USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= 0.538 USER MOD Set 1.2: A 61 THR OG1 : rot 93:sc= 0.599 USER MOD Set 2.1: A 26 SER OG : rot 100:sc= -0.726 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 19:sc= -1.73 USER MOD Single : A 38 THR OG1 : rot 1:sc= 0.446! USER MOD Single : A 41 GLN : amide:sc= -3.94! C(o=-3.9!,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -1.16 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= -0.868 (180deg=-1.38) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 145:sc=-0.00766 (180deg=-1.7!) USER MOD Single : A 58 HIS : no HD1:sc= -7.05! C(o=-7!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 106:sc= -4.29! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-6.9!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.155 USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= 0.00184 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.054 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.965 -30.851 -7.781 1.00 0.00 N ATOM 2 CA GLY A 1 3.958 -29.810 -7.663 1.00 0.00 C ATOM 3 C GLY A 1 3.884 -29.277 -6.231 1.00 0.00 C ATOM 4 O GLY A 1 4.826 -28.650 -5.749 1.00 0.00 O ATOM 0 H1 GLY A 1 4.995 -31.195 -8.762 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.895 -30.465 -7.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.727 -31.638 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.192 -28.994 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.986 -30.205 -7.958 1.00 0.00 H new ATOM 8 N SER A 2 2.756 -29.546 -5.591 1.00 0.00 N ATOM 9 CA SER A 2 2.547 -29.101 -4.223 1.00 0.00 C ATOM 10 C SER A 2 2.999 -27.648 -4.071 1.00 0.00 C ATOM 11 O SER A 2 4.169 -27.382 -3.803 1.00 0.00 O ATOM 12 CB SER A 2 3.295 -29.996 -3.233 1.00 0.00 C ATOM 13 OG SER A 2 3.350 -29.421 -1.930 1.00 0.00 O ATOM 0 H SER A 2 1.977 -30.066 -5.994 1.00 0.00 H new ATOM 0 HA SER A 2 1.482 -29.169 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.804 -30.968 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.308 -30.170 -3.596 1.00 0.00 H new ATOM 0 HG SER A 2 3.834 -30.023 -1.327 1.00 0.00 H new ATOM 19 N SER A 3 2.046 -26.744 -4.249 1.00 0.00 N ATOM 20 CA SER A 3 2.331 -25.324 -4.135 1.00 0.00 C ATOM 21 C SER A 3 1.793 -24.787 -2.807 1.00 0.00 C ATOM 22 O SER A 3 0.726 -24.177 -2.767 1.00 0.00 O ATOM 23 CB SER A 3 1.729 -24.545 -5.305 1.00 0.00 C ATOM 24 OG SER A 3 2.453 -24.753 -6.515 1.00 0.00 O ATOM 0 H SER A 3 1.076 -26.968 -4.471 1.00 0.00 H new ATOM 0 HA SER A 3 3.412 -25.190 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.692 -24.848 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.720 -23.482 -5.066 1.00 0.00 H new ATOM 0 HG SER A 3 2.036 -24.240 -7.238 1.00 0.00 H new ATOM 30 N GLY A 4 2.557 -25.033 -1.753 1.00 0.00 N ATOM 31 CA GLY A 4 2.170 -24.582 -0.427 1.00 0.00 C ATOM 32 C GLY A 4 2.757 -23.202 -0.124 1.00 0.00 C ATOM 33 O GLY A 4 2.019 -22.234 0.052 1.00 0.00 O ATOM 0 H GLY A 4 3.442 -25.539 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.083 -24.542 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.513 -25.299 0.319 1.00 0.00 H new ATOM 37 N SER A 5 4.081 -23.156 -0.072 1.00 0.00 N ATOM 38 CA SER A 5 4.776 -21.911 0.207 1.00 0.00 C ATOM 39 C SER A 5 4.102 -20.758 -0.539 1.00 0.00 C ATOM 40 O SER A 5 3.526 -19.865 0.082 1.00 0.00 O ATOM 41 CB SER A 5 6.252 -22.005 -0.183 1.00 0.00 C ATOM 42 OG SER A 5 7.069 -22.409 0.912 1.00 0.00 O ATOM 0 H SER A 5 4.690 -23.961 -0.218 1.00 0.00 H new ATOM 0 HA SER A 5 4.723 -21.722 