 -2.057 -0.441 1.00 0.46 H new ATOM 0 HB3 LYS A 12 12.235 -2.031 -1.472 1.00 0.46 H new ATOM 0 HG2 LYS A 12 14.643 -0.697 -2.621 1.00 0.46 H new ATOM 0 HG3 LYS A 12 14.807 -2.423 -2.364 1.00 0.46 H new ATOM 0 HD2 LYS A 12 12.821 -2.879 -3.731 1.00 0.46 H new ATOM 0 HD3 LYS A 12 12.465 -1.169 -3.864 1.00 0.46 H new ATOM 0 HE2 LYS A 12 13.541 -1.927 -5.927 1.00 0.46 H new ATOM 0 HE3 LYS A 12 14.610 -0.814 -5.096 1.00 0.46 H new ATOM 0 HZ1 LYS A 12 15.753 -2.774 -5.932 1.00 0.46 H new ATOM 0 HZ2 LYS A 12 15.870 -2.653 -4.242 1.00 0.46 H new ATOM 0 HZ3 LYS A 12 14.798 -3.769 -4.941 1.00 0.46 H new ATOM 202 N TYR A 13 11.044 0.627 -2.294 1.00 0.35 N ATOM 203 CA TYR A 13 10.433 1.453 -3.329 1.00 0.35 C ATOM 204 C TYR A 13 10.175 2.874 -2.802 1.00 0.35 C ATOM 205 O TYR A 13 10.629 3.850 -3.396 1.00 0.35 O ATOM 206 CB TYR A 13 9.178 0.766 -3.895 1.00 0.35 C ATOM 207 CG TYR A 13 9.494 -0.458 -4.744 1.00 0.35 C ATOM 208 CD1 TYR A 13 9.832 -0.306 -6.104 1.00 0.35 C ATOM 209 CD2 TYR A 13 9.610 -1.728 -4.149 1.00 0.35 C ATOM 210 CE1 TYR A 13 10.447 -1.361 -6.798 1.00 0.35 C ATOM 211 CE2 TYR A 13 10.237 -2.778 -4.838 1.00 0.35 C ATOM 212 CZ TYR A 13 10.696 -2.579 -6.147 1.00 0.35 C ATOM 213 OH TYR A 13 11.423 -3.551 -6.765 1.00 0.35 O ATOM 0 H TYR A 13 10.420 -0.060 -1.871 1.00 0.35 H new ATOM 0 HA TYR A 13 11.123 1.561 -4.166 1.00 0.35 H new ATOM 0 HB2 TYR A 13 8.531 0.470 -3.070 1.00 0.35 H new ATOM 0 HB3 TYR A 13 8.620 1.483 -4.497 1.00 0.35 H new ATOM 0 HD1 TYR A 13 9.618 0.622 -6.613 1.00 0.35 H new ATOM 0 HD2 TYR A 13 9.215 -1.896 -3.158 1.00 0.35 H new ATOM 0 HE1 TYR A 13 10.728 -1.235 -7.833 1.00 0.35 H new ATOM 0 HE2 TYR A 13 10.365 -3.738 -4.360 1.00 0.35 H new ATOM 0 HH TYR A 13 11.501 -4.328 -6.173 1.00 0.35 H new ATOM 223 N ALA A 14 9.473 2.995 -1.673 1.00 0.38 N ATOM 224 CA ALA A 14 9.044 4.258 -1.073 1.00 0.38 C ATOM 225 C ALA A 14 10.201 5.226 -0.812 1.00 0.38 C ATOM 226 O ALA A 14 10.021 6.441 -0.849 1.00 0.38 O ATOM 227 CB ALA A 14 8.290 3.955 0.225 1.00 0.38 C ATOM 0 H ALA A 14 9.177 2.183 -1.131 1.00 0.38 H new ATOM 0 HA ALA A 14 8.391 4.761 -1.786 1.00 0.38 H new ATOM 0 HB1 ALA A 14 7.964 4.889 0.683 1.00 0.38 H new ATOM 0 HB2 ALA A 14 7.420 3.336 0.005 1.00 0.38 H new ATOM 0 HB3 ALA A 14 8.948 3.424 0.913 1.00 0.38 H new ATOM 233 N ALA A 15 11.393 4.700 -0.525 1.00 0.55 N ATOM 234 CA ALA A 15 12.582 5.509 -0.315 1.00 0.55 C ATOM 235 C ALA A 15 12.984 6.273 -1.580 1.00 0.55 C ATOM 236 O ALA A 15 13.614 7.321 -1.471 1.00 0.55 O ATOM 237 CB ALA A 15 13.732 4.615 0.157 1.00 0.55 C ATOM 0 H ALA A 15 11.555 3.697 -0.433 1.00 0.55 H new ATOM 0 HA ALA A 15 12.356 6.251 0.451 1.00 0.55 H new ATOM 0 HB1 ALA A 15 14.624 5.222 0.314 1.00 0.55 H new ATOM 0 HB2 ALA A 15 13.454 4.128 1.092 1.00 0.55 H new ATOM 0 HB3 ALA A 15 13.938 3.857 -0.599 1.00 0.55 H new ATOM 243 N LYS A 16 12.674 5.745 -2.770 1.00 1.10 N ATOM 244 CA LYS A 16 13.152 6.328 -4.014 1.00 1.10 C ATOM 245 C LYS A 16 12.445 7.661 -4.287 1.00 1.10 C ATOM 246 O LYS A 16 13.104 8.694 -4.395 1.00 1.10 O ATOM 247 CB LYS A 16 12.982 5.325 -5.164 1.00 1.10 C ATOM 248 CG LYS A 16 13.770 5.773 -6.405 1.00 1.10 C ATOM 249 CD LYS A 16 13.355 5.033 -7.683 1.00 1.10 C ATOM 250 CE LYS A 16 11.882 5.287 -8.033 1.00 1.10 C ATOM 251 NZ LYS A 16 11.613 5.060 -9.462 1.00 1.10 N ATOM 0 H LYS A 16 12.094 4.915 -2.890 1.00 1.10 H new ATOM 0 HA LYS A 16 14.217 6.546 -3.929 1.00 1.10 H new ATOM 0 HB2 LYS A 16 13.325 4.340 -4.847 1.00 1.10 H new ATOM 0 HB3 LYS A 16 11.926 5.229 -5.415 1.00 1.10 H new ATOM 0 HG2 LYS A 16 13.628 6.844 -6.551 1.00 1.10 H new ATOM 0 HG3 LYS A 16 14.834 5.613 -6.229 1.00 1.10 H new ATOM 0 HD2 LYS A 16 13.987 5.355 -8.511 1.00 1.10 H new ATOM 0 HD3 LYS A 16 13.519 3.963 -7.554 1.00 1.10 H new ATOM 0 HE2 LYS A 16 11.248 4.632 -7.435 1.00 1.10 H new ATOM 0 HE3 LYS A 16 11.618 6.312 -7.772 1.00 1.10 H new ATOM 0 HZ1 LYS A 16 10.594 5.159 -9.643 1.00 1.10 H new ATOM 0 HZ2 LYS A 16 12.135 5.759 -10.029 1.00 1.10 H new ATOM 0 HZ3 LYS A 16 11.920 4.102 -9.725 1.00 1.10 H new ATOM 265 N GLU A 17 11.117 7.637 -4.441 1.00 1.30 N ATOM 266 CA GLU A 17 10.294 8.818 -4.681 1.00 1.30 C ATOM 267 C GLU A 17 8.950 8.642 -3.968 1.00 1.30 C ATOM 268 O GLU A 17 8.719 7.636 -3.301 1.00 1.30 O ATOM 269 CB GLU A 17 10.084 9.040 -6.190 1.00 1.30 C ATOM 270 CG GLU A 17 11.382 9.344 -6.948 1.00 1.30 C ATOM 271 CD GLU A 17 11.115 9.574 -8.431 1.00 1.30 C ATOM 272 OE1 GLU A 17 10.612 10.672 -8.753 1.00 1.30 O ATOM 273 OE2 GLU A 17 11.405 8.642 -9.213 1.00 1.30 O ATOM 0 H GLU A 17 10.576 6.773 -4.401 1.00 1.30 H new ATOM 0 HA GLU A 17 10.802 9.698 -4.286 1.00 1.30 H new ATOM 0 HB2 GLU A 17 9.621 8.151 -6.619 1.00 1.30 H new ATOM 0 HB3 GLU A 17 9.386 9.865 -6.335 1.00 1.30 H new ATOM 0 HG2 GLU A 17 11.857 10.227 -6.520 1.00 1.30 H new ATOM 0 HG3 GLU A 17 12.080 8.516 -6.826 1.00 1.30 H new ATOM 280 N GLY A 18 8.055 9.619 -4.124 1.00 1.70 N ATOM 281 CA GLY A 18 6.792 9.654 -3.409 1.00 1.70 C ATOM 282 C GLY A 18 7.072 10.143 -1.995 1.00 1.70 C ATOM 283 O GLY A 18 7.333 11.327 -1.799 1.00 1.70 O ATOM 0 H GLY A 18 8.193 10.409 -4.754 1.00 1.70 H new ATOM 0 HA2 GLY A 18 6.087 10.318 -3.910 1.00 1.70 H new ATOM 0 HA3 GLY A 18 6.337 8.664 -3.388 1.00 1.70 H new ATOM 287 N ASP A 19 7.053 9.236 -1.018 1.00 1.15 N ATOM 288 CA ASP A 19 7.317 9.540 0.375 1.00 1.15 C ATOM 289 C ASP A 19 7.785 8.254 1.063 1.00 1.15 C ATOM 290 O ASP A 19 7.183 7.209 0.828 1.00 1.15 O ATOM 291 CB ASP A 19 6.010 10.045 0.990 1.00 1.15 C ATOM 292 CG ASP A 19 6.119 10.282 2.488 1.00 1.15 C ATOM 293 OD1 ASP A 19 5.992 9.280 3.226 1.00 1.15 O ATOM 294 OD2 ASP A 19 6.352 11.448 2.870 1.00 1.15 O ATOM 0 H ASP A 19 6.849 8.251 -1.184 1.00 1.15 H new ATOM 0 HA ASP A 19 8.089 10.300 0.491 1.00 1.15 H new ATOM 0 HB2 ASP A 19 5.718 10.974 0.500 1.00 1.15 H new ATOM 0 HB3 ASP A 19 5.219 9.320 0.798 1.00 1.15 H new ATOM 299 N PRO A 20 8.791 8.291 1.950 1.00 1.00 N ATOM 300 CA PRO A 20 9.351 7.091 2.562 1.00 1.00 C ATOM 301 C PRO A 20 8.359 6.288 3.416 1.00 1.00 C ATOM 302 O PRO A 20 8.699 5.197 3.873 1.00 1.00 O ATOM 303 CB PRO A 20 10.557 7.569 3.379 1.00 1.00 C ATOM 304 CG PRO A 20 10.242 9.036 3.664 1.00 1.00 C ATOM 305 CD PRO A 20 9.513 9.472 2.395 1.00 1.00 C ATOM 0 HA PRO A 20 9.633 6.381 1.785 1.00 1.00 H new ATOM 0 HB2 PRO A 20 10.669 6.997 4.300 1.00 1.00 H new ATOM 0 HB3 PRO A 20 11.487 7.460 2.821 1.00 1.00 H new ATOM 0 HG2 PRO A 20 9.618 9.152 4.550 1.00 1.00 H new ATOM 0 HG3 PRO A 20 11.147 9.620 3.833 1.00 1.00 H new ATOM 0 HD2 PRO A 20 8.831 10.299 2.596 1.00 1.00 H new ATOM 0 HD3 PRO A 20 10.215 9.815 1.635 1.00 1.00 H new ATOM 313 N ASN A 21 7.148 6.792 3.679 1.00 0.76 N ATOM 314 CA ASN A 21 6.102 6.053 4.381 1.00 0.76 C ATOM 315 C ASN A 21 4.849 5.896 3.513 1.00 0.76 C ATOM 316 O ASN A 21 3.900 5.247 3.956 1.00 0.76 O ATOM 317 CB ASN A 21 5.772 6.746 5.713 1.00 0.76 C ATOM 318 CG ASN A 21 6.846 6.618 6.798 1.00 0.76 C ATOM 319 OD1 ASN A 21 6.668 