USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 58 GLN : amide:sc= -0.157 K(o=0.47,f=-3.7) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -111:sc= 0.625 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= -0.741 (180deg=-0.741) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 170:sc= -0.061 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 93:sc= 1.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= 0.0188 (180deg=-0.0166) USER MOD Single : A 24 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.2!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.01 X(o=-1,f=-1.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.74 K(o=-3.7,f=-12!) USER MOD Single : A 30 THR OG1 : rot -38:sc= 1.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.19) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.12 USER MOD Single : A 64 ASN : amide:sc= -7.13! C(o=-7.1!,f=-6!) USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.456 USER MOD Single : A 67 GLN : amide:sc= 0.423 K(o=0.42,f=-0.65) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.4 K(o=-2.4,f=-1) USER MOD Single : A 77 ASN : amide:sc= -3.58! K(o=-3.6!,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0175 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.077 -0.526 -1.153 1.00 0.00 N ATOM 2 CA LEU A 1 2.442 -0.220 -0.739 1.00 0.00 C ATOM 3 C LEU A 1 3.320 -1.466 -0.792 1.00 0.00 C ATOM 4 O LEU A 1 4.292 -1.587 -0.046 1.00 0.00 O ATOM 5 CB LEU A 1 2.449 0.362 0.676 1.00 0.00 C ATOM 6 CG LEU A 1 1.612 1.625 0.886 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.397 1.882 2.370 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.279 2.823 0.227 1.00 0.00 C ATOM 0 H1 LEU A 1 0.499 0.337 -1.109 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.083 -0.889 -2.128 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.675 -1.245 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 1 2.848 0.518 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.093 -0.404 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.480 0.584 0.951 1.00 0.00 H new ATOM 0 HG LEU A 1 0.639 1.474 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.800 2.784 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.875 1.034 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.362 2.012 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.669 3.712 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.266 2.976 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.380 2.640 -0.843 1.00 0.00 H new ATOM 20 N LYS A 2 2.972 -2.391 -1.680 1.00 0.00 N ATOM 21 CA LYS A 2 3.729 -3.627 -1.834 1.00 0.00 C ATOM 22 C LYS A 2 4.876 -3.443 -2.823 1.00 0.00 C ATOM 23 O LYS A 2 6.035 -3.701 -2.498 1.00 0.00 O ATOM 24 CB LYS A 2 2.810 -4.756 -2.308 1.00 0.00 C ATOM 25 CG LYS A 2 3.535 -6.069 -2.551 1.00 0.00 C ATOM 26 CD LYS A 2 3.380 -6.533 -3.990 1.00 0.00 C ATOM 27 CE LYS A 2 3.962 -7.923 -4.193 1.00 0.00 C ATOM 28 NZ LYS A 2 5.091 -7.916 -5.163 1.00 0.00 N ATOM 0 H LYS A 2 2.170 -2.308 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 2 4.148 -3.890 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.029 -4.914 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.315 -4.448 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.593 -5.950 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.144 -6.832 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.324 -6.536 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.877 -5.828 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.308 -8.315 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.181 -8.595 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.460 -8.882 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.756 -7.566 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.847 -7.295 -4.811 1.00 0.00 H new ATOM 42 N SER A 3 4.545 -2.995 -4.030 1.00 0.00 N ATOM 43 CA SER A 3 5.548 -2.778 -5.066 1.00 0.00 C ATOM 44 C SER A 3 4.921 -2.147 -6.305 1.00 0.00 C ATOM 45 O SER A 3 3.745 -1.781 -6.304 1.00 0.00 O ATOM 46 CB SER A 3 6.222 -4.100 -5.438 1.00 0.00 C ATOM 47 OG SER A 3 7.633 -3.971 -5.438 1.00 0.00 O ATOM 0 H SER A 3 3.590 -2.775 -4.314 1.00 0.00 H new ATOM 0 HA SER A 3 6.300 -2.094 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.925 -4.875 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.883 -4.420 -6.423 1.00 0.00 H new ATOM 0 HG SER A 3 8.043 -4.858 -5.519 1.00 0.00 H new ATOM 53 N THR A 4 5.714 -2.023 -7.365 1.00 0.00 N ATOM 54 CA THR A 4 5.239 -1.436 -8.611 1.00 0.00 C ATOM 55 C THR A 4 3.967 -2.124 -9.093 1.00 0.00 C ATOM 56 O THR A 4 3.141 -1.516 -9.774 1.00 0.00 O ATOM 57 CB THR A 4 6.308 -1.524 -9.717 1.00 0.00 C ATOM 58 OG1 THR A 4 5.875 -0.803 -10.876 1.00 0.00 O ATOM 59 CG2 THR A 4 6.584 -2.973 -10.089 1.00 0.00 C ATOM 0 H THR A 4 6.689 -2.322 -7.385 1.00 0.00 H new ATOM 0 HA THR A 4 5.026 -0.387 -8.405 1.00 0.00 H new ATOM 0 HB THR A 4 7.229 -1.081 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.561 -0.863 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.342 -3.010 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.942 -3.512 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.666 -3.437 -10.451 1.00 0.00 H new ATOM 67 N PHE A 5 3.816 -3.395 -8.736 1.00 0.00 N ATOM 68 CA PHE A 5 2.644 -4.166 -9.133 1.00 0.00 C ATOM 69 C PHE A 5 1.361 -3.392 -8.845 1.00 0.00 C ATOM 70 O PHE A 5 0.376 -3.508 -9.575 1.00 0.00 O ATOM 71 CB PHE A 5 2.618 -5.509 -8.400 1.00 0.00 C ATOM 72 CG PHE A 5 1.539 -6.435 -8.882 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.220 -6.507 -10.229 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.843 -7.234 -7.990 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.227 -7.358 -10.676 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.151 -8.088 -8.431 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.459 -8.150 -9.776 1.00 0.00 C ATOM 0 H PHE A 5 4.491 -3.913 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 5 2.706 -4.347 -10.206 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.585 -5.998 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.481 -5.329 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.754 -5.891 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.080 -7.189 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.012 -7.404 -11.728 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.686 -8.706 -7.725 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.235 -8.816 -10.123 1.00 0.00 H new ATOM 87 N ASP A 6 1.380 -2.604 -7.775 1.00 0.00 N ATOM 88 CA ASP A 6 0.219 -1.811 -7.390 1.00 0.00 C ATOM 89 C ASP A 6 -0.202 -0.878 -8.521 1.00 0.00 C ATOM 90 O ASP A 6 -1.193 -1.126 -9.208 1.00 0.00 O ATOM 91 CB ASP A 6 0.524 -0.999 -6.130 1.00 0.00 C ATOM 92 CG ASP A 6 -0.170 -1.554 -4.902 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.277 -2.601 -4.390 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.161 -0.940 -4.452 1.00 0.00 O ATOM 0 H ASP A 6 2.186 -2.498 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.604 -2.495 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.601 -0.987 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.214 0.035 -6.283 1.00 0.00 H new ATOM 99 N ASP A 7 0.557 0.197 -8.708 1.00 0.00 N ATOM 100 CA ASP A 7 0.263 1.168 -9.756 1.00 0.00 C ATOM 101 C ASP A 7 0.091 0.476 -11.104 1.00 0.00 C ATOM 102 O ASP A 7 -0.638 0.958 -11.972 1.00 0.00 O ATOM 103 CB ASP A 7 1.379 2.210 -9.842 1.00 0.00 C ATOM 104 CG ASP A 7 1.367 3.169 -8.667 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.963 2.834 -7.623 1.00 0.00 O ATOM 106 OD2 ASP A 7 0.760 4.254 -8.793 1.00 0.00 O ATOM 0 H ASP A 7 1.380 0.418 -8.148 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.672 1.668 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.343 1.703 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.275 2.774 -10.769 1.00 0.00 H new ATOM 111 N ILE A 8 0.768 -0.655 -11.274 1.00 0.00 N ATOM 112 CA ILE A 8 0.689 -1.412 -12.517 1.00 0.00 C ATOM 113 C ILE A 8 -0.669 -2.088 -12.665 1.00 0.00 C ATOM 114 O ILE A 8 -1.216 -2.176 -13.764 1.00 0.00 O ATOM 115 CB ILE A 8 1.794 -2.483 -12.594 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.136 -1.838 -12.944 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.429 -3.547 -13.619 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.298 -2.807 -12.917 1.00 0.00 C ATOM 0 H ILE A 8 1.377 -1.067 -10.567 1.00 0.00 H new ATOM 0 HA ILE A 8 0.827 -0.699 -13.330 1.00 0.00 H new ATOM 0 HB ILE A 8 1.885 -2.961 -11.619 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.068 -1.393 -13.937 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.334 -1.027 -12.243 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.219 -4.297 -13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.492 -4.023 -13.331 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.314 -3.084 -14.599 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.217 -2.281 -13.175 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.393 -3.234 -11.919 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.123 -3.605 -13.638 1.00 0.00 H new ATOM 130 N LYS A 9 -1.212 -2.563 -11.549 1.00 0.00 N ATOM 131 CA LYS A 9 -2.509 -3.229 -11.551 1.00 0.00 C ATOM 132 C LYS A 9 -3.629 -2.237 -11.851 1.00 0.00 C ATOM 133 O LYS A 9 -4.688 -2.613 -12.355 1.00 0.00 O ATOM 134 CB LYS A 9 -2.761 -3.905 -10.202 1.00 0.00 C ATOM 135 CG LYS A 9 -3.548 -3.046 -9.227 1.00 0.00 C ATOM 136 CD LYS A 9 -3.270 -3.440 -7.786 1.00 0.00 C ATOM 137 CE LYS A 9 -4.242 -4.505 -7.303 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.651 -4.282 -5.888 1.00 0.00 N ATOM 0 H LYS A 9 -0.773 -2.499 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.499 -3.987 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.300 -4.838 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.803 -4.166 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.290 -1.997 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.614 -3.144 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.249 -3.812 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.344 -2.561 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.126 -4.506 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.780 -5.488 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.314 -5.029 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.811 -4.306 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.115 -3.355 -5.803 1.00 0.00 H new ATOM 152 N LYS A 10 -3.388 -0.968 -11.540 1.00 0.00 N ATOM 153 CA LYS A 10 -4.375 0.079 -11.778 1.00 0.00 C ATOM 154 C LYS A 10 -4.421 0.456 -13.255 1.00 0.00 C ATOM 155 O LYS A 10 -5.493 0.498 -13.861 1.00 0.00 O ATOM 156 CB LYS A 10 -4.051 1.315 -10.935 1.00 0.00 C ATOM 157 CG LYS A 10 -3.514 0.985 -9.553 1.00 0.00 C ATOM 158 CD LYS A 10 -3.667 2.159 -8.601 1.00 0.00 C ATOM 159 CE LYS A 10 -4.914 2.019 -7.740 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.016 3.109 -6.731 1.00 0.00 N ATOM 0 H LYS A 10 -2.517 -0.639 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.353 -0.305 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.318 1.924 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.952 1.920 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.043 0.120 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.462 0.710 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.787 2.227 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.719 3.087 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.798 2.030 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.899 1.054 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.878 2.978 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.185 3.083 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.056 4.028 -7.216 1.00 0.00 H new ATOM 174 N ILE A 11 -3.254 0.728 -13.829 1.00 0.00 N ATOM 175 CA ILE A 11 -3.163 1.099 -15.236 1.00 0.00 C ATOM 176 C ILE A 11 -3.728 0.002 -16.131 1.00 0.00 C ATOM 177 O ILE A 11 -4.392 0.282 -17.130 1.00 0.00 O ATOM 178 CB ILE A 11 -1.708 1.385 -15.649 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.804 0.212 -15.261 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.218 2.674 -15.007 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.659 0.454 -15.556 1.00 0.00 C ATOM 0 H ILE A 11 -2.358 0.698 -13.342 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.753 2.007 -15.362 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.671 1.505 -16.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.923 0.009 -14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.131 -0.680 -15.795 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.188 2.862 -15.309 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.848 3.503 -15.329 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.267 2.582 -13.922 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.240 -0.418 -15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.791 0.628 -16.624 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.002 1.327 -15.001 1.00 0.00 H new ATOM 193 N ILE A 12 -3.463 -1.248 -15.765 1.00 0.00 N ATOM 194 CA ILE A 12 -3.948 -2.387 -16.534 1.00 0.00 C ATOM 195 C ILE A 12 -5.420 -2.659 -16.246 1.00 0.00 C ATOM 196 O ILE A 12 -6.130 -3.230 -17.073 1.00 0.00 O ATOM 197 CB ILE A 12 -3.134 -3.659 -16.230 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.404 -4.133 -14.800 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.649 -3.400 -16.436 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.664 -5.401 -14.435 1.00 0.00 C ATOM 0 H ILE A 12 -2.915 -1.497 -14.941 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.828 -2.131 -17.587 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.445 -4.445 -16.919 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.121 -3.343 -14.104 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.474 -4.298 -14.676 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.087 -4.308 -16.217 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.471 -3.104 -17.470 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.323 -2.602 -15.769 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.902 -5.679 -13.408 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.965 -6.204 -15.107 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.591 -5.235 -14.526 1.00 0.00 H new ATOM 212 N SER A 13 -5.873 -2.243 -15.067 1.00 0.00 N ATOM 213 CA SER A 13 -7.262 -2.443 -14.668 1.00 0.00 C ATOM 214 C SER A 13 -8.173 -1.421 -15.342 1.00 0.00 C ATOM 215 O SER A 13 -9.384 -1.619 -15.437 1.00 0.00 O ATOM 216 CB SER A 13 -7.397 -2.339 -13.148 1.00 0.00 C ATOM 217 OG SER A 13 -7.115 -3.580 -12.525 1.00 0.00 O ATOM 0 H SER A 13 -5.299 -1.766 -14.372 1.00 0.00 H new ATOM 0 HA SER A 13 -7.566 -3.440 -14.986 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.716 -1.576 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.407 -2.020 -12.890 1.00 0.00 H new ATOM 0 HG SER A 13 -6.167 -3.614 -12.277 1.00 0.00 H new ATOM 223 N LYS A 14 -7.581 -0.328 -15.810 1.00 0.00 N ATOM 224 CA LYS A 14 -8.336 0.726 -16.477 1.00 0.00 C ATOM 225 C LYS A 14 -8.034 0.749 -17.972 1.00 0.00 C ATOM 226 O LYS A 14 -8.823 1.261 -18.766 1.00 0.00 O ATOM 227 CB LYS A 14 -8.009 2.087 -15.858 1.00 0.00 C ATOM 228 CG LYS A 14 -6.645 2.623 -16.257 1.00 0.00 C ATOM 229 CD LYS A 14 -5.981 3.367 -15.109 1.00 0.00 C ATOM 230 CE LYS A 14 -6.708 4.665 -14.793 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.825 4.892 -13.325 1.00 0.00 N ATOM 0 H LYS A 14 -6.579 -0.149 -15.740 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.398 0.519 -16.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.774 2.805 -16.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.054 2.004 -14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.007 1.798 -16.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.751 3.291 -17.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.965 2.732 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.944 3.583 -15.365 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.175 5.500 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.703 4.641 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.326 5.786 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.355 4.108 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.875 4.940 -12.904 1.00 0.00 H new ATOM 245 N GLN A 15 -6.888 0.191 -18.348 1.00 0.00 N ATOM 246 CA GLN A 15 -6.483 0.147 -19.749 1.00 0.00 C ATOM 247 C GLN A 15 -6.752 -1.228 -20.350 1.00 0.00 C ATOM 248 O GLN A 15 -6.920 -1.365 -21.563 1.00 0.00 O ATOM 249 CB GLN A 15 -5.000 0.496 -19.884 1.00 0.00 C ATOM 250 CG GLN A 15 -4.524 0.580 -21.325 1.00 0.00 C ATOM 251 CD GLN A 15 -5.165 1.725 -22.085 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.804 1.519 -23.117 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.998 2.940 -21.578 1.00 0.00 N ATOM 0 H GLN A 15 -6.224 -0.237 -17.703 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.073 0.883 -20.295 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.814 1.451 -19.392 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.409 -0.254 -19.358 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.441 0.700 -21.339 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.747 -0.358 -21.833 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.461 3.065 -20.720 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.407 3.749 -22.046 1.00 0.00 H new ATOM 262 N LEU A 16 -6.790 -2.245 -19.496 1.00 0.00 N ATOM 263 CA LEU A 16 -7.037 -3.611 -19.944 1.00 0.00 C ATOM 264 C LEU A 16 -8.146 -4.260 -19.122 1.00 0.00 C ATOM 265 O LEU A 16 -8.311 -5.480 -19.137 1.00 0.00 O ATOM 266 CB LEU A 16 -5.757 -4.442 -19.841 1.00 0.00 C ATOM 267 CG LEU A 16 -4.836 -4.409 -21.061 1.00 0.00 C ATOM 268 CD1 LEU A 16 -3.565 -3.634 -20.749 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.502 -5.822 -21.516 1.00 0.00 C ATOM 0 H LEU A 16 -6.653 -2.149 -18.490 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.355 -3.574 -20.986 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.192 -4.097 -18.975 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.035 -5.478 -19.648 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.358 -3.901 -21.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.922 -3.621 -21.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.821 -2.611 -20.472 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.040 -4.113 -19.923 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.846 -5.779 -22.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.000 -6.355 -20.709 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.421 -6.346 -21.781 1.00 0.00 H new ATOM 281 N SER A 17 -8.906 -3.437 -18.407 1.00 0.00 N ATOM 282 CA SER A 17 -9.999 -3.931 -17.578 1.00 0.00 C ATOM 283 C SER A 17 -9.463 -4.617 -16.325 1.00 0.00 C ATOM 284 O SER A 17 -9.708 -4.170 -15.205 1.00 0.00 O ATOM 285 CB SER A 17 -10.871 -4.904 -18.373 1.00 0.00 C ATOM 286 OG SER A 17 -12.220 -4.848 -17.944 1.00 0.00 O ATOM 0 H SER A 17 -8.785 -2.424 -18.385 1.00 0.00 H new ATOM 0 HA SER A 17 -10.605 -3.078 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.814 -4.664 -19.435 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.490 -5.918 -18.254 1.00 0.00 H new ATOM 0 HG SER A 17 -12.757 -5.478 -18.469 1.00 0.00 H new ATOM 292 N VAL A 18 -8.729 -5.708 -16.524 1.00 0.00 N ATOM 293 CA VAL A 18 -8.157 -6.457 -15.411 1.00 0.00 C ATOM 294 C VAL A 18 -7.321 -7.630 -15.911 1.00 0.00 C ATOM 295 O VAL A 18 -7.848 -8.575 -16.497 1.00 0.00 O ATOM 296 CB VAL A 18 -9.253 -6.987 -14.468 1.00 0.00 C ATOM 297 CG1 VAL A 18 -10.317 -7.737 -15.255 1.00 0.00 C ATOM 298 CG2 VAL A 18 -8.646 -7.877 -13.394 1.00 0.00 C ATOM 0 H VAL A 18 -8.517 -6.092 -17.445 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.518 -5.767 -14.860 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.729 -6.138 -13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.083 -8.104 -14.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.772 -7.066 -15.983 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.860 -8.579 -15.774 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.434 -8.243 -12.736 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.143 -8.723 -13.