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.366 -22.715 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.592 -21.037 -0.551 1.00 0.00 H new ATOM 0 HG SER A 5 8.004 -22.459 0.622 1.00 0.00 H new ATOM 48 N SER A 6 4.197 -20.813 -1.859 1.00 0.00 N ATOM 49 CA SER A 6 3.604 -19.784 -2.696 1.00 0.00 C ATOM 50 C SER A 6 2.234 -19.386 -2.144 1.00 0.00 C ATOM 51 O SER A 6 1.964 -18.204 -1.933 1.00 0.00 O ATOM 52 CB SER A 6 3.475 -20.258 -4.145 1.00 0.00 C ATOM 53 OG SER A 6 3.602 -19.183 -5.072 1.00 0.00 O ATOM 0 H SER A 6 4.676 -21.555 -2.370 1.00 0.00 H new ATOM 0 HA SER A 6 4.260 -18.914 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.240 -21.007 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.509 -20.743 -4.283 1.00 0.00 H new ATOM 0 HG SER A 6 3.516 -19.527 -5.986 1.00 0.00 H new ATOM 59 N GLY A 7 1.403 -20.395 -1.925 1.00 0.00 N ATOM 60 CA GLY A 7 0.068 -20.165 -1.401 1.00 0.00 C ATOM 61 C GLY A 7 0.108 -19.241 -0.183 1.00 0.00 C ATOM 62 O GLY A 7 -0.738 -18.359 -0.039 1.00 0.00 O ATOM 0 H GLY A 7 1.629 -21.374 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.559 -19.724 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.387 -21.116 -1.125 1.00 0.00 H new ATOM 66 N ASP A 8 1.100 -19.474 0.665 1.00 0.00 N ATOM 67 CA ASP A 8 1.261 -18.673 1.866 1.00 0.00 C ATOM 68 C ASP A 8 1.382 -17.198 1.479 1.00 0.00 C ATOM 69 O ASP A 8 0.785 -16.334 2.119 1.00 0.00 O ATOM 70 CB ASP A 8 2.530 -19.068 2.625 1.00 0.00 C ATOM 71 CG ASP A 8 2.502 -18.779 4.127 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.906 -17.744 4.494 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.077 -19.600 4.874 1.00 0.00 O ATOM 0 H ASP A 8 1.800 -20.206 0.544 1.00 0.00 H new ATOM 0 HA ASP A 8 0.392 -18.842 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.706 -20.134 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.377 -18.542 2.185 1.00 0.00 H new ATOM 78 N GLN A 9 2.157 -16.956 0.432 1.00 0.00 N ATOM 79 CA GLN A 9 2.363 -15.600 -0.048 1.00 0.00 C ATOM 80 C GLN A 9 1.180 -15.157 -0.910 1.00 0.00 C ATOM 81 O GLN A 9 1.029 -13.971 -1.201 1.00 0.00 O ATOM 82 CB GLN A 9 3.678 -15.487 -0.822 1.00 0.00 C ATOM 83 CG GLN A 9 4.823 -16.155 -0.059 1.00 0.00 C ATOM 84 CD GLN A 9 6.030 -16.385 -0.971 1.00 0.00 C ATOM 85 OE1 GLN A 9 6.036 -16.028 -2.137 1.00 0.00 O ATOM 86 NE2 GLN A 9 7.048 -17.001 -0.376 1.00 0.00 N ATOM 0 H GLN A 9 2.650 -17.676 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 9 2.428 -14.936 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.569 -15.953 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.914 -14.437 -0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.115 -15.531 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.485 -17.107 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.977 -17.273 0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.900 -17.201 -0.900 1.00 0.00 H new ATOM 95 N LYS A 10 0.370 -16.133 -1.295 1.00 0.00 N ATOM 96 CA LYS A 10 -0.795 -15.858 -2.118 1.00 0.00 C ATOM 97 C LYS A 10 -1.956 -15.421 -1.221 1.00 0.00 C ATOM 98 O LYS A 10 -2.618 -14.423 -1.499 1.00 0.00 O ATOM 99 CB LYS A 10 -1.122 -17.062 -3.003 1.00 0.00 C ATOM 100 CG LYS A 10 -1.391 -16.625 -4.445 1.00 0.00 C ATOM 101 CD LYS A 10 -1.088 -17.759 -5.427 1.00 0.00 C ATOM 102 CE LYS A 10 -2.165 -17.848 -6.510 1.00 0.00 C ATOM 103 NZ LYS A 10 -1.675 -17.263 -7.778 1.00 0.00 N ATOM 0 H LYS A 10 0.498 -17.115 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.592 -15.034 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.293 -17.769 