7.141 7.891 1.00 0.76 O ATOM 320 ND2 ASN A 21 7.961 5.930 6.550 1.00 0.76 N ATOM 0 H ASN A 21 6.868 7.734 3.406 1.00 0.76 H new ATOM 0 HA ASN A 21 6.473 5.050 4.593 1.00 0.76 H new ATOM 0 HB2 ASN A 21 5.597 7.804 5.520 1.00 0.76 H new ATOM 0 HB3 ASN A 21 4.839 6.334 6.097 1.00 0.76 H new ATOM 0 HD21 ASN A 21 8.674 5.836 7.273 1.00 0.76 H new ATOM 0 HD22 ASN A 21 8.101 5.498 5.637 1.00 0.76 H new ATOM 327 N GLN A 22 4.832 6.445 2.289 1.00 0.50 N ATOM 328 CA GLN A 22 3.693 6.380 1.381 1.00 0.50 C ATOM 329 C GLN A 22 4.165 6.272 -0.072 1.00 0.50 C ATOM 330 O GLN A 22 4.806 7.178 -0.598 1.00 0.50 O ATOM 331 CB GLN A 22 2.771 7.591 1.560 1.00 0.50 C ATOM 332 CG GLN A 22 2.132 7.696 2.950 1.00 0.50 C ATOM 333 CD GLN A 22 0.760 8.360 2.904 1.00 0.50 C ATOM 334 OE1 GLN A 22 -0.169 7.892 3.556 1.00 0.50 O ATOM 335 NE2 GLN A 22 0.603 9.417 2.116 1.00 0.50 N ATOM 0 H GLN A 22 5.627 6.954 1.902 1.00 0.50 H new ATOM 0 HA GLN A 22 3.122 5.485 1.626 1.00 0.50 H new ATOM 0 HB2 GLN A 22 3.341 8.499 1.365 1.00 0.50 H new ATOM 0 HB3 GLN A 22 1.980 7.545 0.812 1.00 0.50 H new ATOM 0 HG2 GLN A 22 2.037 6.699 3.381 1.00 0.50 H new ATOM 0 HG3 GLN A 22 2.788 8.266 3.608 1.00 0.50 H new ATOM 0 HE21 GLN A 22 1.396 9.781 1.587 1.00 0.50 H new ATOM 0 HE22 GLN A 22 -0.310 9.865 2.039 1.00 0.50 H new ATOM 344 N LEU A 23 3.785 5.189 -0.753 1.00 0.37 N ATOM 345 CA LEU A 23 4.124 4.985 -2.151 1.00 0.37 C ATOM 346 C LEU A 23 3.145 5.796 -2.977 1.00 0.37 C ATOM 347 O LEU A 23 1.950 5.513 -2.941 1.00 0.37 O ATOM 348 CB LEU A 23 3.922 3.516 -2.530 1.00 0.37 C ATOM 349 CG LEU A 23 4.946 2.588 -1.886 1.00 0.37 C ATOM 350 CD1 LEU A 23 4.417 1.161 -1.968 1.00 0.37 C ATOM 351 CD2 LEU A 23 6.278 2.630 -2.631 1.00 0.37 C ATOM 0 H LEU A 23 3.234 4.433 -0.346 1.00 0.37 H new ATOM 0 HA LEU A 23 5.160 5.276 -2.325 1.00 0.37 H new ATOM 0 HB2 LEU A 23 2.920 3.204 -2.233 1.00 0.37 H new ATOM 0 HB3 LEU A 23 3.979 3.415 -3.614 1.00 0.37 H new ATOM 0 HG LEU A 23 5.102 2.909 -0.856 1.00 0.37 H new ATOM 0 HD11 LEU A 23 5.136 0.480 -1.512 1.00 0.37 H new ATOM 0 HD12 LEU A 23 3.467 1.094 -1.438 1.00 0.37 H new ATOM 0 HD13 LEU A 23 4.270 0.887 -3.013 1.00 0.37 H new ATOM 0 HD21 LEU A 23 6.987 1.958 -2.147 1.00 0.37 H new ATOM 0 HD22 LEU A 23 6.127 2.316 -3.664 1.00 0.37 H new ATOM 0 HD23 LEU A 23 6.672 3.646 -2.614 1.00 0.37 H new ATOM 363 N SER A 24 3.634 6.781 -3.727 1.00 0.46 N ATOM 364 CA SER A 24 2.803 7.475 -4.693 1.00 0.46 C ATOM 365 C SER A 24 2.440 6.499 -5.816 1.00 0.46 C ATOM 366 O SER A 24 3.140 5.504 -6.004 1.00 0.46 O ATOM 367 CB SER A 24 3.526 8.731 -5.184 1.00 0.46 C ATOM 368 OG SER A 24 4.771 8.393 -5.760 1.00 0.46 O ATOM 0 H SER A 24 4.598 7.111 -3.681 1.00 0.46 H new ATOM 0 HA SER A 24 1.870 7.815 -4.244 1.00 0.46 H new ATOM 0 HB2 SER A 24 2.908 9.250 -5.917 1.00 0.46 H new ATOM 0 HB3 SER A 24 3.678 9.419 -4.352 1.00 0.46 H new ATOM 0 HG SER A 24 4.689 8.390 -6.737 1.00 0.46 H new ATOM 374 N LYS A 25 1.355 6.754 -6.553 1.00 0.57 N ATOM 375 CA LYS A 25 0.861 5.831 -7.575 1.00 0.57 C ATOM 376 C LYS A 25 1.957 5.239 -8.474 1.00 0.57 C ATOM 377 O LYS A 25 1.966 4.035 -8.729 1.00 0.57 O ATOM 378 CB LYS A 25 -0.311 6.434 -8.368 1.00 0.57 C ATOM 379 CG LYS A 25 -0.034 7.677 -9.230 1.00 0.57 C ATOM 380 CD LYS A 25 0.165 8.956 -8.404 1.00 0.57 C ATOM 381 CE LYS A 25 -0.099 10.217 -9.237 1.00 0.57 C ATOM 382 NZ LYS A 25 0.755 10.288 -10.435 1.00 0.57 N ATOM 0 H LYS A 25 0.797 7.603 -6.458 1.00 0.57 H new ATOM 0 HA LYS A 25 0.471 4.970 -7.032 1.00 0.57 H new ATOM 0 HB2 LYS A 25 -0.708 5.656 -9.021 1.00 0.57 H new ATOM 0 HB3 LYS A 25 -1.099 6.688 -7.659 1.00 0.57 H new ATOM 0 HG2 LYS A 25 0.856 7.501 -9.834 1.00 0.57 H new ATOM 0 HG3 LYS A 25 -0.864 7.824 -9.921 1.00 0.57 H new ATOM 0 HD2 LYS A 25 -0.504 8.941 -7.544 1.00 0.57 H new ATOM 0 HD3 LYS A 25 1.183 8.983 -8.015 1.00 0.57 H new ATOM 0 HE2 LYS A 25 -1.146 10.237 -9.539 1.00 0.57 H new ATOM 0 HE3 LYS A 25 0.072 11.099 -8.620 1.00 0.57 H new ATOM 0 HZ1 LYS A 25 0.539 11.157 -10.964 1.00 0.57 H new ATOM 0 HZ2 LYS A 25 1.755 10.296 -10.149 1.00 0.57 H new ATOM 0 HZ3 LYS A 25 0.575 9.461 -11.039 1.00 0.57 H new ATOM 396 N GLU A 26 2.908 6.066 -8.917 1.00 0.57 N ATOM 397 CA GLU A 26 4.038 5.626 -9.725 1.00 0.57 C ATOM 398 C GLU A 26 4.848 4.556 -8.987 1.00 0.57 C ATOM 399 O GLU A 26 5.209 3.529 -9.556 1.00 0.57 O ATOM 400 CB GLU A 26 4.965 6.800 -10.088 1.00 0.57 C ATOM 401 CG GLU A 26 4.245 8.062 -10.592 1.00 0.57 C ATOM 402 CD GLU A 26 3.847 9.029 -9.476 1.00 0.57 C ATOM 403 OE1 GLU A 26 3.806 8.585 -8.306 1.00 0.57 O ATOM 404 OE2 GLU A 26 3.565 10.198 -9.816 1.00 0.57 O ATOM 0 H GLU A 26 2.911 7.067 -8.721 1.00 0.57 H new ATOM 0 HA GLU A 26 3.630 5.206 -10.644 1.00 0.57 H new ATOM 0 HB2 GLU A 26 5.555 7.062 -9.210 1.00 0.57 H new ATOM 0 HB3 GLU A 26 5.665 6.468 -10.855 1.00 0.57 H new ATOM 0 HG2 GLU A 26 4.893 8.582 -11.298 1.00 0.57 H new ATOM 0 HG3 GLU A 26 3.351 7.765 -11.140 1.00 0.57 H new ATOM 411 N GLU A 27 5.148 4.818 -7.715 1.00 0.42 N ATOM 412 CA GLU A 27 5.975 3.962 -6.884 1.00 0.42 C ATOM 413 C GLU A 27 5.223 2.679 -6.556 1.00 0.42 C ATOM 414 O GLU A 27 5.809 1.602 -6.566 1.00 0.42 O ATOM 415 CB GLU A 27 6.363 4.708 -5.604 1.00 0.42 C ATOM 416 CG GLU A 27 7.103 6.018 -5.894 1.00 0.42 C ATOM 417 CD GLU A 27 8.488 5.761 -6.471 1.00 0.42 C ATOM 418 OE1 GLU A 27 9.414 5.575 -5.653 1.00 0.42 O ATOM 419 OE2 GLU A 27 8.600 5.760 -7.716 1.00 0.42 O ATOM 0 H GLU A 27 4.813 5.650 -7.229 1.00 0.42 H new ATOM 0 HA GLU A 27 6.886 3.699 -7.422 1.00 0.42 H new ATOM 0 HB2 GLU A 27 5.465 4.922 -5.025 1.00 0.42 H new ATOM 0 HB3 GLU A 27 6.994 4.066 -4.989 1.00 0.42 H new ATOM 0 HG2 GLU A 27 6.522 6.618 -6.594 1.00 0.42 H new ATOM 0 HG3 GLU A 27 7.192 6.598 -4.975 1.00 0.42 H new ATOM 426 N LEU A 28 3.924 2.789 -6.271 1.00 0.43 N ATOM 427 CA LEU A 28 3.066 1.636 -6.038 1.00 0.43 C ATOM 428 C LEU A 28 3.087 0.739 -7.280 1.00 0.43 C ATOM 429 O LEU A 28 3.373 -0.457 -7.189 1.00 0.43 O ATOM 430 CB LEU A 28 1.664 2.136 -5.652 1.00 0.43 C ATOM 431 CG LEU A 28 0.672 1.081 -5.128 1.00 0.43 C ATOM 432 CD1 LEU A 28 0.111 0.180 -6.230 1.00 0.43 C ATOM 433 CD2 LEU A 28 1.244 0.233 -3.986 1.00 0.43 C ATOM 0 H LEU A 28 3.441 3.684 -6.196 1.00 0.43 H new ATOM 0 HA LEU A 28 3.422 1.024 -5.209 1.00 0.43 H new ATOM 0 HB2 LEU A 28 1.776 2.906 -4.889 1.00 0.43 H new ATOM 0 HB3 LEU A 28 1.221 2.615 -6.525 1.00 0.43 H new ATOM 0 HG LEU A 28 -0.157 1.663 -4.726 1.00 0.43 H new ATOM 0 HD11 LEU A 28 -0.581 -0.541 -5.794 1.00 0.43 H new ATOM 0 HD12 LEU A 28 -0.415 0.789 -6.965 1.00 0.43 H new ATOM 0 HD13 LEU A 28 0.929 -0.351 -6.717 1.00 0.43 H new ATOM 0 HD21 LEU A 28 0.497 -0.491 -3.661 1.00 0.43 H new ATOM 0 HD22 LEU A 28 2.133 -0.294 -4.334 1.00 0.43 H new ATOM 0 HD23 LEU A 28 1.510 0.880 -3.150 1.00 0.43 H new ATOM 445 N LYS A 29 2.833 1.327 -8.454 1.00 0.55 N ATOM 446 CA LYS A 29 2.913 0.610 -9.717 1.00 0.55 C ATOM 447 C LYS A 29 4.290 -0.039 -9.865 1.00 0.55 C ATOM 448 O LYS