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.925 -7.304 -12.812 1.00 0.00 H new ATOM 308 N GLU A 19 -6.014 -7.562 -15.675 1.00 0.00 N ATOM 309 CA GLU A 19 -5.105 -8.619 -16.102 1.00 0.00 C ATOM 310 C GLU A 19 -3.943 -8.765 -15.124 1.00 0.00 C ATOM 311 O GLU A 19 -2.934 -9.398 -15.434 1.00 0.00 O ATOM 312 CB GLU A 19 -4.571 -8.327 -17.506 1.00 0.00 C ATOM 313 CG GLU A 19 -4.258 -6.859 -17.744 1.00 0.00 C ATOM 314 CD GLU A 19 -3.122 -6.658 -18.728 1.00 0.00 C ATOM 315 OE1 GLU A 19 -2.890 -7.561 -19.558 1.00 0.00 O ATOM 316 OE2 GLU A 19 -2.465 -5.597 -18.667 1.00 0.00 O ATOM 0 H GLU A 19 -5.562 -6.787 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.662 -9.556 -16.121 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.668 -8.914 -17.672 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.305 -8.657 -18.241 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.150 -6.357 -18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.000 -6.388 -16.796 1.00 0.00 H new ATOM 323 N GLU A 20 -4.093 -8.173 -13.943 1.00 0.00 N ATOM 324 CA GLU A 20 -3.055 -8.237 -12.921 1.00 0.00 C ATOM 325 C GLU A 20 -2.718 -9.684 -12.576 1.00 0.00 C ATOM 326 O GLU A 20 -1.627 -9.980 -12.090 1.00 0.00 O ATOM 327 CB GLU A 20 -3.503 -7.492 -11.661 1.00 0.00 C ATOM 328 CG GLU A 20 -4.499 -8.268 -10.816 1.00 0.00 C ATOM 329 CD GLU A 20 -5.320 -7.371 -9.911 1.00 0.00 C ATOM 330 OE1 GLU A 20 -5.164 -6.135 -10.002 1.00 0.00 O ATOM 331 OE2 GLU A 20 -6.117 -7.904 -9.111 1.00 0.00 O ATOM 0 H GLU A 20 -4.922 -7.645 -13.671 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.160 -7.759 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.627 -7.262 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.949 -6.541 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.168 -8.827 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.964 -8.998 -10.209 1.00 0.00 H new ATOM 338 N ASP A 21 -3.664 -10.582 -12.830 1.00 0.00 N ATOM 339 CA ASP A 21 -3.469 -11.999 -12.547 1.00 0.00 C ATOM 340 C ASP A 21 -2.768 -12.694 -13.711 1.00 0.00 C ATOM 341 O ASP A 21 -2.704 -13.922 -13.767 1.00 0.00 O ATOM 342 CB ASP A 21 -4.812 -12.675 -12.269 1.00 0.00 C ATOM 343 CG ASP A 21 -4.873 -13.295 -10.886 1.00 0.00 C ATOM 344 OD1 ASP A 21 -4.374 -12.664 -9.932 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.419 -14.411 -10.760 1.00 0.00 O ATOM 0 H ASP A 21 -4.573 -10.353 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.838 -12.084 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.612 -11.942 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.989 -13.447 -13.018 1.00 0.00 H new ATOM 350 N LYS A 22 -2.243 -11.899 -14.638 1.00 0.00 N ATOM 351 CA LYS A 22 -1.546 -12.436 -15.800 1.00 0.00 C ATOM 352 C LYS A 22 -0.727 -11.351 -16.492 1.00 0.00 C ATOM 353 O LYS A 22 -0.431 -11.449 -17.684 1.00 0.00 O ATOM 354 CB LYS A 22 -2.547 -13.042 -16.787 1.00 0.00 C ATOM 355 CG LYS A 22 -3.744 -12.148 -17.064 1.00 0.00 C ATOM 356 CD LYS A 22 -3.564 -11.360 -18.351 1.00 0.00 C ATOM 357 CE LYS A 22 -3.533 -12.275 -19.566 1.00 0.00 C ATOM 358 NZ LYS A 22 -2.257 -12.148 -20.323 1.00 0.00 N ATOM 0 H LYS A 22 -2.287 -10.880 -14.607 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.867 -13.216 -15.456 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.036 -13.253 -17.727 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.899 -13.996 -16.395 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.646 -12.756 -17.132 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.886 -11.459 -16.231 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.377 -10.642 -18.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.638 -10.788 -18.302 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.664 -13.309 -19.246 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.370 -12.036 -20.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.078 -13.025 -20.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.325 -11.351 -20.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.475 -11.979 -19.659 1.00 0.00 H new ATOM 372 N ILE A 23 -0.363 -10.320 -15.739 1.00 0.00 N ATOM 373 CA ILE A 23 0.424 -9.218 -16.280 1.00 0.00 C ATOM 374 C ILE A 23 1.863 -9.273 -15.779 1.00 0.00 C ATOM 375 O ILE A 23 2.778 -8.781 -16.438 1.00 0.00 O ATOM 376 CB ILE A 23 -0.187 -7.854 -15.908 1.00 0.00 C ATOM 377 CG1 ILE A 23 -0.169 -6.916 -17.117 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.568 -7.237 -14.740 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.192 -6.793 -17.765 1.00 0.00 C ATOM 0 H ILE A 23 -0.600 -10.224 -14.752 1.00 0.00 H new ATOM 0 HA ILE A 23 0.415 -9.326 -17.365 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.223 -8.006 -15.606 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.884 -7.276 -17.857 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.505 -5.927 -16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.125 -6.273 -14.489 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.508 -7.900 -13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.613 -7.095 -15.017 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.130 -6.113 -18.615 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.906 -6.404 -17.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.521 -7.774 -18.108 1.00 0.00 H new ATOM 391 N GLN A 24 2.054 -9.875 -14.609 1.00 0.00 N ATOM 392 CA GLN A 24 3.383 -9.994 -14.020 1.00 0.00 C ATOM 393 C GLN A 24 3.895 -11.428 -14.118 1.00 0.00 C ATOM 394 O GLN A 24 3.369 -12.330 -13.468 1.00 0.00 O ATOM 395 CB GLN A 24 3.357 -9.548 -12.557 1.00 0.00 C ATOM 396 CG GLN A 24 2.266 -10.217 -11.737 1.00 0.00 C ATOM 397 CD GLN A 24 2.812 -10.955 -10.530 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.858 -10.594 -9.989 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.106 -11.994 -10.102 1.00 0.00 N ATOM 0 H GLN A 24 1.306 -10.287 -14.051 1.00 0.00 H new ATOM 0 HA GLN A 24 4.060 -9.347 -14.578 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.324 -9.763 -12.103 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.219 -8.468 -12.517 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.553 -9.463 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.719 -10.917 -12.369 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.245 -12.258 -10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.424 -12.529 -9.294 1.00 0.00 H new ATOM 408 N MET A 25 4.923 -11.629 -14.936 1.00 0.00 N ATOM 409 CA MET A 25 5.506 -12.953 -15.118 1.00 0.00 C ATOM 410 C MET A 25 6.979 -12.958 -14.722 1.00 0.00 C ATOM 411 O MET A 25 7.657 -13.979 -14.828 1.00 0.00 O ATOM 412 CB MET A 25 5.356 -13.404 -16.573 1.00 0.00 C ATOM 413 CG MET A 25 4.051 -14.131 -16.852 1.00 0.00 C ATOM 414 SD MET A 25 4.167 -15.905 -16.553 1.00 0.00 S ATOM 415 CE MET A 25 3.202 -16.543 -17.920 1.00 0.00 C ATOM 0 H MET A 25 5.369 -10.893 -15.483 1.00 0.00 H new ATOM 0 HA MET A 25 4.972 -13.650 -14.472 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.423 -12.532 -17.224 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.189 -14.058 -16.830 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.265 -13.711 -16.225 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.758 -13.959 -17.888 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.180 -17.632 -17.873 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.185 -16.157 -17.859 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.653 -16.230 -18.861 1.00 0.00 H new ATOM 425 N ASN A 26 7.468 -11.809 -14.264 1.00 0.00 N ATOM 426 CA ASN A 26 8.861 -11.682 -13.852 1.00 0.00 C ATOM 427 C ASN A 26 9.797 -11.824 -15.048 1.00 0.00 C ATOM 428 O ASN A 26 11.010 -11.953 -14.888 1.00 0.00 O ATOM 429 CB ASN A 26 9.201 -12.736 -12.796 1.00 0.00 C ATOM 430 CG ASN A 26 8.046 -12.999 -11.849 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.240 -13.904 -12.071 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.960 -12.207 -10.787 1.00 0.00 N ATOM 0 H ASN A 26 6.920 -10.954 -14.169 1.00 0.00 H new ATOM 0 HA ASN A 26 8.997 -10.690 -13.422 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.480 -13.666 -13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.069 -12.407 -12.224 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.204 -12.336 -10.115 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.650 -11.470 -10.643 1.00 0.00 H new ATOM 439 N SER A 27 9.224 -11.798 -16.247 1.00 0.00 N ATOM 440 CA SER A 27 10.006 -11.927 -17.471 1.00 0.00 C ATOM 441 C SER A 27 9.813 -10.710 -18.370 1.00 0.00 C ATOM 442 O SER A 27 10.685 -9.848 -18.463 1.00 0.00 O ATOM 443 CB SER A 27 9.610 -13.199 -18.223 1.00 0.00 C ATOM 444 OG SER A 27 10.117 -14.353 -17.575 1.00 0.00 O ATOM 0 H SER A 27 8.221 -11.689 -16.397 1.00 0.00 H new ATOM 0 HA SER A 27 11.059 -11.990 -17.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.524 -13.263 -18.289 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.990 -13.155 -19.244 1.00 0.00 H new ATOM 0 HG SER A 27 9.849 -15.153 -18.074 1.00 0.00 H new ATOM 450 N ASN A 28 8.662 -10.648 -19.032 1.00 0.00 N ATOM 451 CA ASN A 28 8.352 -9.538 -19.925 1.00 0.00 C ATOM 452 C ASN A 28 6.884 -9.139 -19.809 1.00 0.00 C ATOM 453 O ASN A 28 6.042 -9.940 -19.401 1.00 0.00 O ATOM 454 CB ASN A 28 8.676 -9.914 -21.372 1.00 0.00 C ATOM 455 CG ASN A 28 9.420 -11.232 -21.474 1.00 0.00 C ATOM 456 OD1 ASN A 28 8.847 -12.253 -21.854 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.703 -11.215 -21.133 1.00 0.00 N ATOM 0 H ASN A 28 7.929 -11.354 -18.967 1.00 0.00 H new ATOM 0 HA ASN A 28 8.966 -8.687 -19.631 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.750 -9.977 -21.944 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.277 -9.125 -21.824 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.255 -12.072 -21.181 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.137 -10.345 -20.824 1.00 0.00 H new ATOM 464 N PHE A 29 6.584 -7.896 -20.171 1.00 0.00 N ATOM 465 CA PHE A 29 5.218 -7.390 -20.106 1.00 0.00 C ATOM 466 C PHE A 29 4.479 -7.651 -21.416 1.00 0.00 C ATOM 467 O PHE A 29 3.332 -8.099 -21.417 1.00 0.00 O ATOM 468 CB PHE A 29 5.220 -5.891 -19.800 1.00 0.00 C ATOM 469 CG PHE A 29 4.869 -5.570 -18.375 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.694 -5.970 -17.337 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.712 -4.868 -18.075 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.373 -5.676 -16.025 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.387 -4.571 -16.765 1.00 0.00 C ATOM 474 CZ PHE A 29 4.217 -4.976 -15.739 1.00 0.00 C ATOM 0 H PHE A 29 7.268 -7.221 -20.512 1.00 0.00 H new ATOM 0 HA PHE A 29 4.700 -7.917 -19.304 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.206 -5.484 -20.024 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.512 -5.392 -20.462 