A 29 4.371 -1.231 -10.146 1.00 0.55 O ATOM 449 CB LYS A 29 2.561 1.551 -10.882 1.00 0.55 C ATOM 450 CG LYS A 29 2.344 0.827 -12.221 1.00 0.55 C ATOM 451 CD LYS A 29 3.642 0.622 -13.022 1.00 0.55 C ATOM 452 CE LYS A 29 3.393 -0.170 -14.313 1.00 0.55 C ATOM 453 NZ LYS A 29 2.492 0.539 -15.239 1.00 0.55 N ATOM 0 H LYS A 29 2.568 2.308 -8.548 1.00 0.55 H new ATOM 0 HA LYS A 29 2.181 -0.198 -9.734 1.00 0.55 H new ATOM 0 HB2 LYS A 29 1.657 2.105 -10.629 1.00 0.55 H new ATOM 0 HB3 LYS A 29 3.361 2.282 -11.000 1.00 0.55 H new ATOM 0 HG2 LYS A 29 1.886 -0.144 -12.031 1.00 0.55 H new ATOM 0 HG3 LYS A 29 1.640 1.399 -12.825 1.00 0.55 H new ATOM 0 HD2 LYS A 29 4.075 1.592 -13.268 1.00 0.55 H new ATOM 0 HD3 LYS A 29 4.370 0.094 -12.406 1.00 0.55 H new ATOM 0 HE2 LYS A 29 4.345 -0.360 -14.809 1.00 0.55 H new ATOM 0 HE3 LYS A 29 2.964 -1.141 -14.064 1.00 0.55 H new ATOM 0 HZ1 LYS A 29 2.460 0.034 -16.148 1.00 0.55 H new ATOM 0 HZ2 LYS A 29 1.536 0.578 -14.831 1.00 0.55 H new ATOM 0 HZ3 LYS A 29 2.843 1.506 -15.393 1.00 0.55 H new ATOM 467 N LEU A 30 5.371 0.726 -9.680 1.00 0.46 N ATOM 468 CA LEU A 30 6.729 0.216 -9.824 1.00 0.46 C ATOM 469 C LEU A 30 6.975 -0.965 -8.886 1.00 0.46 C ATOM 470 O LEU A 30 7.533 -1.977 -9.304 1.00 0.46 O ATOM 471 CB LEU A 30 7.748 1.339 -9.580 1.00 0.46 C ATOM 472 CG LEU A 30 9.198 0.936 -9.895 1.00 0.46 C ATOM 473 CD1 LEU A 30 9.406 0.596 -11.376 1.00 0.46 C ATOM 474 CD2 LEU A 30 10.121 2.097 -9.516 1.00 0.46 C ATOM 0 H LEU A 30 5.324 1.713 -9.427 1.00 0.46 H new ATOM 0 HA LEU A 30 6.855 -0.145 -10.845 1.00 0.46 H new ATOM 0 HB2 LEU A 30 7.479 2.201 -10.191 1.00 0.46 H new ATOM 0 HB3 LEU A 30 7.686 1.654 -8.538 1.00 0.46 H new ATOM 0 HG LEU A 30 9.427 0.040 -9.319 1.00 0.46 H new ATOM 0 HD11 LEU A 30 10.447 0.318 -11.543 1.00 0.46 H new ATOM 0 HD12 LEU A 30 8.759 -0.237 -11.652 1.00 0.46 H new ATOM 0 HD13 LEU A 30 9.160 1.465 -11.987 1.00 0.46 H new ATOM 0 HD21 LEU A 30 11.154 1.826 -9.734 1.00 0.46 H new ATOM 0 HD22 LEU A 30 9.848 2.981 -10.092 1.00 0.46 H new ATOM 0 HD23 LEU A 30 10.018 2.311 -8.452 1.00 0.46 H new ATOM 486 N LEU A 31 6.557 -0.843 -7.624 1.00 0.39 N ATOM 487 CA LEU A 31 6.658 -1.898 -6.629 1.00 0.39 C ATOM 488 C LEU A 31 5.990 -3.157 -7.161 1.00 0.39 C ATOM 489 O LEU A 31 6.627 -4.209 -7.218 1.00 0.39 O ATOM 490 CB LEU A 31 6.060 -1.425 -5.293 1.00 0.39 C ATOM 491 CG LEU A 31 6.039 -2.514 -4.205 1.00 0.39 C ATOM 492 CD1 LEU A 31 6.074 -1.877 -2.815 1.00 0.39 C ATOM 493 CD2 LEU A 31 4.749 -3.344 -4.245 1.00 0.39 C ATOM 0 H LEU A 31 6.131 0.011 -7.264 1.00 0.39 H new ATOM 0 HA LEU A 31 7.704 -2.138 -6.436 1.00 0.39 H new ATOM 0 HB2 LEU A 31 6.633 -0.572 -4.930 1.00 0.39 H new ATOM 0 HB3 LEU A 31 5.042 -1.075 -5.464 1.00 0.39 H new ATOM 0 HG LEU A 31 6.908 -3.144 -4.395 1.00 0.39 H new ATOM 0 HD11 LEU A 31 6.059 -2.659 -2.056 1.00 0.39 H new ATOM 0 HD12 LEU A 31 6.983 -1.286 -2.709 1.00 0.39 H new ATOM 0 HD13 LEU A 31 5.205 -1.232 -2.689 1.00 0.39 H new ATOM 0 HD21 LEU A 31 4.778 -4.100 -3.460 1.00 0.39 H new ATOM 0 HD22 LEU A 31 3.891 -2.691 -4.088 1.00 0.39 H new ATOM 0 HD23 LEU A 31 4.660 -3.832 -5.216 1.00 0.39 H new ATOM 505 N LEU A 32 4.717 -3.063 -7.555 1.00 0.54 N ATOM 506 CA LEU A 32 4.006 -4.232 -8.051 1.00 0.54 C ATOM 507 C LEU A 32 4.720 -4.796 -9.278 1.00 0.54 C ATOM 508 O LEU A 32 5.051 -5.977 -9.312 1.00 0.54 O ATOM 509 CB LEU A 32 2.538 -3.909 -8.342 1.00 0.54 C ATOM 510 CG LEU A 32 1.717 -3.591 -7.081 1.00 0.54 C ATOM 511 CD1 LEU A 32 0.312 -3.169 -7.514 1.00 0.54 C ATOM 512 CD2 LEU A 32 1.591 -4.793 -6.133 1.00 0.54 C ATOM 0 H LEU A 32 4.170 -2.202 -7.539 1.00 0.54 H new ATOM 0 HA LEU A 32 4.009 -4.998 -7.276 1.00 0.54 H new ATOM 0 HB2 LEU A 32 2.489 -3.058 -9.021 1.00 0.54 H new ATOM 0 HB3 LEU A 32 2.084 -4.755 -8.858 1.00 0.54 H new ATOM 0 HG LEU A 32 2.235 -2.799 -6.541 1.00 0.54 H new ATOM 0 HD11 LEU A 32 -0.287 -2.939 -6.633 1.00 0.54 H new ATOM 0 HD12 LEU A 32 0.377 -2.286 -8.149 1.00 0.54 H new ATOM 0 HD13 LEU A 32 -0.157 -3.981 -8.069 1.00 0.54 H new ATOM 0 HD21 LEU A 32 1.002 -4.509 -5.261 1.00 0.54 H new ATOM 0 HD22 LEU A 32 1.098 -5.615 -6.652 1.00 0.54 H new ATOM 0 HD23 LEU A 32 2.584 -5.109 -5.812 1.00 0.54 H new ATOM 524 N GLN A 33 4.990 -3.945 -10.267 1.00 0.58 N ATOM 525 CA GLN A 33 5.632 -4.334 -11.510 1.00 0.58 C ATOM 526 C GLN A 33 6.948 -5.067 -11.258 1.00 0.58 C ATOM 527 O GLN A 33 7.213 -6.077 -11.910 1.00 0.58 O ATOM 528 CB GLN A 33 5.833 -3.091 -12.391 1.00 0.58 C ATOM 529 CG GLN A 33 6.528 -3.383 -13.730 1.00 0.58 C ATOM 530 CD GLN A 33 5.750 -4.366 -14.598 1.00 0.58 C ATOM 531 OE1 GLN A 33 4.984 -3.960 -15.466 1.00 0.58 O ATOM 532 NE2 GLN A 33 5.935 -5.666 -14.381 1.00 0.58 N ATOM 0 H GLN A 33 4.763 -2.952 -10.221 1.00 0.58 H new ATOM 0 HA GLN A 33 4.985 -5.036 -12.036 1.00 0.58 H new ATOM 0 HB2 GLN A 33 4.862 -2.637 -12.588 1.00 0.58 H new ATOM 0 HB3 GLN A 33 6.422 -2.358 -11.839 1.00 0.58 H new ATOM 0 HG2 GLN A 33 6.661 -2.449 -14.276 1.00 0.58 H new ATOM 0 HG3 GLN A 33 7.523 -3.784 -13.538 1.00 0.58 H new ATOM 0 HE21 GLN A 33 6.578 -5.975 -13.652 1.00 0.58 H new ATOM 0 HE22 GLN A 33 5.433 -6.353 -14.943 1.00 0.58 H new ATOM 541 N THR A 34 7.787 -4.540 -10.365 1.00 0.47 N ATOM 542 CA THR A 34 9.132 -5.055 -10.179 1.00 0.47 C ATOM 543 C THR A 34 9.123 -6.257 -9.234 1.00 0.47 C ATOM 544 O THR A 34 9.705 -7.291 -9.551 1.00 0.47 O ATOM 545 CB THR A 34 10.049 -3.928 -9.683 1.00 0.47 C ATOM 546 OG1 THR A 34 9.876 -2.777 -10.485 1.00 0.47 O ATOM 547 CG2 THR A 34 11.523 -4.336 -9.749 1.00 0.47 C ATOM 0 H THR A 34 7.551 -3.753 -9.760 1.00 0.47 H new ATOM 0 HA THR A 34 9.524 -5.410 -11.132 1.00 0.47 H new ATOM 0 HB THR A 34 9.779 -3.721 -8.647 1.00 0.47 H new ATOM 0 HG1 THR A 34 9.062 -2.306 -10.210 1.00 0.47 H new ATOM 0 HG21 THR A 34 12.144 -3.515 -9.391 1.00 0.47 H new ATOM 0 HG22 THR A 34 11.686 -5.214 -9.124 1.00 0.47 H new ATOM 0 HG23 THR A 34 11.790 -4.570 -10.780 1.00 0.47 H new ATOM 555 N GLU A 35 8.493 -6.124 -8.060 1.00 0.49 N ATOM 556 CA GLU A 35 8.596 -7.121 -7.001 1.00 0.49 C ATOM 557 C GLU A 35 7.473 -8.163 -7.095 1.00 0.49 C ATOM 558 O GLU A 35 7.647 -9.271 -6.594 1.00 0.49 O ATOM 559 CB GLU A 35 8.623 -6.434 -5.618 1.00 0.49 C ATOM 560 CG GLU A 35 9.958 -6.648 -4.892 1.00 0.49 C ATOM 561 CD GLU A 35 10.179 -8.108 -4.501 1.00 0.49 C ATOM 562 OE1 GLU A 35 9.367 -8.611 -3.694 1.00 0.49 O ATOM 563 OE2 GLU A 35 11.162 -8.689 -5.008 1.00 0.49 O ATOM 0 H GLU A 35 7.903 -5.326 -7.824 1.00 0.49 H new ATOM 0 HA GLU A 35 9.535 -7.659 -7.130 1.00 0.49 H new ATOM 0 HB2 GLU A 35 8.445 -5.366 -5.741 1.00 0.49 H new ATOM 0 HB3 GLU A 35 7.811 -6.824 -5.004 1.00 0.49 H new ATOM 0 HG2 GLU A 35 10.775 -6.319 -5.534 1.00 0.49 H new ATOM 0 HG3 GLU A 35 9.986 -6.026 -3.997 1.00 0.49 H new ATOM 570 N PHE A 36 6.331 -7.829 -7.715 1.00 0.62 N ATOM 571 CA PHE A 36 5.169 -8.716 -7.788 1.00 0.62 C ATOM 572 C PHE A 36 4.585 -8.810 -9.202 1.00 0.62 C ATOM 573 O PHE A 36 3.374 -8.648 -9.382 1.00 