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.599 -6.518 -17.555 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.058 -4.550 -18.873 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.025 -5.993 -15.225 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.484 -4.022 -16.544 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.963 -4.746 -14.715 1.00 0.00 H new ATOM 484 N THR A 30 5.145 -7.368 -22.531 1.00 0.00 N ATOM 485 CA THR A 30 4.553 -7.570 -23.847 1.00 0.00 C ATOM 486 C THR A 30 5.332 -8.607 -24.647 1.00 0.00 C ATOM 487 O THR A 30 5.086 -8.801 -25.838 1.00 0.00 O ATOM 488 CB THR A 30 4.500 -6.255 -24.647 1.00 0.00 C ATOM 489 OG1 THR A 30 3.931 -6.490 -25.940 1.00 0.00 O ATOM 490 CG2 THR A 30 5.891 -5.658 -24.800 1.00 0.00 C ATOM 0 H THR A 30 6.095 -6.998 -22.549 1.00 0.00 H new ATOM 0 HA THR A 30 3.537 -7.929 -23.684 1.00 0.00 H new ATOM 0 HB THR A 30 3.877 -5.548 -24.100 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.243 -7.354 -26.283 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.828 -4.730 -25.368 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.309 -5.452 -23.815 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.534 -6.363 -25.327 1.00 0.00 H new ATOM 498 N LYS A 31 6.272 -9.273 -23.986 1.00 0.00 N ATOM 499 CA LYS A 31 7.087 -10.294 -24.635 1.00 0.00 C ATOM 500 C LYS A 31 6.887 -11.653 -23.972 1.00 0.00 C ATOM 501 O LYS A 31 7.324 -12.679 -24.494 1.00 0.00 O ATOM 502 CB LYS A 31 8.566 -9.903 -24.584 1.00 0.00 C ATOM 503 CG LYS A 31 8.797 -8.437 -24.259 1.00 0.00 C ATOM 504 CD LYS A 31 10.279 -8.108 -24.192 1.00 0.00 C ATOM 505 CE LYS A 31 10.724 -7.297 -25.400 1.00 0.00 C ATOM 506 NZ LYS A 31 12.180 -6.987 -25.353 1.00 0.00 N ATOM 0 H LYS A 31 6.489 -9.124 -23.000 1.00 0.00 H new ATOM 0 HA LYS A 31 6.772 -10.367 -25.676 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.070 -10.516 -23.836 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.027 -10.130 -25.545 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.319 -7.816 -25.017 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.326 -8.196 -23.306 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.488 -7.549 -23.280 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.856 -9.031 -24.139 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.500 -7.850 -26.312 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.156 -6.368 -25.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.444 -6.434 -26.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.390 -6.437 -24.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.723 -7.874 -25.338 1.00 0.00 H new ATOM 520 N ASP A 32 6.222 -11.653 -22.822 1.00 0.00 N ATOM 521 CA ASP A 32 5.961 -12.886 -22.089 1.00 0.00 C ATOM 522 C ASP A 32 4.511 -13.326 -22.265 1.00 0.00 C ATOM 523 O ASP A 32 4.235 -14.369 -22.859 1.00 0.00 O ATOM 524 CB ASP A 32 6.274 -12.699 -20.604 1.00 0.00 C ATOM 525 CG ASP A 32 6.816 -13.961 -19.962 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.951 -14.356 -20.299 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.104 -14.553 -19.124 1.00 0.00 O ATOM 0 H ASP A 32 5.854 -10.812 -22.377 1.00 0.00 H new ATOM 0 HA ASP A 32 6.609 -13.663 -22.493 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.001 -11.895 -20.488 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.369 -12.389 -20.081 1.00 0.00 H new ATOM 532 N LEU A 33 3.588 -12.526 -21.744 1.00 0.00 N ATOM 533 CA LEU A 33 2.166 -12.833 -21.842 1.00 0.00 C ATOM 534 C LEU A 33 1.659 -12.616 -23.264 1.00 0.00 C ATOM 535 O LEU A 33 0.663 -13.210 -23.676 1.00 0.00 O ATOM 536 CB LEU A 33 1.368 -11.965 -20.866 1.00 0.00 C ATOM 537 CG LEU A 33 1.700 -10.472 -20.870 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.455 -9.650 -21.161 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.315 -10.060 -19.541 1.00 0.00 C ATOM 0 H LEU A 33 3.799 -11.659 -21.249 1.00 0.00 H new ATOM 0 HA LEU A 33 2.027 -13.883 -21.582 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.308 -12.082 -21.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.524 -12.349 -19.858 1.00 0.00 H new ATOM 0 HG LEU A 33 2.428 -10.282 -21.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.710 -8.590 -21.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.057 -9.926 -22.137 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.296 -9.843 -20.395 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.545 -8.995 -19.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.610 -10.264 -18.735 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.231 -10.626 -19.373 1.00 0.00 H new ATOM 551 N GLY A 34 2.352 -11.762 -24.011 1.00 0.00 N ATOM 552 CA GLY A 34 1.958 -11.484 -25.379 1.00 0.00 C ATOM 553 C GLY A 34 0.588 -10.842 -25.469 1.00 0.00 C ATOM 554 O GLY A 34 -0.319 -11.385 -26.100 1.00 0.00 O ATOM 0 H GLY A 34 3.180 -11.258 -23.693 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.695 -10.826 -25.839 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.959 -12.413 -25.950 1.00 0.00 H new ATOM 558 N ALA A 35 0.436 -9.684 -24.836 1.00 0.00 N ATOM 559 CA ALA A 35 -0.834 -8.967 -24.847 1.00 0.00 C ATOM 560 C ALA A 35 -0.952 -8.080 -26.082 1.00 0.00 C ATOM 561 O ALA A 35 -1.673 -8.406 -27.025 1.00 0.00 O ATOM 562 CB ALA A 35 -0.982 -8.136 -23.582 1.00 0.00 C ATOM 0 H ALA A 35 1.177 -9.222 -24.309 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.638 -9.702 -24.881 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.934 -7.606 -23.604 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.951 -8.791 -22.711 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.167 -7.415 -23.523 1.00 0.00 H new ATOM 568 N ASP A 36 -0.241 -6.958 -26.068 1.00 0.00 N ATOM 569 CA ASP A 36 -0.266 -6.023 -27.188 1.00 0.00 C ATOM 570 C ASP A 36 0.665 -4.843 -26.931 1.00 0.00 C ATOM 571 O ASP A 36 0.641 -4.196 -25.886 1.00 0.00 O ATOM 572 CB ASP A 36 -1.691 -5.522 -27.428 1.00 0.00 C ATOM 573 CG ASP A 36 -2.201 -5.870 -28.813 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.612 -7.031 -29.018 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.189 -4.982 -29.691 1.00 0.00 O ATOM 0 H ASP A 36 0.360 -6.673 -25.294 1.00 0.00 H new ATOM 0 HA ASP A 36 0.081 -6.549 -28.077 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.356 -5.954 -26.680 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.720 -4.441 -27.294 1.00 0.00 H new ATOM 580 N SER A 37 1.527 -4.542 -27.918 1.00 0.00 N ATOM 581 CA SER A 37 2.530 -3.453 -27.900 1.00 0.00 C ATOM 582 C SER A 37 1.921 -2.092 -27.523 1.00 0.00 C ATOM 583 O SER A 37 2.498 -1.312 -26.763 1.00 0.00 O ATOM 584 CB SER A 37 3.182 -3.419 -29.292 1.00 0.00 C ATOM 585 OG SER A 37 2.239 -3.032 -30.292 1.00 0.00 O ATOM 0 H SER A 37 1.548 -5.072 -28.789 1.00 0.00 H new ATOM 0 HA SER A 37 3.275 -3.650 -27.129 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.019 -2.721 -29.288 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.588 -4.402 -29.531 1.00 0.00 H new ATOM 590 N LEU A 38 0.742 -1.824 -28.073 1.00 0.00 N ATOM 591 CA LEU A 38 0.042 -0.572 -27.811 1.00 0.00 C ATOM 592 C LEU A 38 -0.575 -0.575 -26.416 1.00 0.00 C ATOM 593 O LEU A 38 -0.451 0.395 -25.669 1.00 0.00 O ATOM 594 CB LEU A 38 -1.046 -0.343 -28.861 1.00 0.00 C ATOM 595 CG LEU A 38 -0.652 -0.635 -30.310 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.065 -2.045 -30.702 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.277 0.387 -31.248 1.00 0.00 C ATOM 0 H LEU A 38 0.251 -2.458 -28.704 1.00 0.00 H new ATOM 0 HA LEU A 38 0.768 0.239 -27.866 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.905 -0.964 -28.607 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.373 0.695 -28.796 1.00 0.00 H new ATOM 0 HG LEU A 38 0.432 -0.560 -30.394 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.777 -2.234 -31.736 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.570 -2.764 -30.049 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.145 -2.149 -30.602 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.986 0.164 -32.275 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.363 0.345 -31.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.930 1.385 -30.981 1.00 0.00 H new ATOM 609 N ASP A 39 -1.239 -1.673 -26.071 1.00 0.00 N ATOM 610 CA ASP A 39 -1.873 -1.804 -24.764 1.00 0.00 C ATOM 611 C ASP A 39 -0.842 -1.688 -23.646 1.00 0.00 C ATOM 612 O ASP A 39 -1.108 -1.091 -22.601 1.00 0.00 O ATOM 613 CB ASP A 39 -2.607 -3.142 -24.661 1.00 0.00 C ATOM 614 CG ASP A 39 -4.088 -3.015 -24.960 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.685 -1.989 -24.571 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.650 -3.941 -25.582 1.00 0.00 O ATOM 0 H ASP A 39 -1.352 -2.485 -26.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.594 -0.994 -24.655 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.159 -3.853 -25.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.475 -3.549 -23.658 1.00 0.00 H new ATOM 621 N LEU A 40 0.334 -2.263 -23.871 1.00 0.00 N ATOM 622 CA LEU A 40 1.406 -2.225 -22.882 1.00 0.00 C ATOM 623 C LEU A 40 1.938 -0.806 -22.710 1.00 0.00 C ATOM 624 O LEU A 40 2.091 -0.321 -21.588 1.00 0.00 O ATOM 625 CB LEU A 40 2.542 -3.162 -23.296 1.00 0.00 C ATOM 626 CG LEU A 40 3.187 -3.973 -22.172 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.486 -3.083 -20.975 1.00 0.00 C ATOM 628 CD2 LEU A 40 2.287 -5.131 -21.766 1.00 0.00 C ATOM 0 H LEU A 40 0.570 -2.761 -24.729 1.00 0.00 H new ATOM 0 HA LEU A 40 0.999 -2.558 -21.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.159 -3.856 -24.044 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.318 -2.568 -23.780 1.00 0.00 H new ATOM 0 HG LEU A 40 4.128 -4.382 -22.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.945 -3.678 -20.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.169 -2.288 -21.274 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.558 -2.645 -20.607 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.762 -5.697 -20.965 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.330 -4.743 -21.418 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.124 -5.783 -22.624 1.00 0.00 H new ATOM 640 N VAL A 41 2.218 -0.145 -23.828 1.00 0.00 N ATOM 641 CA VAL A 41 2.730 1.220 -23.801 1.00 0.00 C ATOM 642 C VAL A 41 1.681 2.191 -23.271 1.00 0.00 C ATOM 643 O VAL A 41 2.009 3.282 -22.809 1.00 0.00 O ATOM 644 CB VAL A 41 3.177 1.679 -25.202 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.676 3.115 -25.159 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.249 0.750 -25.750 1.00 0.00 C ATOM 0 H VAL A 41 2.099 -0.532 -24.764 1.00 0.00 H new ATOM 0 HA VAL A 41 3.592 1.221 -23.133 1.00 0.00 H new ATOM 0 HB VAL A 41 2.317 1.638 -25.