0.62 O ATOM 574 CB PHE A 36 4.096 -8.237 -6.804 1.00 0.62 C ATOM 575 CG PHE A 36 4.569 -8.059 -5.378 1.00 0.62 C ATOM 576 CD1 PHE A 36 5.151 -6.843 -4.980 1.00 0.62 C ATOM 577 CD2 PHE A 36 4.437 -9.106 -4.452 1.00 0.62 C ATOM 578 CE1 PHE A 36 5.608 -6.679 -3.664 1.00 0.62 C ATOM 579 CE2 PHE A 36 4.801 -8.906 -3.109 1.00 0.62 C ATOM 580 CZ PHE A 36 5.450 -7.715 -2.732 1.00 0.62 C ATOM 0 H PHE A 36 6.191 -6.932 -8.180 1.00 0.62 H new ATOM 0 HA PHE A 36 5.505 -9.717 -7.519 1.00 0.62 H new ATOM 0 HB2 PHE A 36 3.697 -7.287 -7.160 1.00 0.62 H new ATOM 0 HB3 PHE A 36 3.273 -8.952 -6.811 1.00 0.62 H new ATOM 0 HD1 PHE A 36 5.246 -6.034 -5.689 1.00 0.62 H new ATOM 0 HD2 PHE A 36 4.056 -10.065 -4.771 1.00 0.62 H new ATOM 0 HE1 PHE A 36 6.082 -5.755 -3.368 1.00 0.62 H new ATOM 0 HE2 PHE A 36 4.584 -9.663 -2.370 1.00 0.62 H new ATOM 0 HZ PHE A 36 5.826 -7.599 -1.726 1.00 0.62 H new ATOM 590 N PRO A 37 5.406 -9.150 -10.207 1.00 0.76 N ATOM 591 CA PRO A 37 4.925 -9.370 -11.559 1.00 0.76 C ATOM 592 C PRO A 37 3.953 -10.553 -11.592 1.00 0.76 C ATOM 593 O PRO A 37 3.087 -10.616 -12.459 1.00 0.76 O ATOM 594 CB PRO A 37 6.180 -9.625 -12.396 1.00 0.76 C ATOM 595 CG PRO A 37 7.161 -10.232 -11.394 1.00 0.76 C ATOM 596 CD PRO A 37 6.809 -9.515 -10.092 1.00 0.76 C ATOM 0 HA PRO A 37 4.367 -8.520 -11.951 1.00 0.76 H new ATOM 0 HB2 PRO A 37 5.979 -10.306 -13.223 1.00 0.76 H new ATOM 0 HB3 PRO A 37 6.568 -8.703 -12.829 1.00 0.76 H new ATOM 0 HG2 PRO A 37 7.034 -11.311 -11.308 1.00 0.76 H new ATOM 0 HG3 PRO A 37 8.196 -10.055 -11.685 1.00 0.76 H new ATOM 0 HD2 PRO A 37 6.975 -10.163 -9.232 1.00 0.76 H new ATOM 0 HD3 PRO A 37 7.432 -8.632 -9.951 1.00 0.76 H new ATOM 604 N SER A 38 4.085 -11.483 -10.640 1.00 0.88 N ATOM 605 CA SER A 38 3.186 -12.599 -10.435 1.00 0.88 C ATOM 606 C SER A 38 1.781 -12.083 -10.126 1.00 0.88 C ATOM 607 O SER A 38 0.844 -12.296 -10.891 1.00 0.88 O ATOM 608 CB SER A 38 3.745 -13.395 -9.251 1.00 0.88 C ATOM 609 OG SER A 38 4.164 -12.480 -8.244 1.00 0.88 O ATOM 0 H SER A 38 4.855 -11.469 -9.971 1.00 0.88 H new ATOM 0 HA SER A 38 3.115 -13.227 -11.323 1.00 0.88 H new ATOM 0 HB2 SER A 38 2.985 -14.069 -8.856 1.00 0.88 H new ATOM 0 HB3 SER A 38 4.583 -14.013 -9.573 1.00 0.88 H new ATOM 0 HG SER A 38 4.523 -12.977 -7.479 1.00 0.88 H new ATOM 615 N LEU A 39 1.645 -11.410 -8.983 1.00 0.92 N ATOM 616 CA LEU A 39 0.357 -10.977 -8.452 1.00 0.92 C ATOM 617 C LEU A 39 -0.415 -10.119 -9.458 1.00 0.92 C ATOM 618 O LEU A 39 -1.643 -10.199 -9.522 1.00 0.92 O ATOM 619 CB LEU A 39 0.520 -10.246 -7.112 1.00 0.92 C ATOM 620 CG LEU A 39 1.308 -11.030 -6.047 1.00 0.92 C ATOM 621 CD1 LEU A 39 1.255 -10.267 -4.716 1.00 0.92 C ATOM 622 CD2 LEU A 39 0.768 -12.450 -5.833 1.00 0.92 C ATOM 0 H LEU A 39 2.436 -11.148 -8.395 1.00 0.92 H new ATOM 0 HA LEU A 39 -0.232 -11.876 -8.272 1.00 0.92 H new ATOM 0 HB2 LEU A 39 1.022 -9.295 -7.290 1.00 0.92 H new ATOM 0 HB3 LEU A 39 -0.469 -10.015 -6.716 1.00 0.92 H new ATOM 0 HG LEU A 39 2.333 -11.122 -6.406 1.00 0.92 H new ATOM 0 HD11 LEU A 39 1.812 -10.818 -3.958 1.00 0.92 H new ATOM 0 HD12 LEU A 39 1.698 -9.279 -4.845 1.00 0.92 H new ATOM 0 HD13 LEU A 39 0.218 -10.161 -4.399 1.00 0.92 H new ATOM 0 HD21 LEU A 39 1.363 -12.954 -5.071 1.00 0.92 H new ATOM 0 HD22 LEU A 39 -0.271 -12.399 -5.507 1.00 0.92 H new ATOM 0 HD23 LEU A 39 0.828 -13.007 -6.768 1.00 0.92 H new ATOM 634 N LEU A 40 0.284 -9.341 -10.291 1.00 1.28 N ATOM 635 CA LEU A 40 -0.381 -8.546 -11.317 1.00 1.28 C ATOM 636 C LEU A 40 -1.144 -9.429 -12.313 1.00 1.28 C ATOM 637 O LEU A 40 -2.183 -9.003 -12.815 1.00 1.28 O ATOM 638 CB LEU A 40 0.630 -7.659 -12.055 1.00 1.28 C ATOM 639 CG LEU A 40 1.115 -6.458 -11.226 1.00 1.28 C ATOM 640 CD1 LEU A 40 2.240 -5.761 -11.995 1.00 1.28 C ATOM 641 CD2 LEU A 40 -0.009 -5.442 -10.972 1.00 1.28 C ATOM 0 H LEU A 40 1.300 -9.248 -10.272 1.00 1.28 H new ATOM 0 HA LEU A 40 -1.108 -7.908 -10.815 1.00 1.28 H new ATOM 0 HB2 LEU A 40 1.491 -8.264 -12.341 1.00 1.28 H new ATOM 0 HB3 LEU A 40 0.176 -7.294 -12.977 1.00 1.28 H new ATOM 0 HG LEU A 40 1.459 -6.828 -10.260 1.00 1.28 H new ATOM 0 HD11 LEU A 40 2.597 -4.906 -11.422 1.00 1.28 H new ATOM 0 HD12 LEU A 40 3.061 -6.461 -12.152 1.00 1.28 H new ATOM 0 HD13 LEU A 40 1.864 -5.420 -12.960 1.00 1.28 H new ATOM 0 HD21 LEU A 40 0.378 -4.611 -10.383 1.00 1.28 H new ATOM 0 HD22 LEU A 40 -0.384 -5.068 -11.925 1.00 1.28 H new ATOM 0 HD23 LEU A 40 -0.820 -5.925 -10.428 1.00 1.28 H new ATOM 653 N LYS A 41 -0.692 -10.663 -12.566 1.00 2.37 N ATOM 654 CA LYS A 41 -1.429 -11.583 -13.431 1.00 2.37 C ATOM 655 C LYS A 41 -2.710 -12.092 -12.757 1.00 2.37 C ATOM 656 O LYS A 41 -3.547 -12.698 -13.421 1.00 2.37 O ATOM 657 CB LYS A 41 -0.539 -12.769 -13.831 1.00 2.37 C ATOM 658 CG LYS A 41 0.774 -12.314 -14.476 1.00 2.37 C ATOM 659 CD LYS A 41 1.597 -13.528 -14.922 1.00 2.37 C ATOM 660 CE LYS A 41 2.966 -13.102 -15.468 1.00 2.37 C ATOM 661 NZ LYS A 41 3.848 -12.593 -14.403 1.00 2.37 N ATOM 0 H LYS A 41 0.175 -11.043 -12.186 1.00 2.37 H new ATOM 0 HA LYS A 41 -1.718 -11.032 -14.326 1.00 2.37 H new ATOM 0 HB2 LYS A 41 -0.319 -13.370 -12.949 1.00 2.37 H new ATOM 0 HB3 LYS A 41 -1.081 -13.410 -14.527 1.00 2.37 H new ATOM 0 HG2 LYS A 41 0.563 -11.674 -15.333 1.00 2.37 H new ATOM 0 HG3 LYS A 41 1.348 -11.718 -13.767 1.00 2.37 H new ATOM 0 HD2 LYS A 41 1.734 -14.207 -14.080 1.00 2.37 H new ATOM 0 HD3 LYS A 41 1.052 -14.078 -15.689 1.00 2.37 H new ATOM 0 HE2 LYS A 41 3.442 -13.951 -15.958 1.00 2.37 H new ATOM 0 HE3 LYS A 41 2.830 -12.331 -16.227 1.00 2.37 H new ATOM 0 HZ1 LYS A 41 4.763 -12.316 -14.813 1.00 2.37 H new ATOM 0 HZ2 LYS A 41 3.406 -11.767 -13.952 1.00 2.37 H new ATOM 0 HZ3 LYS A 41 3.998 -13.337 -13.692 1.00 2.37 H new ATOM 675 N GLY A 42 -2.887 -11.821 -11.459 1.00 2.78 N ATOM 676 CA GLY A 42 -4.136 -12.033 -10.751 1.00 2.78 C ATOM 677 C GLY A 42 -4.935 -10.736 -10.813 1.00 2.78 C ATOM 678 O GLY A 42 -6.065 -10.719 -11.293 1.00 2.78 O ATOM 0 H GLY A 42 -2.147 -11.442 -10.868 1.00 2.78 H new ATOM 0 HA2 GLY A 42 -4.698 -12.849 -11.205 1.00 2.78 H new ATOM 0 HA3 GLY A 42 -3.945 -12.314 -9.715 1.00 2.78 H new ATOM 682 N GLY A 43 -4.320 -9.641 -10.354 1.00 2.04 N ATOM 683 CA GLY A 43 -4.912 -8.309 -10.334 1.00 2.04 C ATOM 684 C GLY A 43 -5.582 -7.944 -11.660 1.00 2.04 C ATOM 685 O GLY A 43 -6.704 -7.445 -11.672 1.00 2.04 O ATOM 0 H GLY A 43 -3.372 -9.662 -9.977 1.00 2.04 H new ATOM 0 HA2 GLY A 43 -5.648 -8.254 -9.532 1.00 2.04 H new ATOM 0 HA3 GLY A 43 -4.139 -7.575 -10.108 1.00 2.04 H new ATOM 689 N SER A 44 -4.891 -8.187 -12.778 1.00 2.30 N ATOM 690 CA SER A 44 -5.408 -7.994 -14.130 1.00 2.30 C ATOM 691 C SER A 44 -5.817 -6.544 -14.430 1.00 2.30 C ATOM 692 O SER A 44 -6.587 -6.302 -15.354 1.00 2.30 O ATOM 693 CB SER A 44 -6.562 -8.969 -14.403 1.00 2.30 C ATOM 694 OG SER A 44 -6.185 -10.290 -14.067 1.00 2.30 O ATOM 0 H SER A 44 -3.931 -8.532 -12.764 1.00 2.30 H new ATOM 0 HA SER A 44 -4.587 -8.212 -14.813 1.00 2.30 H new ATOM 0 HB2 