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.987 3.422 -26.157 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.875 3.768 -24.812 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.523 3.185 -24.477 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.553 1.089 -26.740 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.112 0.757 -25.084 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.852 -0.263 -25.819 1.00 0.00 H new ATOM 656 N GLU A 42 0.417 1.784 -23.342 1.00 0.00 N ATOM 657 CA GLU A 42 -0.681 2.619 -22.868 1.00 0.00 C ATOM 658 C GLU A 42 -0.722 2.651 -21.343 1.00 0.00 C ATOM 659 O GLU A 42 -0.511 3.696 -20.727 1.00 0.00 O ATOM 660 CB GLU A 42 -2.015 2.104 -23.415 1.00 0.00 C ATOM 661 CG GLU A 42 -2.581 2.955 -24.539 1.00 0.00 C ATOM 662 CD GLU A 42 -1.512 3.443 -25.497 1.00 0.00 C ATOM 663 OE1 GLU A 42 -1.219 2.722 -26.475 1.00 0.00 O ATOM 664 OE2 GLU A 42 -0.968 4.543 -25.270 1.00 0.00 O ATOM 0 H GLU A 42 0.128 0.883 -23.723 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.515 3.633 -23.230 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.881 1.084 -23.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.740 2.062 -22.602 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.321 2.375 -25.091 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.101 3.813 -24.113 1.00 0.00 H new ATOM 671 N LEU A 43 -0.995 1.499 -20.741 1.00 0.00 N ATOM 672 CA LEU A 43 -1.065 1.393 -19.287 1.00 0.00 C ATOM 673 C LEU A 43 0.180 1.990 -18.638 1.00 0.00 C ATOM 674 O LEU A 43 0.096 2.645 -17.599 1.00 0.00 O ATOM 675 CB LEU A 43 -1.221 -0.070 -18.869 1.00 0.00 C ATOM 676 CG LEU A 43 -0.120 -1.023 -19.337 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.876 -1.278 -18.217 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.720 -2.332 -19.828 1.00 0.00 C ATOM 0 H LEU A 43 -1.172 0.625 -21.236 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.935 1.955 -18.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.272 -0.113 -17.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.175 -0.435 -19.248 1.00 0.00 H new ATOM 0 HG LEU A 43 0.410 -0.556 -20.167 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.652 -1.958 -18.568 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.330 -0.335 -17.912 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.361 -1.724 -17.366 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.078 -2.997 -20.157 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.275 -2.804 -19.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.393 -2.133 -20.662 1.00 0.00 H new ATOM 690 N ILE A 44 1.332 1.759 -19.258 1.00 0.00 N ATOM 691 CA ILE A 44 2.593 2.277 -18.742 1.00 0.00 C ATOM 692 C ILE A 44 2.612 3.802 -18.763 1.00 0.00 C ATOM 693 O ILE A 44 2.972 4.442 -17.776 1.00 0.00 O ATOM 694 CB ILE A 44 3.792 1.749 -19.552 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.998 0.256 -19.286 1.00 0.00 C ATOM 696 CG2 ILE A 44 5.050 2.532 -19.208 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.125 -0.351 -20.091 1.00 0.00 C ATOM 0 H ILE A 44 1.418 1.217 -20.118 1.00 0.00 H new ATOM 0 HA ILE A 44 2.679 1.929 -17.712 1.00 0.00 H new ATOM 0 HB ILE A 44 3.582 1.884 -20.613 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.200 0.109 -18.225 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.074 -0.276 -19.512 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.888 2.147 -19.788 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.899 3.585 -19.444 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.266 2.425 -18.145 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.213 -1.411 -19.852 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.916 -0.235 -21.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.059 0.155 -19.848 1.00 0.00 H new ATOM 709 N MET A 45 2.218 4.377 -19.895 1.00 0.00 N ATOM 710 CA MET A 45 2.187 5.827 -20.044 1.00 0.00 C ATOM 711 C MET A 45 1.396 6.473 -18.910 1.00 0.00 C ATOM 712 O MET A 45 1.659 7.613 -18.528 1.00 0.00 O ATOM 713 CB MET A 45 1.573 6.210 -21.392 1.00 0.00 C ATOM 714 CG MET A 45 0.075 6.464 -21.327 1.00 0.00 C ATOM 715 SD MET A 45 -0.323 8.202 -21.061 1.00 0.00 S ATOM 716 CE MET A 45 -2.113 8.145 -21.080 1.00 0.00 C ATOM 0 H MET A 45 1.916 3.861 -20.722 1.00 0.00 H new ATOM 0 HA MET A 45 3.213 6.193 -20.003 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.069 7.105 -21.767 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.767 5.413 -22.110 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.387 6.127 -22.255 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.356 5.869 -20.522 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.511 9.148 -20.927 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.455 7.762 -22.041 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.465 7.490 -20.283 1.00 0.00 H new ATOM 726 N ALA A 46 0.427 5.737 -18.377 1.00 0.00 N ATOM 727 CA ALA A 46 -0.401 6.237 -17.286 1.00 0.00 C ATOM 728 C ALA A 46 0.325 6.123 -15.950 1.00 0.00 C ATOM 729 O ALA A 46 0.218 7.005 -15.096 1.00 0.00 O ATOM 730 CB ALA A 46 -1.722 5.484 -17.237 1.00 0.00 C ATOM 0 H ALA A 46 0.196 4.792 -18.683 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.604 7.292 -17.471 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.330 5.868 -16.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.254 5.621 -18.178 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.530 4.423 -17.080 1.00 0.00 H new ATOM 736 N LEU A 47 1.062 5.032 -15.773 1.00 0.00 N ATOM 737 CA LEU A 47 1.805 4.802 -14.539 1.00 0.00 C ATOM 738 C LEU A 47 2.783 5.941 -14.272 1.00 0.00 C ATOM 739 O LEU A 47 2.860 6.457 -13.158 1.00 0.00 O ATOM 740 CB LEU A 47 2.560 3.473 -14.616 1.00 0.00 C ATOM 741 CG LEU A 47 2.585 2.641 -13.333 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.246 1.294 -13.583 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.305 3.393 -12.223 1.00 0.00 C ATOM 0 H LEU A 47 1.161 4.293 -16.469 1.00 0.00 H new ATOM 0 HA LEU A 47 1.091 4.761 -13.716 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.115 2.870 -15.408 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.589 3.679 -14.912 1.00 0.00 H new ATOM 0 HG LEU A 47 1.557 2.465 -13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.255 0.716 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.688 0.751 -14.346 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.270 1.449 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.313 2.786 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.330 3.601 -12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.788 4.332 -12.025 1.00 0.00 H new ATOM 755 N GLU A 48 3.527 6.329 -15.304 1.00 0.00 N ATOM 756 CA GLU A 48 4.499 7.409 -15.180 1.00 0.00 C ATOM 757 C GLU A 48 3.799 8.757 -15.033 1.00 0.00 C ATOM 758 O GLU A 48 4.174 9.574 -14.193 1.00 0.00 O ATOM 759 CB GLU A 48 5.426 7.433 -16.397 1.00 0.00 C ATOM 760 CG GLU A 48 4.689 7.544 -17.721 1.00 0.00 C ATOM 761 CD GLU A 48 4.608 8.972 -18.224 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.571 9.736 -18.001 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.582 9.326 -18.842 1.00 0.00 O ATOM 0 H GLU A 48 3.475 5.912 -16.233 1.00 0.00 H new ATOM 0 HA GLU A 48 5.093 7.228 -14.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.114 8.273 -16.302 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.029 6.525 -16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.193 6.928 -18.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.681 7.145 -17.606 1.00 0.00 H new ATOM 770 N GLU A 49 2.781 8.982 -15.858 1.00 0.00 N ATOM 771 CA GLU A 49 2.030 10.231 -15.821 1.00 0.00 C ATOM 772 C GLU A 49 1.551 10.536 -14.405 1.00 0.00 C ATOM 773 O GLU A 49 1.450 11.697 -14.008 1.00 0.00 O ATOM 774 CB GLU A 49 0.834 10.161 -16.772 1.00 0.00 C ATOM 775 CG GLU A 49 0.962 11.073 -17.980 1.00 0.00 C ATOM 776 CD GLU A 49 -0.145 10.857 -18.995 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.143 10.191 -18.651 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.011 11.356 -20.132 1.00 0.00 O ATOM 0 H GLU A 49 2.458 8.316 -16.560 1.00 0.00 H new ATOM 0 HA GLU A 49 2.694 11.034 -16.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.713 9.133 -17.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.071 10.423 -16.224 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.949 12.112 -17.649 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.927 10.903 -18.458 1.00 0.00 H new ATOM 785 N LYS A 50 1.257 9.485 -13.647 1.00 0.00 N ATOM 786 CA LYS A 50 0.789 9.638 -12.275 1.00 0.00 C ATOM 787 C LYS A 50 1.964 9.795 -11.314 1.00 0.00 C ATOM 788 O LYS A 50 1.902 10.576 -10.364 1.00 0.00 O ATOM 789 CB LYS A 50 -0.060 8.433 -11.866 1.00 0.00 C ATOM 790 CG LYS A 50 -0.523 8.476 -10.420 1.00 0.00 C ATOM 791 CD LYS A 50 -1.113 7.146 -9.983 1.00 0.00 C ATOM 792 CE LYS A 50 -2.255 7.340 -8.997 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.582 7.311 -9.672 1.00 0.00 N ATOM 0 H LYS A 50 1.335 8.517 -13.960 1.00 0.00 H new ATOM 0 HA LYS A 50 0.178 10.539 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.933 8.377 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.516 7.522 -12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.318 8.731 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.268 9.263 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.473 6.602 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.335 6.535 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.216 6.558 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.131 8.292 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.334 7.447 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.629 8.073 -10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.712 6.393 -10.144 1.00 0.00 H new ATOM 807 N PHE A 51 3.034 9.049 -11.567 1.00 0.00 N ATOM 808 CA PHE A 51 4.222 9.106 -10.725 1.00 0.00 C ATOM 809 C PHE A 51 4.912 10.461 -10.848 1.00 0.00 C ATOM 810 O PHE A 51 5.782 10.802 -10.048 1.00 0.00 O ATOM 811 CB PHE A 51 5.197 7.989 -11.105 1.00 0.00 C ATOM 812 CG PHE A 51 5.191 6.835 -10.143 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.349 7.048 -8.784 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.027 5.537 -10.599 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.343 5.989 -7.896 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.020 4.474 -9.716 1.00 0.00 C ATOM 817 CZ PHE A 51 5.180 4.700 -8.363 1.00 0.00 C ATOM 0 H PHE A 51 3.102 8.398 -12.349 1.00 0.00 H new ATOM 0 HA PHE A 51 3.909 8.970 -9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.947 7.623 -12.101 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.205 8.400 -11.160 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.479 8.054 -8.413 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.903 5.354 -11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.466 6.170 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.889 3.467 -10.084 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.178 3.870 -7.672 1.00 0.00 H new ATOM 827 N ASN A 52 4.517 11.230 -11.858 1.00 0.00 N ATOM 828 CA ASN A 52 5.098 12.548 -12.088 1.00 0.00 C ATOM 829 C ASN A 52 6.555 12.432 -12.523 1.00 0.00 C ATOM 830 O ASN A 52 7.411 13.193 -12.072 1.00 0.00 O ATOM 831 CB ASN A 52 4.998 13.400 -10.822 1.00 0.00 C ATOM 832 CG ASN A 52 5.173 14.879 -11.105 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.291 15.394 -11.108 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.065 15.571 -11.345 1.00 0.00 N ATOM 0 H ASN A 52 3.797 10.963 -12.530 1.00 0.00 H new ATOM 0 HA ASN A 52 4.536 13.031 -12.888 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.028 13.235 -10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.757 13.077 -10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.120 16.570 -11.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.159 15.103 -11.332 1.00 0.00 H new ATOM 841 N VAL A 53 6.831 11.474 -13.403 1.00 0.00 N ATOM 842 CA VAL A 53 8.184 11.259 -13.901 1.00 0.00 C ATOM 843 C VAL A 53 8.273 11.549 -15.395 1.00 0.00 C ATOM 844 O VAL A 53 7.292 11.954 -16.020 1.00 0.00 O ATOM 845 CB VAL A 53 8.655 9.816 -13.640 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.360 9.718 -12.296 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.480 8.852 -13.707 1.00 0.00 C ATOM 0 H VAL A 53 6.135 10.834 -13.786 1.00 0.00 H new ATOM 0 HA VAL A 53 8.833 11.949 -13.361 1.00 0.00 H new ATOM 0 HB VAL A 53 9.368 9.539 -14.417 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.685 8.691 -12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.227 10.379 -12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.674 10.014 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.831 7.837 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.742 9.125 -12.953 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.024 8.902 -14.696 1.00 0.00 H new ATOM 857 N THR A 54 9.456 11.340 -15.963 1.00 0.00 N ATOM 858 CA THR A 54 9.674 11.579 -17.384 1.00 0.00 C ATOM 859 C THR A 54 10.509 10.466 -18.008 1.00 0.00 C ATOM 860 O THR A 54 11.709 10.629 -18.232 1.00 0.00 O ATOM 861 CB THR A 54 10.376 12.929 -17.625 1.00 0.00 C ATOM 862 OG1 THR A 54 10.712 13.066 -19.011 1.00 0.00 O ATOM 863 CG2 THR A 54 11.636 13.042 -16.780 1.00 0.00 C ATOM 0 H THR A 54 10.278 11.006 -15.461 1.00 0.00 H new ATOM 0 HA THR A 54 8.691 11.599 -17.855 1.00 0.00 H new ATOM 0 HB THR A 54 9.691 13.726 -17.337 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.156 13.927 -19.156 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.115 14.003 -16.967 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.374 12.966 -15.725 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.323 12.238 -17.042 1.00 0.00 H new ATOM 871 N ILE A 55 9.867 9.337 -18.286 1.00 0.00 N ATOM 872 CA ILE A 55 10.552 8.198 -18.885 1.00 0.00 C ATOM 873 C ILE A 55 9.962 7.858 -20.250 1.00 0.00 C ATOM 874 O ILE A 55 10.640 7.957 -21.273 1.00 0.00 O ATOM 875 CB ILE A 55 10.473 6.954 -17.980 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.095 7.357 -16.554 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.798 6.206 -17.992 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.603 7.476 -16.335 1.00 0.00 C ATOM 0 H ILE A 55 8.874 9.186 -18.106 1.00 0.00 H new ATOM 0 HA ILE A 55 11.597 8.485 -19.004 1.00 0.00 H new ATOM 0 HB ILE A 55 9.700 6.290 -18.366 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.499 6.621 -15.858 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.566 8.311 -16.318 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.727 5.329 -17.348 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.029 5.891 -19.010 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.589 6.861 -17.627 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.409 7.765 -15.302 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.196 8.233 -17.006 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.128 6.517 -16.539 1.00 0.00 H new ATOM 890 N SER A 56 8.694 7.459 -20.258 1.00 0.00 N ATOM 891 CA SER A 56 8.013 7.102 -21.496 1.00 0.00 C ATOM 892 C SER A 56 8.725 5.948 -22.196 1.00 0.00 C ATOM 893 O SER A 56 8.407 4.780 -21.970 1.00 0.00 O ATOM 894 CB SER A 56 7.940 8.312 -22.430 1.00 0.00 C ATOM 895 OG SER A 56 7.594 7.921 -23.747 1.00 0.00 O ATOM 0 H SER A 56 8.118 7.375 -19.420 1.00 0.00 H new ATOM 0 HA SER A 56 7.001 6.783 -21.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.204 9.022 -22.053 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.902 8.825 -22.441 1.00 0.00 H new ATOM 0 HG SER A 56 7.552 8.713 -24.323 1.00 0.00 H new ATOM 901 N ASP A 57 9.689 6.285 -23.045 1.00 0.00 N ATOM 902 CA ASP A 57 10.448 5.278 -23.778 1.00 0.00 C ATOM 903 C ASP A 57 11.141 4.315 -22.818 1.00 0.00 C ATOM 904 O ASP A 57 10.838 3.123 -22.794 1.00 0.00 O ATOM 905 CB ASP A 57 11.482 5.947 -24.684 1.00 0.00 C ATOM 906 CG ASP A 57 10.844 6.686 -25.844 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.459 6.022 -26.830 1.00 0.00 O ATOM 908 OD2 ASP A 57 10.729 7.926 -25.766 1.00 0.00 O ATOM 0 H ASP A 57 9.964 7.247 -23.243 1.00 0.00 H new ATOM 0 HA ASP A 57 9.751 4.710 -24.394 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.078 6.645 -24.096 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.165 5.191 -25.071 1.00 0.00 H new ATOM 913 N GLN A 58 12.073 4.842 -22.031 1.00 0.00 N ATOM 914 CA GLN A 58 12.810 4.028 -21.071 1.00 0.00 C ATOM 915 C GLN A 58 11.857 3.225 -20.193 1.00 0.00 C ATOM 916 O GLN A 58 12.216 2.166 -19.676 1.00 0.00 O ATOM 917 CB GLN A 58 13.702 4.914 -20.199 1.00 0.00 C ATOM 918 CG GLN A 58 15.105 5.099 -20.754 1.00 0.00 C ATOM 919 CD GLN A 58 15.804 3.781 -21.024 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.356 3.159 -20.116 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.784 3.346 -22.279 1.00 0.00 N ATOM 0 H GLN A 58 12.336 5.828 -22.039 1.00 0.00 H new ATOM 0 HA GLN A 58 13.435 3.331 -21.628 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.232 5.891 -20.089 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.769 4.478 -19.202 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.053 5.674 -21.678 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.697 5.682 -20.048 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.315 3.893 -23.001 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.238 2.465 -22.521 1.00 0.00 H new ATOM 930 N ASP A 59 10.641 3.734 -20.028 1.00 0.00 N ATOM 931 CA ASP A 59 9.635 3.063 -19.213 1.00 0.00 C ATOM 932 C ASP A 59 9.341 1.667 -19.752 1.00 0.00 C ATOM 933 O ASP A 59 9.647 0.664 -19.107 1.00 0.00 O ATOM 934 CB ASP A 59 8.349 3.889 -19.171 1.00 0.00 C ATOM 935 CG ASP A 59 7.895 4.182 -17.754 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.766 4.346 -16.875 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.669 4.247 -17.525 1.00 0.00 O ATOM 0 H ASP A 59 10.328 4.609 -20.448 1.00 0.00 H new ATOM 0 HA ASP A 59 10.028 2.966 -18.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.507 4.829 -19.701 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.560 3.354 -19.699 1.00 0.00 H new ATOM 942 N ALA A 60 8.745 1.610 -20.939 1.00 0.00 N ATOM 943 CA ALA A 60 8.411 0.337 -21.565 1.00 0.00 C ATOM 944 C ALA A 60 9.622 -0.588 -21.609 1.00 0.00 C ATOM 945 O ALA A 60 9.480 -1.812 -21.629 1.00 0.00 O ATOM 946 CB ALA A 60 7.868 0.566 -22.968 1.00 0.00 C ATOM 0 H ALA A 60 8.484 2.431 -21.486 1.00 0.00 H new ATOM 0 HA ALA A 60 7.641 -0.145 -20.963 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.623 -0.393 -23.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.971 1.183 -22.915 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.621 1.073 -23.571 1.00 0.00 H new ATOM 952 N LEU A 61 10.811 0.002 -21.623 1.00 0.00 N ATOM 953 CA LEU A 61 12.048 -0.770 -21.664 1.00 0.00 C ATOM 954 C LEU A 61 12.626 -0.949 -20.264 1.00 0.00 C ATOM 955 O LEU A 61 13.842 -0.933 -20.075 1.00 0.00 O ATOM 956 CB LEU A 61 13.073 -0.081 -22.566 1.00 0.00 C ATOM 957 CG LEU A 61 12.600 0.263 -23.979 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.593 1.188 -24.665 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.398 -1.005 -24.797 1.00 0.00 C ATOM 0 H LEU A 61 10.945 1.013 -21.607 1.00 0.00 H new ATOM 0 HA LEU A 61 11.818 -1.755 -22.071 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.396 0.839 -22.079 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.949 -0.725 -22.644 1.00 0.00 H new ATOM 0 HG LEU A 61 11.644 0.781 -23.905 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.239 1.421 -25.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.689 2.109 -24.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.564 0.697 -24.728 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.061 -0.741 -25.800 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.340 -1.550 -24.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.648 -1.633 -24.316 1.00 0.00 H new ATOM 971 N LYS A 62 11.745 -1.122 -19.284 1.00 0.00 N ATOM 972 CA LYS A 62 12.166 -1.308 -17.900 1.00 0.00 C ATOM 973 C LYS A 62 11.127 -2.105 -17.118 1.00 0.00 C ATOM 974 O LYS A 62 11.436 -3.152 -16.548 1.00 0.00 O ATOM 975 CB LYS A 62 12.395 0.048 -17.229 1.00 0.00 C ATOM 976 CG LYS A 62 13.861 0.379 -17.011 1.00 0.00 C ATOM 977 CD LYS A 62 14.032 1.595 -16.116 1.00 0.00 C ATOM 978 CE LYS A 62 14.569 2.788 -16.892 1.00 0.00 C ATOM 979 NZ LYS A 62 16.026 2.656 -17.172 1.00 0.00 N ATOM 0 H LYS A 62 10.735 -1.137 -19.423 1.00 0.00 H new ATOM 0 HA LYS A 62 13.101 -1.868 -17.903 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.942 0.828 -17.841 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.882 0.059 -16.267 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.365 -0.477 -16.563 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.340 0.564 -17.