SER A 44 -7.438 -8.676 -13.824 1.00 2.30 H new ATOM 0 HB3 SER A 44 -6.845 -8.922 -15.455 1.00 2.30 H new ATOM 0 HG SER A 44 -6.157 -10.384 -13.092 1.00 2.30 H new ATOM 700 N THR A 45 -5.280 -5.592 -13.666 1.00 1.27 N ATOM 701 CA THR A 45 -5.452 -4.150 -13.752 1.00 1.27 C ATOM 702 C THR A 45 -4.743 -3.598 -12.511 1.00 1.27 C ATOM 703 O THR A 45 -4.013 -4.332 -11.842 1.00 1.27 O ATOM 704 CB THR A 45 -6.938 -3.722 -13.846 1.00 1.27 C ATOM 705 OG1 THR A 45 -7.044 -2.310 -13.943 1.00 1.27 O ATOM 706 CG2 THR A 45 -7.773 -4.194 -12.652 1.00 1.27 C ATOM 0 H THR A 45 -4.655 -5.840 -12.899 1.00 1.27 H new ATOM 0 HA THR A 45 -5.023 -3.747 -14.670 1.00 1.27 H new ATOM 0 HB THR A 45 -7.332 -4.199 -14.743 1.00 1.27 H new ATOM 0 HG1 THR A 45 -7.989 -2.056 -14.003 1.00 1.27 H new ATOM 0 HG21 THR A 45 -8.804 -3.863 -12.776 1.00 1.27 H new ATOM 0 HG22 THR A 45 -7.745 -5.282 -12.596 1.00 1.27 H new ATOM 0 HG23 THR A 45 -7.365 -3.773 -11.733 1.00 1.27 H new ATOM 714 N LEU A 46 -4.980 -2.326 -12.197 1.00 1.02 N ATOM 715 CA LEU A 46 -4.494 -1.674 -10.988 1.00 1.02 C ATOM 716 C LEU A 46 -5.288 -0.404 -10.654 1.00 1.02 C ATOM 717 O LEU A 46 -5.238 0.058 -9.520 1.00 1.02 O ATOM 718 CB LEU A 46 -3.001 -1.351 -11.181 1.00 1.02 C ATOM 719 CG LEU A 46 -2.312 -0.676 -9.982 1.00 1.02 C ATOM 720 CD1 LEU A 46 -2.442 -1.519 -8.708 1.00 1.02 C ATOM 721 CD2 LEU A 46 -0.829 -0.469 -10.310 1.00 1.02 C ATOM 0 H LEU A 46 -5.529 -1.707 -12.793 1.00 1.02 H new ATOM 0 HA LEU A 46 -4.630 -2.350 -10.143 1.00 1.02 H new ATOM 0 HB2 LEU A 46 -2.473 -2.277 -11.408 1.00 1.02 H new ATOM 0 HB3 LEU A 46 -2.896 -0.703 -12.051 1.00 1.02 H new ATOM 0 HG LEU A 46 -2.800 0.282 -9.800 1.00 1.02 H new ATOM 0 HD11 LEU A 46 -1.943 -1.010 -7.883 1.00 1.02 H new ATOM 0 HD12 LEU A 46 -3.496 -1.654 -8.467 1.00 1.02 H new ATOM 0 HD13 LEU A 46 -1.979 -2.493 -8.867 1.00 1.02 H new ATOM 0 HD21 LEU A 46 -0.333 0.009 -9.465 1.00 1.02 H new ATOM 0 HD22 LEU A 46 -0.362 -1.434 -10.507 1.00 1.02 H new ATOM 0 HD23 LEU A 46 -0.736 0.165 -11.192 1.00 1.02 H new ATOM 733 N ASP A 47 -6.063 0.156 -11.588 1.00 0.96 N ATOM 734 CA ASP A 47 -6.661 1.474 -11.405 1.00 0.96 C ATOM 735 C ASP A 47 -7.682 1.476 -10.266 1.00 0.96 C ATOM 736 O ASP A 47 -7.532 2.211 -9.293 1.00 0.96 O ATOM 737 CB ASP A 47 -7.298 1.951 -12.720 1.00 0.96 C ATOM 738 CG ASP A 47 -6.294 1.969 -13.869 1.00 0.96 C ATOM 739 OD1 ASP A 47 -5.955 0.856 -14.331 1.00 0.96 O ATOM 740 OD2 ASP A 47 -5.878 3.083 -14.251 1.00 0.96 O ATOM 0 H ASP A 47 -6.289 -0.287 -12.479 1.00 0.96 H new ATOM 0 HA ASP A 47 -5.870 2.171 -11.127 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -8.131 1.297 -12.977 1.00 0.96 H new ATOM 0 HB3 ASP A 47 -7.709 2.951 -12.582 1.00 0.96 H new ATOM 745 N GLU A 48 -8.723 0.645 -10.389 1.00 0.97 N ATOM 746 CA GLU A 48 -9.787 0.551 -9.396 1.00 0.97 C ATOM 747 C GLU A 48 -9.189 0.262 -8.017 1.00 0.97 C ATOM 748 O GLU A 48 -9.516 0.927 -7.034 1.00 0.97 O ATOM 749 CB GLU A 48 -10.787 -0.531 -9.827 1.00 0.97 C ATOM 750 CG GLU A 48 -11.996 -0.604 -8.886 1.00 0.97 C ATOM 751 CD GLU A 48 -12.983 -1.671 -9.349 1.00 0.97 C ATOM 752 OE1 GLU A 48 -12.676 -2.860 -9.119 1.00 0.97 O ATOM 753 OE2 GLU A 48 -14.013 -1.277 -9.938 1.00 0.97 O ATOM 0 H GLU A 48 -8.847 0.019 -11.184 1.00 0.97 H new ATOM 0 HA GLU A 48 -10.322 1.498 -9.327 1.00 0.97 H new ATOM 0 HB2 GLU A 48 -11.129 -0.325 -10.841 1.00 0.97 H new ATOM 0 HB3 GLU A 48 -10.286 -1.499 -9.850 1.00 0.97 H new ATOM 0 HG2 GLU A 48 -11.661 -0.828 -7.873 1.00 0.97 H new ATOM 0 HG3 GLU A 48 -12.493 0.366 -8.850 1.00 0.97 H new ATOM 760 N LEU A 49 -8.287 -0.725 -7.968 1.00 0.87 N ATOM 761 CA LEU A 49 -7.554 -1.071 -6.763 1.00 0.87 C ATOM 762 C LEU A 49 -6.889 0.187 -6.207 1.00 0.87 C ATOM 763 O LEU A 49 -7.090 0.519 -5.046 1.00 0.87 O ATOM 764 CB LEU A 49 -6.505 -2.160 -7.045 1.00 0.87 C ATOM 765 CG LEU A 49 -7.037 -3.586 -7.281 1.00 0.87 C ATOM 766 CD1 LEU A 49 -7.755 -4.150 -6.049 1.00 0.87 C ATOM 767 CD2 LEU A 49 -7.932 -3.707 -8.519 1.00 0.87 C ATOM 0 H LEU A 49 -8.050 -1.305 -8.773 1.00 0.87 H new ATOM 0 HA LEU A 49 -8.249 -1.473 -6.026 1.00 0.87 H new ATOM 0 HB2 LEU A 49 -5.931 -1.861 -7.922 1.00 0.87 H new ATOM 0 HB3 LEU A 49 -5.811 -2.190 -6.205 1.00 0.87 H new ATOM 0 HG LEU A 49 -6.148 -4.188 -7.468 1.00 0.87 H new ATOM 0 HD11 LEU A 49 -8.112 -5.157 -6.265 1.00 0.87 H new ATOM 0 HD12 LEU A 49 -7.063 -4.183 -5.208 1.00 0.87 H new ATOM 0 HD13 LEU A 49 -8.602 -3.511 -5.797 1.00 0.87 H new ATOM 0 HD21 LEU A 49 -8.271 -4.738 -8.624 1.00 0.87 H new ATOM 0 HD22 LEU A 49 -8.795 -3.051 -8.409 1.00 0.87 H new ATOM 0 HD23 LEU A 49 -7.367 -3.419 -9.406 1.00 0.87 H new ATOM 779 N PHE A 50 -6.122 0.904 -7.030 1.00 0.72 N ATOM 780 CA PHE A 50 -5.438 2.109 -6.596 1.00 0.72 C ATOM 781 C PHE A 50 -6.416 3.092 -5.961 1.00 0.72 C ATOM 782 O PHE A 50 -6.189 3.541 -4.841 1.00 0.72 O ATOM 783 CB PHE A 50 -4.669 2.779 -7.741 1.00 0.72 C ATOM 784 CG PHE A 50 -3.721 3.824 -7.195 1.00 0.72 C ATOM 785 CD1 PHE A 50 -2.505 3.402 -6.629 1.00 0.72 C ATOM 786 CD2 PHE A 50 -4.206 5.117 -6.916 1.00 0.72 C ATOM 787 CE1 PHE A 50 -1.790 4.258 -5.775 1.00 0.72 C ATOM 788 CE2 PHE A 50 -3.491 5.972 -6.059 1.00 0.72 C ATOM 789 CZ PHE A 50 -2.298 5.529 -5.464 1.00 0.72 C ATOM 0 H PHE A 50 -5.962 0.663 -8.008 1.00 0.72 H new ATOM 0 HA PHE A 50 -4.708 1.808 -5.844 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -4.111 2.029 -8.301 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -5.369 3.241 -8.437 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -2.120 2.418 -6.851 1.00 0.72 H new ATOM 0 HD2 PHE A 50 -5.131 5.453 -7.362 1.00 0.72 H new ATOM 0 HE1 PHE A 50 -0.847 3.937 -5.357 1.00 0.72 H new ATOM 0 HE2 PHE A 50 -3.858 6.968 -5.858 1.00 0.72 H new ATOM 0 HZ PHE A 50 -1.772 6.166 -4.768 1.00 0.72 H new ATOM 799 N GLU A 51 -7.502 3.425 -6.665 1.00 0.82 N ATOM 800 CA GLU A 51 -8.498 4.352 -6.143 1.00 0.82 C ATOM 801 C GLU A 51 -9.024 3.875 -4.786 1.00 0.82 C ATOM 802 O GLU A 51 -9.120 4.661 -3.848 1.00 0.82 O ATOM 803 CB GLU A 51 -9.644 4.538 -7.149 1.00 0.82 C ATOM 804 CG GLU A 51 -9.186 5.150 -8.482 1.00 0.82 C ATOM 805 CD GLU A 51 -8.535 6.518 -8.302 1.00 0.82 C ATOM 806 OE1 GLU A 51 -9.299 7.482 -8.081 1.00 0.82 O ATOM 807 OE2 GLU A 51 -7.289 6.571 -8.384 1.00 0.82 O ATOM 0 H GLU A 51 -7.709 3.064 -7.596 1.00 0.82 H new ATOM 0 HA GLU A 51 -8.022 5.321 -5.994 1.00 0.82 H new ATOM 0 HB2 GLU A 51 -10.110 3.572 -7.341 1.00 0.82 H new ATOM 0 HB3 GLU A 51 -10.407 5.178 -6.706 1.00 0.82 H new ATOM 0 HG2 GLU A 51 -8.479 4.475 -8.964 1.00 0.82 H new ATOM 0 HG3 GLU A 51 -10.043 5.244 -9.149 1.00 0.82 H new ATOM 814 N GLU A 52 -9.352 2.584 -4.681 1.00 0.96 N ATOM 815 CA GLU A 52 -9.835 1.997 -3.439 1.00 0.96 C ATOM 816 C GLU A 52 -8.783 2.134 -2.330 1.00 0.96 C ATOM 817 O GLU A 52 -9.114 2.460 -1.193 1.00 0.96 O ATOM 818 CB GLU A 52 -10.218 0.530 -3.690 1.00 0.96 C ATOM 819 CG GLU A 52 -10.885 -0.141 -2.479 1.00 0.96 C ATOM 820 CD GLU A 52 -12.204 0.524 -2.089 1.00 0.96 C ATOM 821 OE1 GLU A 52 -13.064 0.648 -2.988 1.00 0.96 O ATOM 822 OE2 GLU A 52 -12.331 0.887 -0.900 1.00 0.96 O ATOM 0 H GLU A 52 -9.289 1.923 -5.455 1.00 0.96 H new ATOM 0 HA GLU A 52 -10.722 2.531 -3.100 1.00 0.96 H new ATOM 0 HB2 GLU A 52 -10.895 0.480 -4.543 1.00 0.96 H new ATOM 0 HB3 GLU A 52 -9.323 -0.031 -3.960 1.00 0.96 H new ATOM 0 HG2 GLU A 52 -11.066 -1.192 -2.705 1.00 0.96 H new ATOM 0 HG3 GLU A 52 -10.202 -0.110 -1.630 1.00 0.96 H new ATOM 829 N LEU A 53 -7.516 1.857 -2.649 1.00 1.00 N ATOM 830 CA LEU A 53 -6.441 1.864 -1.667 1.00 1.00 C ATOM 831 C LEU A 53 -6.194 3.294 -1.195 1.00 1.00 C ATOM 832 O LEU A 53 -6.159 3.562 0.005 1.00 1.00 O ATOM 833 CB LEU A 53 -5.174 1.245 -2.266 1.00 1.00 C ATOM 834 CG LEU A 53 -5.327 -0.257 -2.553 1.00 1.00 C ATOM 835 CD1 LEU A 53 -4.239 -0.684 -3.543 1.00 1.00 C ATOM 836 CD2 LEU A 53 -5.237 -1.108 -1.281 1.00 1.00 C ATOM 0 H LEU A 53 -7.212 1.623 -3.594 1.00 1.00 H new ATOM 0 HA LEU A 53 -6.727 1.262 -0.805 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -4.923 1.764 -3.191 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -4.341 1.397 -1.580 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.318 -0.421 -2.975 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -4.337 -1.749 -3.755 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -4.347 -0.119 -4.469 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -3.257 -0.489 -3.111 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -5.351 -2.161 -1.539 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -4.267 -0.953 -0.808 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -6.028 -0.816 -0.591 1.00 1.00 H new ATOM 848 N ASP A 54 -6.065 4.233 -2.132 1.00 1.10 N ATOM 849 CA ASP A 54 -5.914 5.650 -1.845 1.00 1.10 C ATOM 850 C ASP A 54 -7.253 6.271 -1.422 1.00 1.10 C ATOM 851 O ASP A 54 -7.629 7.339 -1.899 1.00 1.10 O ATOM 852 CB ASP A 54 -5.302 6.340 -3.072 1.00 1.10 C ATOM 853 CG ASP A 54 -5.079 7.838 -2.879 1.00 1.10 C ATOM 854 OD1 ASP A 54 -4.838 8.260 -1.727 1.00 1.10 O ATOM 855 OD2 ASP A 54 -5.164 8.561 -3.894 1.00 1.10 O ATOM 0 H ASP A 54 -6.063 4.021 -3.130 1.00 1.10 H new ATOM 0 HA ASP A 54 -5.239 5.791 -1.001 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -4.349 5.866 -3.308 1.00 1.10 H new ATOM 0 HB3 ASP A 54 -5.956 6.185 -3.930 1.00 1.10 H new ATOM 860 N LYS A 55 -7.936 5.660 -0.449 1.00 1.46 N ATOM 861 CA LYS A 55 -9.102 6.260 0.190 1.00 1.46 C ATOM 862 C LYS A 55 -8.723 7.561 0.911 1.00 1.46 C ATOM 863 O LYS A 55 -9.577 8.405 1.169 1.00 1.46 O ATOM 864 CB LYS A 55 -9.843 5.248 1.086 1.00 1.46 C ATOM 865 CG LYS A 55 -9.001 4.248 1.900 1.00 1.46 C ATOM 866 CD LYS A 55 -8.006 4.854 2.901 1.00 1.46 C ATOM 867 CE LYS A 55 -8.650 5.786 3.937 1.00 1.46 C ATOM 868 NZ LYS A 55 -9.678 5.093 4.733 1.00 1.46 N ATOM 0 H LYS A 55 -7.694 4.738 -0.086 1.00 1.46 H new ATOM 0 HA LYS A 55 -9.817 6.538 -0.585 1.00 1.46 H new ATOM 0 HB2 LYS A 55 -10.460 5.811 1.786 1.00 1.46 H new ATOM 0 HB3 LYS A 55 -10.521 4.675 0.453 1.00 1.46 H new ATOM 0 HG2 LYS A 55 -9.680 3.594 2.446 1.00 1.46 H new ATOM 0 HG3 LYS A 55 -8.446 3.621 1.203 1.00 1.46 H new ATOM 0 HD2 LYS A 55 -7.494 4.046 3.423 1.00 1.46 H new ATOM 0 HD3 LYS A 55 -7.246 5.409 2.351 1.00 1.46 H new ATOM 0 HE2 LYS A 55 -7.880 6.179 4.601 1.00 1.46 H new ATOM 0 HE3 LYS A 55 -9.098 6.640 3.429 1.00 1.46 H new ATOM 0 HZ1 LYS A 55 -10.053 5.741 5.455 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 -10.451 4.785 4.109 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 -9.256 4.264 5.198 1.00 1.46 H new ATOM 882 N ASN A 56 -7.432 7.738 1.211 1.00 2.22 N ATOM 883 CA ASN A 56 -6.863 8.991 1.686 1.00 2.22 C ATOM 884 C ASN A 56 -7.135 10.101 0.667 1.00 2.22 C ATOM 885 O ASN A 56 -7.405 11.238 1.042 1.00 2.22 O ATOM 886 CB ASN A 56 -5.354 8.783 1.881 1.00 2.22 C ATOM 887 CG ASN A 56 -4.620 9.936 2.565 1.00 2.22 C ATOM 888 OD1 ASN A 56 -4.891 11.191 2.220 1.00 2.22 O flip ATOM 889 ND2 ASN A 56 -3.770 9.697 3.415 1.00 2.22 N flip ATOM 0 H ASN A 56 -6.742 6.992 1.126 1.00 2.22 H new ATOM 0 HA ASN A 56 -7.316 9.288 2.632 1.00 2.22 H new ATOM 0 HB2 ASN A 56 -5.201 7.877 2.468 1.00 2.22 H new ATOM 0 HB3 ASN A 56 -4.898 8.611 0.906 1.00 2.22 H new ATOM 0 HD21 ASN A 56 -3.566 8.732 3.676 1.00 2.22 H new ATOM 0 HD22 ASN A 56 -3.266 10.463 3.862 1.00 2.22 H new ATOM 896 N GLY A 57 -6.974 9.794 -0.618 1.00 2.60 N ATOM 897 CA GLY A 57 -7.173 10.728 -1.712 1.00 2.60 C ATOM 898 C GLY A 57 -5.984 11.676 -1.845 1.00 2.60 C ATOM 899 O GLY A 57 -6.168 12.866 -2.086 1.00 2.60 O ATOM 0 H GLY A 57 -6.694 8.864 -0.930 1.00 2.60 H new ATOM 0 HA2 GLY A 57 -7.311 10.179 -2.643 1.00 2.60 H new ATOM 0 HA3 GLY A 57 -8.084 11.303 -1.543 1.00 2.60 H new ATOM 903 N ASP A 58 -4.764 11.145 -1.696 1.00 1.57 N ATOM 904 CA ASP A 58 -3.517 11.901 -1.831 1.00 1.57 C ATOM 905 C ASP A 58 -2.625 11.351 -2.949 1.00 1.57 C ATOM 906 O ASP A 58 -1.477 11.766 -3.079 1.00 1.57 O ATOM 907 CB ASP A 58 -2.771 11.940 -0.489 1.00 1.57 C ATOM 908 CG ASP A 58 -2.277 10.578 0.003 1.00 1.57 C ATOM 909 OD1 ASP A 58 -2.507 9.573 -0.704 1.00 1.57 O ATOM 910 OD2 ASP A 58 -1.674 10.570 1.097 1.00 1.57 O ATOM 0 H ASP A 58 -4.615 10.161 -1.474 1.00 1.57 H new ATOM 0 HA ASP A 58 -3.777 12.921 -2.115 1.00 1.57 H new ATOM 0 HB2 ASP A 58 -1.916 12.610 -0.582 1.00 1.57 H new ATOM 0 HB3 ASP A 58 -3.430 12.368 0.266 1.00 1.57 H new ATOM 915 N GLY A 59 -3.129 10.408 -3.748 1.00 0.86 N ATOM 916 CA GLY A 59 -2.366 9.777 -4.810 1.00 0.86 C ATOM 917 C GLY A 59 -1.286 8.831 -4.284 1.00 0.86 C ATOM 918 O GLY A 59 -0.378 8.487 -5.046 1.00 0.86 O ATOM 0 H GLY A 59 -4.086 10.063 -3.670 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -3.044 9.222 -5.458 1.00 0.86 H new ATOM 0 HA3 GLY A 59 -1.900 10.548 -5.423 1.00 0.86 H new ATOM 922 N GLU A 60 -1.378 8.385 -3.018 1.00 0.44 N ATOM 923 CA GLU A 60 -0.413 7.472 -2.422 1.00 0.44 C ATOM 924 C GLU A 60 -1.074 6.327 -1.645 1.00 0.44 C ATOM 925 O GLU A 60 -2.281 6.342 -1.409 1.00 0.44 O ATOM 926 CB GLU A 60 0.571 8.222 -1.509 1.00 0.44 C ATOM 927 CG GLU A 60 1.033 9.600 -2.003 1.00 0.44 C ATOM 928 CD GLU A 60 2.264 10.070 -1.231 1.00 0.44 C ATOM 929 OE1 GLU A 60 2.101 10.361 -0.025 1.00 0.44 O ATOM 930 OE2 GLU A 60 3.348 10.106 -1.852 1.00 0.44 O ATOM 0 H GLU A 60 -2.131 8.655 -2.385 1.00 0.44 H new ATOM 0 HA GLU A 60 0.134 7.029 -3.254 1.00 0.44 H new ATOM 0 HB2 GLU A 60 0.105 8.346 -0.531 1.00 0.44 H new ATOM 0 HB3 GLU A 60 1.452 7.596 -1.366 1.00 0.44 H new ATOM 0 HG2 GLU A 60 1.263 9.551 -3.067 1.00 0.44 H new ATOM 0 HG3 GLU A 60 0.226 10.323 -1.884 1.00 0.44 H new ATOM 937 N VAL A 61 -0.257 5.341 -1.258 1.00 0.38 N ATOM 938 CA VAL A 61 -0.625 4.140 -0.516 1.00 0.38 C ATOM 939 C VAL A 61 0.387 3.967 0.625 1.00 0.38 C ATOM 940 O VAL A 61 1.588 3.883 0.372 1.00 0.38 O ATOM 941 CB VAL A 61 -0.619 2.945 -1.491 1.00 0.38 C ATOM 942 CG1 VAL A 61 -0.789 1.587 -0.803 1.00 0.38 C ATOM 943 CG2 VAL A 61 -1.772 3.104 -2.492 1.00 0.38 C ATOM 0 H VAL A 61 0.740 5.367 -1.470 1.00 0.38 H new ATOM 0 HA VAL A 61 -1.623 4.210 -0.083 1.00 0.38 H new ATOM 0 HB VAL A 61 0.358 2.954 -1.975 1.00 0.38 H new ATOM 0 HG11 VAL A 61 -0.775 0.795 -1.552 1.00 0.38 H new ATOM 0 HG12 VAL A 61 0.026 1.433 -0.096 1.00 0.38 H new ATOM 0 HG13 VAL A 61 -1.740 1.565 -0.270 1.00 0.38 H new ATOM 0 HG21 VAL A 61 -1.772 2.262 -3.184 1.00 0.38 H new ATOM 0 HG22 VAL A 61 -2.720 3.132 -1.954 1.00 0.38 H new ATOM 0 HG23 VAL A 61 -1.644 4.032 -3.050 1.00 0.38 H new ATOM 953 N SER A 62 -0.083 3.944 1.877 1.00 0.39 N ATOM 954 CA SER A 62 0.766 3.811 3.057 1.00 0.39 C ATOM 955 C SER A 62 1.305 2.386 3.201 1.00 0.39 C ATOM 956 O SER A 62 0.829 1.473 2.528 1.00 0.39 O ATOM 957 CB SER A 62 -0.042 4.219 4.294 1.00 0.39 C ATOM 958 OG SER A 62 -1.118 3.316 4.491 1.00 0.39 O ATOM 0 H SER A 62 -1.076 4.018 2.098 1.00 0.39 H new ATOM 0 HA SER A 62 1.630 4.467 2.951 1.00 0.39 H new ATOM 0 HB2 SER A 62 0.602 4.227 5.173 1.00 0.39 H new ATOM 0 HB3 SER A 62 -0.425 5.232 4.170 1.00 0.39 H new ATOM 0 HG SER A 62 -1.628 3.583 5.284 1.00 0.39 H new ATOM 964 N PHE A 63 2.262 2.173 4.115 1.00 0.39 N ATOM 965 CA PHE A 63 2.701 0.816 4.435 1.00 0.39 C ATOM 966 C PHE A 63 1.512 -0.023 4.894 1.00 0.39 C ATOM 967 O PHE A 63 1.323 -1.133 4.409 1.00 0.39 O ATOM 968 CB PHE A 63 3.831 0.781 5.475 1.00 0.39 C ATOM 969 CG PHE A 63 4.176 -0.638 5.909 1.00 0.39 C ATOM 970 CD1 PHE A 63 4.512 -1.594 4.931 1.00 0.39 C ATOM 971 CD2 PHE A 63 3.910 -1.066 7.225 1.00 0.39 C ATOM 972 CE1 PHE A 63 4.503 -2.965 5.243 1.00 0.39 C ATOM 973 CE2 PHE A 63 3.989 -2.431 7.556 1.00 0.39 C ATOM 974 CZ PHE A 63 4.288 -3.382 6.566 1.00 0.39 C ATOM 0 H PHE A 63 2.737 2.911 4.635 1.00 0.39 H new ATOM 0 HA PHE A 63 3.115 0.388 3.522 1.00 0.39 H new ATOM 0 HB2 PHE A 63 4.719 1.257 5.059 1.00 0.39 H new ATOM 0 HB3 PHE A 63 3.536 1.364 6.348 1.00 0.39 H new ATOM 0 HD1 PHE A 63 4.778 -1.272 3.935 1.00 0.39 H new ATOM 0 HD2 PHE A 63 3.644 -0.343 7.982 1.00 0.39 H new ATOM 0 HE1 PHE A 63 4.661 -3.697 4.465 1.00 0.39 H new ATOM 0 HE2 PHE A 63 3.819 -2.749 8.574 1.00 0.39 H new ATOM 0 HZ PHE A 63 4.352 -4.429 6.822 1.00 0.39 H new ATOM 984 N GLU A 64 0.694 0.515 5.803 1.00 0.43 N ATOM 985 CA GLU A 64 -0.518 -0.149 6.259 1.00 0.43 C ATOM 986 C GLU A 64 -1.383 -0.537 5.061 1.00 0.43 C ATOM 987 O GLU A 64 -1.751 -1.700 4.911 1.00 0.43 O ATOM 988 CB GLU A 64 -1.271 0.770 7.229 1.00 0.43 C ATOM 989 CG GLU A 64 -2.466 0.056 7.877 1.00 0.43 C ATOM 990 CD GLU A 64 -3.187 0.974 8.859 1.00 0.43 C ATOM 991 OE1 GLU A 64 -3.778 1.964 8.376 1.00 0.43 O ATOM 992 OE2 GLU A 64 -3.122 0.677 10.072 1.00 0.43 O ATOM 0 H GLU A 64 0.858 1.422 6.240 1.00 0.43 H new ATOM 0 HA GLU A 64 -0.262 -1.065 6.791 1.00 0.43 H new ATOM 0 HB2 GLU A 64 -0.589 1.116 8.006 1.00 0.43 H new ATOM 0 HB3 GLU A 64 -1.621 1.654 6.695 1.00 0.43 H new ATOM 0 HG2 GLU A 64 -3.161 -0.272 7.104 1.00 0.43 H new ATOM 0 HG3 GLU A 64 -2.121 -0.838 8.396 1.00 0.43 H new ATOM 999 N GLU A 65 -1.701 0.438 4.208 1.00 0.43 N ATOM 1000 CA GLU A 65 -2.576 0.214 3.071 1.00 0.43 C ATOM 1001 C GLU A 65 -1.992 -0.863 2.140 1.00 0.43 C ATOM 1002 O GLU A 65 -2.701 -1.758 1.687 1.00 0.43 O ATOM 1003 CB GLU A 65 -2.806 1.560 2.375 1.00 0.43 C ATOM 1004 CG GLU A 65 -3.970 1.527 1.380 1.00 0.43 C ATOM 1005 CD GLU A 65 -5.319 1.359 2.079 1.00 0.43 C ATOM 1006 OE1 GLU A 65 -5.639 2.232 2.914 1.00 0.43 O ATOM 1007 OE2 GLU A 65 -5.992 0.349 1.783 1.00 0.43 O ATOM 0 H GLU A 65 -1.359 1.396 4.290 1.00 0.43 H new ATOM 0 HA GLU A 65 -3.543 -0.173 3.392 1.00 0.43 H new ATOM 0 HB2 GLU A 65 -3.000 2.324 3.128 1.00 0.43 H new ATOM 0 HB3 GLU A 65 -1.896 1.853 1.852 1.00 0.43 H new ATOM 0 HG2 GLU A 65 -3.976 2.449 0.799 1.00 0.43 H new ATOM 0 HG3 GLU A 65 -3.822 0.708 0.677 1.00 0.43 H new ATOM 1014 N PHE A 66 -0.687 -0.797 1.873 1.00 0.36 N ATOM 1015 CA PHE A 66 0.020 -1.791 1.073 1.00 0.36 C ATOM 1016 C PHE A 66 -0.045 -3.181 1.719 1.00 0.36 C ATOM 1017 O PHE A 66 -0.372 -4.168 1.063 1.00 0.36 O ATOM 1018 CB PHE A 66 1.474 -1.349 0.876 1.00 0.36 C ATOM 1019 CG PHE A 66 2.354 -2.422 0.270 1.00 0.36 C ATOM 1020 CD1 PHE A 66 2.071 -2.913 -1.018 1.00 0.36 C ATOM 1021 CD2 PHE A 66 3.362 -3.030 1.043 1.00 0.36 C ATOM 1022 CE1 PHE A 66 2.794 -4.002 -1.529 1.00 0.36 C ATOM 1023 CE2 PHE A 66 4.152 -4.052 0.489 1.00 0.36 C ATOM 1024 CZ PHE A 66 3.858 -4.550 -0.790 1.00 0.36 C ATOM 0 H PHE A 66 -0.088 -0.044 2.210 1.00 0.36 H new ATOM 0 HA PHE A 66 -0.468 -1.865 0.101 1.00 0.36 H new ATOM 0 HB2 PHE A 66 1.494 -0.468 0.234 1.00 0.36 H new ATOM 0 HB3 PHE A 66 1.889 -1.051 1.839 1.00 0.36 H new ATOM 0 HD1 PHE A 66 1.297 -2.452 -1.614 1.00 0.36 H new ATOM 0 HD2 PHE A 66 3.528 -2.711 2.061 1.00 0.36 H new ATOM 0 HE1 PHE A 66 2.533 -4.420 -2.490 1.00 0.36 H new ATOM 0 HE2 PHE A 66 4.985 -4.454 1.047 1.00 0.36 H new ATOM 0 HZ PHE A 66 4.448 -5.353 -1.206 1.00 0.36 H new ATOM 1034 N GLN A 67 0.267 -3.272 3.009 1.00 0.38 N ATOM 1035 CA GLN A 67 0.228 -4.520 3.748 1.00 0.38 C ATOM 1036 C GLN A 67 -1.179 -5.119 3.647 1.00 0.38 C ATOM 1037 O GLN A 67 -1.337 -6.302 3.353 1.00 0.38 O ATOM 1038 CB GLN A 67 0.659 -4.253 5.195 1.00 0.38 C ATOM 1039 CG GLN A 67 0.777 -5.545 6.011 1.00 0.38 C ATOM 1040 CD GLN A 67 1.442 -5.299 7.362 1.00 0.38 C ATOM 1041 OE1 GLN A 67 2.386 -5.990 7.731 1.00 0.38 O ATOM 1042 NE2 GLN A 67 0.970 -4.307 8.113 1.00 0.38 N ATOM 0 H GLN A 67 0.556 -2.471 3.571 1.00 0.38 H new ATOM 0 HA GLN A 67 0.921 -5.250 3.330 1.00 0.38 H new ATOM 0 HB2 GLN A 67 1.618 -3.735 5.197 1.00 0.38 H new ATOM 0 HB3 GLN A 67 -0.063 -3.589 5.671 1.00 0.38 H new ATOM 0 HG2 GLN A 67 -0.215 -5.970 6.165 1.00 0.38 H new ATOM 0 HG3 GLN A 67 1.355 -6.279 5.449 1.00 0.38 H new ATOM 0 HE21 GLN A 67 0.184 -3.747 7.783 1.00 0.38 H new ATOM 0 HE22 GLN A 67 1.394 -4.106 9.019 1.00 0.38 H new ATOM 1051 N VAL A 68 -2.198 -4.282 3.852 1.00 0.49 N ATOM 1052 CA VAL A 68 -3.595 -4.637 3.656 1.00 0.49 C ATOM 1053 C VAL A 68 -3.837 -5.127 2.221 1.00 0.49 C ATOM 1054 O VAL A 68 -4.493 -6.150 2.047 1.00 0.49 O ATOM 1055 CB VAL A 68 -4.490 -3.456 4.076 1.00 0.49 C ATOM 1056 CG1 VAL A 68 -5.930 -3.596 3.564 1.00 0.49 C ATOM 1057 CG2 VAL A 68 -4.522 -3.349 5.607 1.00 0.49 C ATOM 0 H VAL A 68 -2.067 -3.320 4.165 1.00 0.49 H new ATOM 0 HA VAL A 68 -3.864 -5.477 4.296 1.00 0.49 H new ATOM 0 HB VAL A 68 -4.060 -2.559 3.631 1.00 0.49 H new ATOM 0 HG11 VAL A 68 -6.517 -2.737 3.889 1.00 0.49 H new ATOM 0 HG12 VAL A 68 -5.926 -3.642 2.475 1.00 0.49 H new ATOM 0 HG13 VAL A 68 -6.371 -4.509 3.964 1.00 0.49 H new ATOM 0 HG21 VAL A 68 -5.156 -2.512 5.900 1.00 0.49 H new ATOM 0 HG22 VAL A 68 -4.921 -4.272 6.028 1.00 0.49 H new ATOM 0 HG23 VAL A 68 -3.511 -3.187 5.982 1.00 0.49 H new ATOM 1067 N LEU A 69 -3.313 -4.449 1.192 1.00 0.52 N ATOM 1068 CA LEU A 69 -3.419 -4.944 -0.182 1.00 0.52 C ATOM 1069 C LEU A 69 -2.871 -6.368 -0.266 1.00 0.52 C ATOM 1070 O LEU A 69 -3.578 -7.281 -0.688 1.00 0.52 O ATOM 1071 CB LEU A 