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.074 1.854 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.713 1.354 -15.300 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.026 2.884 -17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.389 3.701 -16.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.552 3.361 -16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.345 1.701 -16.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.200 2.813 -18.185 1.00 0.00 H new ATOM 993 N ILE A 63 9.897 -1.605 -17.097 1.00 0.00 N ATOM 994 CA ILE A 63 8.813 -2.273 -16.388 1.00 0.00 C ATOM 995 C ILE A 63 8.599 -3.687 -16.916 1.00 0.00 C ATOM 996 O ILE A 63 8.006 -4.529 -16.243 1.00 0.00 O ATOM 997 CB ILE A 63 7.493 -1.488 -16.507 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.611 -0.138 -15.796 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.341 -2.297 -15.931 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.102 0.977 -16.693 1.00 0.00 C ATOM 0 H ILE A 63 9.626 -0.739 -17.563 1.00 0.00 H new ATOM 0 HA ILE A 63 9.105 -2.320 -15.339 1.00 0.00 H new ATOM 0 HB ILE A 63 7.291 -1.305 -17.562 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.637 0.136 -15.390 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.292 -0.240 -14.951 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.416 -1.728 -16.023 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.246 -3.235 -16.478 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.535 -2.508 -14.879 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.161 1.904 -16.122 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.090 0.725 -17.079 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.409 1.107 -17.525 1.00 0.00 H new ATOM 1012 N ASN A 64 9.089 -3.942 -18.125 1.00 0.00 N ATOM 1013 CA ASN A 64 8.953 -5.255 -18.744 1.00 0.00 C ATOM 1014 C ASN A 64 9.288 -6.363 -17.750 1.00 0.00 C ATOM 1015 O ASN A 64 8.688 -7.438 -17.774 1.00 0.00 O ATOM 1016 CB ASN A 64 9.863 -5.362 -19.969 1.00 0.00 C ATOM 1017 CG ASN A 64 11.292 -5.710 -19.599 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.810 -6.755 -19.993 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.936 -4.833 -18.837 1.00 0.00 N ATOM 0 H ASN A 64 9.584 -3.256 -18.695 1.00 0.00 H new ATOM 0 HA ASN A 64 7.916 -5.374 -19.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.470 -6.122 -20.645 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.851 -4.416 -20.511 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.900 -5.013 -18.555 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.467 -3.980 -18.534 1.00 0.00 H new ATOM 1026 N THR A 65 10.251 -6.093 -16.874 1.00 0.00 N ATOM 1027 CA THR A 65 10.668 -7.065 -15.871 1.00 0.00 C ATOM 1028 C THR A 65 10.329 -6.584 -14.465 1.00 0.00 C ATOM 1029 O THR A 65 10.622 -5.446 -14.100 1.00 0.00 O ATOM 1030 CB THR A 65 12.180 -7.346 -15.956 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.916 -6.221 -15.463 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.596 -7.643 -17.388 1.00 0.00 C ATOM 0 H THR A 65 10.757 -5.208 -16.839 1.00 0.00 H new ATOM 0 HA THR A 65 10.123 -7.986 -16.077 1.00 0.00 H new ATOM 0 HB THR A 65 12.399 -8.220 -15.343 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.861 -6.464 -15.369 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.668 -7.838 -17.422 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.056 -8.518 -17.750 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.363 -6.786 -18.020 1.00 0.00 H new ATOM 1040 N VAL A 66 9.711 -7.459 -13.678 1.00 0.00 N ATOM 1041 CA VAL A 66 9.334 -7.124 -12.310 1.00 0.00 C ATOM 1042 C VAL A 66 10.508 -6.518 -11.550 1.00 0.00 C ATOM 1043 O VAL A 66 10.320 -5.720 -10.632 1.00 0.00 O ATOM 1044 CB VAL A 66 8.827 -8.363 -11.548 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.577 -8.025 -10.086 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.567 -8.910 -12.201 1.00 0.00 C ATOM 0 H VAL A 66 9.461 -8.405 -13.965 1.00 0.00 H new ATOM 0 HA VAL A 66 8.529 -6.392 -12.373 1.00 0.00 H new ATOM 0 HB VAL A 66 9.595 -9.135 -11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.219 -8.912 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.505 -7.683 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.827 -7.237 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.222 -9.785 -11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.790 -8.145 -12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.784 -9.192 -13.231 1.00 0.00 H new ATOM 1056 N GLN A 67 11.720 -6.903 -11.938 1.00 0.00 N ATOM 1057 CA GLN A 67 12.925 -6.398 -11.292 1.00 0.00 C ATOM 1058 C GLN A 67 13.143 -4.925 -11.622 1.00 0.00 C ATOM 1059 O GLN A 67 13.199 -4.080 -10.729 1.00 0.00 O ATOM 1060 CB GLN A 67 14.143 -7.215 -11.725 1.00 0.00 C ATOM 1061 CG GLN A 67 15.203 -7.347 -10.644 1.00 0.00 C ATOM 1062 CD GLN A 67 15.575 -6.014 -10.026 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.335 -5.238 -10.606 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.041 -5.741 -8.841 1.00 0.00 N ATOM 0 H GLN A 67 11.893 -7.563 -12.696 1.00 0.00 H new ATOM 0 HA GLN A 67 12.796 -6.495 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.815 -8.211 -12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.589 -6.749 -12.604 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.840 -8.016 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.095 -7.808 -11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.416 -6.413 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.256 -4.859 -8.376 1.00 0.00 H new ATOM 1073 N ASP A 68 13.266 -4.625 -12.911 1.00 0.00 N ATOM 1074 CA ASP A 68 13.477 -3.253 -13.359 1.00 0.00 C ATOM 1075 C ASP A 68 12.261 -2.386 -13.047 1.00 0.00 C ATOM 1076 O ASP A 68 12.384 -1.179 -12.844 1.00 0.00 O ATOM 1077 CB ASP A 68 13.767 -3.225 -14.861 1.00 0.00 C ATOM 1078 CG ASP A 68 15.228 -3.483 -15.173 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.748 -4.538 -14.753 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.852 -2.630 -15.837 1.00 0.00 O ATOM 0 H ASP A 68 13.223 -5.313 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 68 14.335 -2.849 -12.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.154 -3.975 -15.361 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.478 -2.255 -15.266 1.00 0.00 H new ATOM 1085 N ALA A 69 11.089 -3.010 -13.012 1.00 0.00 N ATOM 1086 CA ALA A 69 9.851 -2.296 -12.724 1.00 0.00 C ATOM 1087 C ALA A 69 9.882 -1.686 -11.327 1.00 0.00 C ATOM 1088 O ALA A 69 9.858 -0.464 -11.173 1.00 0.00 O ATOM 1089 CB ALA A 69 8.657 -3.228 -12.869 1.00 0.00 C ATOM 0 H ALA A 69 10.970 -4.009 -13.180 1.00 0.00 H new ATOM 0 HA ALA A 69 9.753 -1.484 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.740 -2.681 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.617 -3.612 -13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.758 -4.060 -12.172 1.00 0.00 H new ATOM 1095 N ILE A 70 9.934 -2.543 -10.313 1.00 0.00 N ATOM 1096 CA ILE A 70 9.968 -2.087 -8.929 1.00 0.00 C ATOM 1097 C ILE A 70 11.170 -1.183 -8.678 1.00 0.00 C ATOM 1098 O ILE A 70 11.143 -0.330 -7.791 1.00 0.00 O ATOM 1099 CB ILE A 70 10.017 -3.273 -7.947 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.349 -4.014 -8.075 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.852 -4.218 -8.199 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.399 -3.545 -7.093 1.00 0.00 C ATOM 0 H ILE A 70 9.954 -3.557 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 70 9.051 -1.523 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 70 9.933 -2.888 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.177 -5.080 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.729 -3.888 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.901 -5.051 -7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.913 -3.682 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.907 -4.599 -9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.316 -4.114 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.599 -2.486 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.039 -3.697 -6.075 1.00 0.00 H new ATOM 1114 N ASP A 71 12.223 -1.376 -9.465 1.00 0.00 N ATOM 1115 CA ASP A 71 13.435 -0.576 -9.330 1.00 0.00 C ATOM 1116 C ASP A 71 13.271 0.778 -10.013 1.00 0.00 C ATOM 1117 O ASP A 71 13.939 1.749 -9.658 1.00 0.00 O ATOM 1118 CB ASP A 71 14.631 -1.320 -9.926 1.00 0.00 C ATOM 1119 CG ASP A 71 15.456 -2.029 -8.870 1.00 0.00 C ATOM 1120 OD1 ASP A 71 14.974 -3.043 -8.323 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.583 -1.569 -8.589 1.00 0.00 O ATOM 0 H ASP A 71 12.262 -2.079 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 71 13.614 -0.408 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.276 -2.048 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.264 -0.614 -10.464 1.00 0.00 H new ATOM 1126 N TYR A 72 12.378 0.835 -10.996 1.00 0.00 N ATOM 1127 CA TYR A 72 12.129 2.070 -11.731 1.00 0.00 C ATOM 1128 C TYR A 72 11.258 3.022 -10.917 1.00 0.00 C ATOM 1129 O TYR A 72 11.403 4.241 -11.005 1.00 0.00 O ATOM 1130 CB TYR A 72 11.456 1.763 -13.070 1.00 0.00 C ATOM 1131 CG TYR A 72 10.229 2.605 -13.337 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.345 3.944 -13.691 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.954 2.063 -13.236 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.227 4.718 -13.936 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.830 2.828 -13.481 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.972 4.155 -13.830 1.00 0.00 C ATOM 1137 OH TYR A 72 6.855 4.922 -14.073 1.00 0.00 O ATOM 0 H TYR A 72 11.815 0.041 -11.302 1.00 0.00 H new ATOM 0 HA TYR A 72 13.088 2.553 -11.916 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.176 1.920 -13.873 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.176 0.710 -13.094 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.326 4.387 -13.776 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.839 1.025 -12.961 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.335 5.757 -14.209 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.846 2.390 -13.400 1.00 0.00 H new ATOM 0 HH TYR A 72 6.051 4.375 -13.957 1.00 0.00 H new ATOM 1147 N ILE A 73 10.353 2.455 -10.126 1.00 0.00 N ATOM 1148 CA ILE A 73 9.460 3.253 -9.295 1.00 0.00 C ATOM 1149 C ILE A 73 10.111 3.596 -7.959 1.00 0.00 C ATOM 1150 O ILE A 73 9.799 4.619 -7.351 1.00 0.00 O ATOM 1151 CB ILE A 73 8.131 2.519 -9.031 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.350 1.355 -8.063 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.532 2.022 -10.339 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.053 1.704 -6.622 1.00 0.00 C ATOM 0 H ILE A 73 10.219 1.447 -10.043 1.00 0.00 H new ATOM 0 HA ILE A 73 9.256 4.172 -9.844 1.00 0.00 H new ATOM 0 HB ILE A 73 7.430 3.219 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.718 0.519 -8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.383 1.018 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.594 1.506 -10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.345 2.869 -10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.228 1.335 -10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.230 0.832 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.703 2.519 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.012 2.013 -6.530 1.00 0.00 H new ATOM 1166 N GLU A 74 11.019 2.735 -7.511 1.00 0.00 N ATOM 1167 CA GLU A 74 11.716 2.948 -6.248 1.00 0.00 C ATOM 1168 C GLU A 74 12.886 3.911 -6.428 1.00 0.00 C ATOM 1169 O GLU A 74 13.290 4.598 -5.489 1.00 0.00 O ATOM 1170 CB GLU A 74 12.218 1.617 -5.686 1.00 0.00 C ATOM 1171 CG GLU A 74 11.130 0.781 -5.034 1.00 0.00 C ATOM 1172 CD GLU A 74 11.345 0.603 -3.544 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.565 1.617 -2.850 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.292 -0.552 -3.072 1.00 0.00 O ATOM 0 H GLU A 74 11.289 1.884 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 74 11.011 3.388 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.673 1.041 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.001 1.814 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.163 1.254 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.094 -0.198 -5.512 1.00 0.00 H new ATOM 1181 N LYS A 75 13.426 3.956 -7.641 1.00 0.00 N ATOM 1182 CA LYS A 75 14.549 4.835 -7.946 1.00 0.00 C ATOM 1183 C LYS A 75 14.061 6.223 -8.347 1.00 0.00 C ATOM 1184 O LYS A 75 14.727 7.224 -8.088 1.00 0.00 O ATOM 1185 CB LYS A 75 15.399 4.238 -9.070 1.00 0.00 C ATOM 1186 CG LYS A 75 14.774 4.381 -10.447 1.00 0.00 C ATOM 1187 CD LYS A 75 15.245 5.646 -11.145 1.00 0.00 C ATOM 1188 CE LYS A 75 16.491 5.391 -11.979 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.417 6.061 -13.306 1.00 0.00 N ATOM 0 H LYS A 75 13.104 3.394 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 75 15.159 4.929 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.376 4.722 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.567 3.181 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.028 3.513 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.688 4.398 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.449 6.028 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.454 6.416 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.368 5.749 -11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.620 4.318 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.285 5.863 -13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.595 5.701 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.320 7.088 -13.172 1.00 0.00 H new ATOM 1203 N ASN A 76 12.892 6.275 -8.978 1.00 0.00 N ATOM 1204 CA ASN A 76 12.315 7.542 -9.413 1.00 0.00 C ATOM 1205 C ASN A 76 11.485 8.173 -8.299 1.00 0.00 C ATOM 1206 O ASN A 76 11.868 9.193 -7.728 1.00 0.00 O ATOM 1207 CB ASN A 76 11.445 7.330 -10.654 1.00 0.00 C ATOM 1208 CG ASN A 76 12.268 7.187 -11.920 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.086 6.243 -12.689 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.180 8.126 -12.141 1.00 0.00 N ATOM 0 H ASN A 76 12.326 5.455 -9.199 1.00 0.00 H new ATOM 0 HA ASN A 76 13.133 8.219 -9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.834 6.437 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.760 8.171 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.764 8.083 -12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.296 8.891 -11.476 1.00 0.00 H new ATOM 1217 N ASN A 77 10.347 7.558 -7.995 1.00 0.00 N ATOM 1218 CA ASN A 77 9.463 8.059 -6.948 1.00 0.00 C ATOM 1219 C ASN A 77 10.056 7.803 -5.566 1.00 0.00 C ATOM 1220 O ASN A 77 9.886 8.604 -4.647 1.00 0.00 O ATOM 1221 CB ASN A 77 8.087 7.399 -7.055 1.00 0.00 C ATOM 1222 CG ASN A 77 7.485 7.095 -5.697 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.090 8.001 -4.964 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.412 5.813 -5.356 1.00 0.00 N ATOM 0 H ASN A 77 10.015 6.712 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 77 9.354 9.135 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.415 8.054 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.174 6.475 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.016 5.547 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.752 5.095 -5.996 1.00 0.00 H new ATOM 1231 N LYS A 78 10.755 6.681 -5.427 1.00 0.00 N ATOM 1232 CA LYS A 78 11.376 6.318 -4.159 1.00 0.00 C ATOM 1233 C LYS A 78 10.461 6.662 -2.987 1.00 0.00 C ATOM 1234 O LYS A 78 10.920 7.141 -1.950 1.00 0.00 O ATOM 1235 CB LYS A 78 12.717 7.037 -4.000 1.00 0.00 C ATOM 1236 CG LYS A 78 12.591 8.548 -3.907 1.00 0.00 C ATOM 1237 CD LYS A 78 13.828 9.174 -3.286 1.00 0.00 C ATOM 1238 CE LYS A 78 13.607 9.511 -1.819 1.00 0.00 C ATOM 1239 NZ LYS A 78 12.892 10.806 -1.649 1.00 0.00 N ATOM 0 H LYS A 78 10.905 6.007 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 78 11.546 5.241 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.214 6.667 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.357 6.786 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.433 8.963 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.715 8.805 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.670 8.488 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.092 10.079 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.033 8.714 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.569 9.557 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.761 11.000 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.452 11.570 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.963 10.754 -2.114 1.00 0.00 H new ATOM 1253 N GLN A 79 9.167 6.414 -3.160 1.00 0.00 N ATOM 1254 CA GLN A 79 8.190 6.697 -2.116 1.00 0.00 C ATOM 1255 C GLN A 79 8.371 8.109 -1.568 1.00 0.00 C ATOM 1256 O GLN A 79 8.809 8.294 -0.432 1.00 0.00 O ATOM 1257 CB GLN A 79 8.314 5.678 -0.982 1.00 0.00 C ATOM 1258 CG GLN A 79 8.259 4.233 -1.453 1.00 0.00 C ATOM 1259 CD GLN A 79 7.000 3.520 -1.002 1.00 0.00 C ATOM 1260 OE1 GLN A 79 6.982 2.870 0.044 1.00 0.00 O ATOM 1261 NE2 GLN A 79 5.938 3.637 -1.790 1.00 0.00 N ATOM 0 H GLN A 79 8.771 6.018 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 79 7.195 6.622 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.254 5.844 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.513 5.848 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.317 4.207 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.130 3.698 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.997 4.186 -2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.063 3.178 -1.538 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 2.423 -3.448 -31.835 1.00 0.00 P HETATM 1272 O25 PNS A 137 1.714 -2.274 -32.686 1.00 0.00 O HETATM 1273 O26 PNS A 137 3.829 -3.673 -32.234 1.00 0.00 O HETATM 1274 O27 PNS A 137 1.480 -4.742 -32.013 1.00 0.00 O HETATM 1275 C28 PNS A 137 1.991 -6.075 -31.902 1.00 0.00 C HETATM 1276 C29 PNS A 137 0.894 -7.156 -31.822 1.00 0.00 C HETATM 1277 C30 PNS A 137 -0.070 -6.979 -33.011 1.00 0.00 C HETATM 1278 C31 PNS A 137 0.122 -6.945 -30.502 1.00 0.00 C HETATM 1279 C32 PNS A 137 1.600 -8.533 -31.832 1.00 0.00 C HETATM 1280 O33 PNS A 137 2.297 -8.744 -33.065 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.690 -9.767 -31.606 1.00 0.00 C HETATM 1282 O35 PNS A 137 -0.517 -9.741 -31.863 1.00 0.00 O HETATM 1283 N36 PNS A 137 1.236 -10.896 -31.134 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.662 -11.113 -30.818 1.00 0.00 C HETATM 1285 C38 PNS A 137 2.910 -12.617 -30.669 1.00 0.00 C HETATM 1286 C39 PNS A 137 4.419 -12.935 -30.597 1.00 0.00 C HETATM 1287 O40 PNS A 137 5.097 -12.810 -31.618 1.00 0.00 O HETATM 1288 N41 PNS A 137 4.956 -13.331 -29.435 1.00 0.00 N HETATM 1289 C42 PNS A 137 4.261 -13.534 -28.147 1.00 0.00 C HETATM 1290 C43 PNS A 137 5.269 -13.929 -27.068 1.00 0.00 C HETATM 1291 S44 PNS A 137 6.115 -15.521 -27.396 1.00 0.00 S HETATM 0 H432 PNS A 137 6.018 -13.142 -26.977 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.755 -13.992 -26.109 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.504 -14.311 -28.251 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.743 -12.620 -27.856 1.00 0.00 H new HETATM 0 H382 PNS A 137 2.465 -13.146 -31.512 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.417 -12.981 -29.768 1.00 0.00 H new HETATM 0 H372 PNS A 137 2.928 -10.593 -29.898 1.00 0.00 H new HETATM 0 H371 PNS A 137 3.291 -10.703 -31.609 1.00 0.00 H new HETATM 0 H313 PNS A 137 -0.663 -7.696 -30.416 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.325 -5.951 -30.497 1.00 0.00 H new HETATM 0 H311 PNS A 137 0.808 -7.039 -29.660 1.00 0.00 H new HETATM 0 H303 PNS A 137 -0.850 -7.739 -32.963 1.00 0.00 H new HETATM 0 H302 PNS A 137 0.482 -7.083 -33.945 1.00 0.00 H new HETATM 0 H301 PNS A 137 -0.525 -5.989 -32.967 1.00 0.00 H new HETATM 0 H282 PNS A 137 2.619 -6.141 -31.013 1.00 0.00 H new HETATM 0 H281 PNS A 137 2.630 -6.282 -32.760 1.00 0.00 H new HETATM 0 H44 PNS A 137 6.951 -15.775 -26.433 1.00 0.00 H new HETATM 0 H41 PNS A 137 5.960 -13.513 -29.440 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.605 -11.682 -30.978 1.00 0.00 H new HETATM 0 H33 PNS A 137 1.766 -9.329 -33.645 1.00 0.00 H new HETATM 0 H32 PNS A 137 2.272 -8.468 -30.976 1.00 0.00 H new