69 -2.708 -4.017 -1.185 1.00 0.52 C ATOM 1072 CG LEU A 69 -2.629 -4.595 -2.611 1.00 0.52 C ATOM 1073 CD1 LEU A 69 -4.017 -4.827 -3.220 1.00 0.52 C ATOM 1074 CD2 LEU A 69 -1.802 -3.662 -3.504 1.00 0.52 C ATOM 0 H LEU A 69 -2.816 -3.563 1.286 1.00 0.52 H new ATOM 0 HA LEU A 69 -4.474 -4.954 -0.456 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -3.232 -3.062 -1.218 1.00 0.52 H new ATOM 0 HB3 LEU A 69 -1.698 -3.815 -0.827 1.00 0.52 H new ATOM 0 HG LEU A 69 -2.141 -5.568 -2.548 1.00 0.52 H new ATOM 0 HD11 LEU A 69 -3.910 -5.235 -4.225 1.00 0.52 H new ATOM 0 HD12 LEU A 69 -4.573 -5.530 -2.600 1.00 0.52 H new ATOM 0 HD13 LEU A 69 -4.556 -3.881 -3.268 1.00 0.52 H new ATOM 0 HD21 LEU A 69 -1.749 -4.075 -4.511 1.00 0.52 H new ATOM 0 HD22 LEU A 69 -2.273 -2.680 -3.539 1.00 0.52 H new ATOM 0 HD23 LEU A 69 -0.795 -3.567 -3.097 1.00 0.52 H new ATOM 1086 N VAL A 70 -1.610 -6.567 0.120 1.00 0.52 N ATOM 1087 CA VAL A 70 -0.974 -7.874 0.005 1.00 0.52 C ATOM 1088 C VAL A 70 -1.784 -8.928 0.764 1.00 0.52 C ATOM 1089 O VAL A 70 -2.039 -10.008 0.233 1.00 0.52 O ATOM 1090 CB VAL A 70 0.492 -7.813 0.453 1.00 0.52 C ATOM 1091 CG1 VAL A 70 1.126 -9.209 0.386 1.00 0.52 C ATOM 1092 CG2 VAL A 70 1.290 -6.877 -0.463 1.00 0.52 C ATOM 0 H VAL A 70 -1.013 -5.840 0.514 1.00 0.52 H new ATOM 0 HA VAL A 70 -0.962 -8.173 -1.043 1.00 0.52 H new ATOM 0 HB VAL A 70 0.516 -7.441 1.477 1.00 0.52 H new ATOM 0 HG11 VAL A 70 2.166 -9.152 0.706 1.00 0.52 H new ATOM 0 HG12 VAL A 70 0.581 -9.888 1.042 1.00 0.52 H new ATOM 0 HG13 VAL A 70 1.082 -9.580 -0.638 1.00 0.52 H new ATOM 0 HG21 VAL A 70 2.328 -6.843 -0.133 1.00 0.52 H new ATOM 0 HG22 VAL A 70 1.246 -7.246 -1.488 1.00 0.52 H new ATOM 0 HG23 VAL A 70 0.863 -5.875 -0.420 1.00 0.52 H new ATOM 1102 N LYS A 71 -2.217 -8.609 1.985 1.00 0.69 N ATOM 1103 CA LYS A 71 -3.119 -9.455 2.751 1.00 0.69 C ATOM 1104 C LYS A 71 -4.348 -9.820 1.913 1.00 0.69 C ATOM 1105 O LYS A 71 -4.643 -11.001 1.753 1.00 0.69 O ATOM 1106 CB LYS A 71 -3.482 -8.757 4.071 1.00 0.69 C ATOM 1107 CG LYS A 71 -4.588 -9.489 4.835 1.00 0.69 C ATOM 1108 CD LYS A 71 -4.747 -8.906 6.244 1.00 0.69 C ATOM 1109 CE LYS A 71 -5.981 -9.483 6.950 1.00 0.69 C ATOM 1110 NZ LYS A 71 -5.918 -10.951 7.065 1.00 0.69 N ATOM 0 H LYS A 71 -1.948 -7.752 2.468 1.00 0.69 H new ATOM 0 HA LYS A 71 -2.626 -10.394 3.004 1.00 0.69 H new ATOM 0 HB2 LYS A 71 -2.594 -8.690 4.699 1.00 0.69 H new ATOM 0 HB3 LYS A 71 -3.803 -7.736 3.863 1.00 0.69 H new ATOM 0 HG2 LYS A 71 -5.530 -9.405 4.292 1.00 0.69 H new ATOM 0 HG3 LYS A 71 -4.351 -10.551 4.900 1.00 0.69 H new ATOM 0 HD2 LYS A 71 -3.855 -9.122 6.832 1.00 0.69 H new ATOM 0 HD3 LYS A 71 -4.834 -7.821 6.183 1.00 0.69 H new ATOM 0 HE2 LYS A 71 -6.067 -9.045 7.945 1.00 0.69 H new ATOM 0 HE3 LYS A 71 -6.878 -9.201 6.399 1.00 0.69 H new ATOM 0 HZ1 LYS A 71 -6.737 -11.292 7.607 1.00 0.69 H new ATOM 0 HZ2 LYS A 71 -5.931 -11.374 6.115 1.00 0.69 H new ATOM 0 HZ3 LYS A 71 -5.042 -11.224 7.554 1.00 0.69 H new ATOM 1124 N LYS A 72 -5.048 -8.822 1.367 1.00 0.80 N ATOM 1125 CA LYS A 72 -6.255 -9.027 0.576 1.00 0.80 C ATOM 1126 C LYS A 72 -5.989 -9.879 -0.670 1.00 0.80 C ATOM 1127 O LYS A 72 -6.841 -10.682 -1.043 1.00 0.80 O ATOM 1128 CB LYS A 72 -6.893 -7.679 0.209 1.00 0.80 C ATOM 1129 CG LYS A 72 -7.508 -6.969 1.429 1.00 0.80 C ATOM 1130 CD LYS A 72 -8.871 -7.536 1.861 1.00 0.80 C ATOM 1131 CE LYS A 72 -10.063 -6.818 1.211 1.00 0.80 C ATOM 1132 NZ LYS A 72 -10.078 -6.955 -0.255 1.00 0.80 N ATOM 0 H LYS A 72 -4.787 -7.841 1.465 1.00 0.80 H new ATOM 0 HA LYS A 72 -6.962 -9.585 1.190 1.00 0.80 H new ATOM 0 HB2 LYS A 72 -6.139 -7.034 -0.241 1.00 0.80 H new ATOM 0 HB3 LYS A 72 -7.666 -7.839 -0.543 1.00 0.80 H new ATOM 0 HG2 LYS A 72 -6.814 -7.041 2.266 1.00 0.80 H new ATOM 0 HG3 LYS A 72 -7.623 -5.909 1.200 1.00 0.80 H new ATOM 0 HD2 LYS A 72 -8.912 -8.595 1.608 1.00 0.80 H new ATOM 0 HD3 LYS A 72 -8.960 -7.463 2.945 1.00 0.80 H new ATOM 0 HE2 LYS A 72 -10.990 -7.220 1.619 1.00 0.80 H new ATOM 0 HE3 LYS A 72 -10.032 -5.760 1.473 1.00 0.80 H new ATOM 0 HZ1 LYS A 72 -10.983 -6.602 -0.627 1.00 0.80 H new ATOM 0 HZ2 LYS A 72 -9.297 -6.403 -0.663 1.00 0.80 H new ATOM 0 HZ3 LYS A 72 -9.965 -7.957 -0.511 1.00 0.80 H new ATOM 1146 N ILE A 73 -4.828 -9.731 -1.316 1.00 0.85 N ATOM 1147 CA ILE A 73 -4.450 -10.628 -2.406 1.00 0.85 C ATOM 1148 C ILE A 73 -4.292 -12.051 -1.855 1.00 0.85 C ATOM 1149 O ILE A 73 -4.812 -13.007 -2.424 1.00 0.85 O ATOM 1150 CB ILE A 73 -3.160 -10.160 -3.118 1.00 0.85 C ATOM 1151 CG1 ILE A 73 -3.320 -8.761 -3.740 1.00 0.85 C ATOM 1152 CG2 ILE A 73 -2.798 -11.168 -4.222 1.00 0.85 C ATOM 1153 CD1 ILE A 73 -1.984 -8.152 -4.192 1.00 0.85 C ATOM 0 H ILE A 73 -4.142 -9.006 -1.104 1.00 0.85 H new ATOM 0 HA ILE A 73 -5.240 -10.615 -3.156 1.00 0.85 H new ATOM 0 HB ILE A 73 -2.367 -10.104 -2.372 1.00 0.85 H new ATOM 0 HG12 ILE A 73 -3.993 -8.824 -4.595 1.00 0.85 H new ATOM 0 HG13 ILE A 73 -3.789 -8.097 -3.014 1.00 0.85 H new ATOM 0 HG21 ILE A 73 -1.889 -10.843 -4.728 1.00 0.85 H new ATOM 0 HG22 ILE A 73 -2.635 -12.150 -3.779 1.00 0.85 H new ATOM 0 HG23 ILE A 73 -3.613 -11.226 -4.943 1.00 0.85 H new ATOM 0 HD11 ILE A 73 -2.161 -7.166 -4.622 1.00 0.85 H new ATOM 0 HD12 ILE A 73 -1.318 -8.060 -3.334 1.00 0.85 H new ATOM 0 HD13 ILE A 73 -1.525 -8.797 -4.941 1.00 0.85 H new ATOM 1165 N SER A 74 -3.530 -12.190 -0.768 1.00 1.11 N ATOM 1166 CA SER A 74 -3.101 -13.481 -0.249 1.00 1.11 C ATOM 1167 C SER A 74 -4.266 -14.301 0.315 1.00 1.11 C ATOM 1168 O SER A 74 -4.469 -15.444 -0.088 1.00 1.11 O ATOM 1169 CB SER A 74 -2.009 -13.276 0.805 1.00 1.11 C ATOM 1170 OG SER A 74 -0.934 -12.532 0.263 1.00 1.11 O ATOM 0 H SER A 74 -3.192 -11.398 -0.221 1.00 1.11 H new ATOM 0 HA SER A 74 -2.695 -14.057 -1.080 1.00 1.11 H new ATOM 0 HB2 SER A 74 -2.422 -12.755 1.669 1.00 1.11 H new ATOM 0 HB3 SER A 74 -1.649 -14.242 1.158 1.00 1.11 H new ATOM 0 HG SER A 74 -1.174 -11.582 0.236 1.00 1.11 H new ATOM 1176 N GLN A 75 -4.990 -13.741 1.291 1.00 1.87 N ATOM 1177 CA GLN A 75 -6.054 -14.391 2.055 1.00 1.87 C ATOM 1178 C GLN A 75 -5.820 -15.894 2.228 1.00 1.87 C ATOM 1179 O GLN A 75 -5.749 -16.402 3.390 1.00 1.87 O ATOM 1180 CB GLN A 75 -7.417 -14.109 1.408 1.00 1.87 C ATOM 1181 CG GLN A 75 -7.782 -12.619 1.464 1.00 1.87 C ATOM 1182 CD GLN A 75 -8.034 -12.119 2.885 1.00 1.87 C ATOM 1183 OE1 GLN A 75 -7.305 -11.280 3.406 1.00 1.87 O ATOM 1184 NE2 GLN A 75 -9.075 -12.631 3.533 1.00 1.87 N ATOM 1185 OXT GLN A 75 -5.696 -16.637 1.206 1.00 1.87 O ATOM 0 H GLN A 75 -4.840 -12.775 1.581 1.00 1.87 H new ATOM 0 HA GLN A 75 -6.045 -13.964 3.058 1.00 1.87 H new ATOM 0 HB2 GLN A 75 -7.401 -14.440 0.369 1.00 1.87 H new ATOM 0 HB3 GLN A 75 -8.187 -14.690 1.916 1.00 1.87 H new ATOM 0 HG2 GLN A 75 -6.976 -12.036 1.017 1.00 1.87 H new ATOM 0 HG3 GLN A 75 -8.673 -12.446 0.861 1.00 1.87 H new ATOM 0 HE21 GLN A 75 -9.666 -13.327 3.079 1.00 1.87 H new ATOM 0 HE22 GLN A 75 -9.283 -12.328 4.485 1.00 1.87 H new TER 1194 GLN A 75