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.995 -17.582 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.432 -16.319 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.778 -15.757 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.115 -17.594 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.029 -18.705 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.445 -18.889 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.062 -17.322 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.418 -17.332 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.430 -16.264 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.832 -17.782 -8.097 1.00 0.00 H new ATOM 117 N LYS A 11 -2.166 -16.191 -0.163 1.00 0.00 N ATOM 118 CA LYS A 11 -3.235 -15.896 0.776 1.00 0.00 C ATOM 119 C LYS A 11 -2.925 -14.585 1.500 1.00 0.00 C ATOM 120 O LYS A 11 -3.831 -13.811 1.807 1.00 0.00 O ATOM 121 CB LYS A 11 -3.462 -17.080 1.718 1.00 0.00 C ATOM 122 CG LYS A 11 -2.145 -17.543 2.344 1.00 0.00 C ATOM 123 CD LYS A 11 -2.300 -17.757 3.851 1.00 0.00 C ATOM 124 CE LYS A 11 -0.970 -17.535 4.575 1.00 0.00 C ATOM 125 NZ LYS A 11 -1.109 -16.476 5.600 1.00 0.00 N ATOM 0 H LYS A 11 -1.614 -17.018 0.064 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.178 -15.753 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.162 -16.795 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.917 -17.904 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.821 -18.471 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.368 -16.802 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.051 -17.072 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.659 -18.768 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.645 -18.464 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.200 -17.255 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.198 -16.338 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.398 -15.587 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.829 -16.758 6.295 1.00 0.00 H new ATOM 139 N PHE A 12 -1.641 -14.375 1.752 1.00 0.00 N ATOM 140 CA PHE A 12 -1.200 -13.170 2.434 1.00 0.00 C ATOM 141 C PHE A 12 -1.392 -11.937 1.549 1.00 0.00 C ATOM 142 O PHE A 12 -2.045 -10.975 1.952 1.00 0.00 O ATOM 143 CB PHE A 12 0.291 -13.344 2.730 1.00 0.00 C ATOM 144 CG PHE A 12 0.993 -12.057 3.167 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.400 -11.154 2.236 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.209 -11.815 4.488 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.051 -9.959 2.642 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.860 -10.621 4.895 1.00 0.00 C ATOM 149 CZ PHE A 12 2.268 -9.718 3.963 1.00 0.00 C ATOM 0 H PHE A 12 -0.892 -15.019 1.496 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.781 -13.024 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.411 -14.094 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.785 -13.731 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.228 -11.345 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.885 -12.532 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.374 -9.242 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.031 -10.430 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.764 -8.810 4.272 1.00 0.00 H new ATOM 159 N ILE A 13 -0.812 -12.005 0.360 1.00 0.00 N ATOM 160 CA ILE A 13 -0.911 -10.906 -0.585 1.00 0.00 C ATOM 161 C ILE A 13 -2.386 -10.603 -0.855 1.00 0.00 C ATOM 162 O ILE A 13 -2.805 -9.448 -0.808 1.00 0.00 O ATOM 163 CB ILE A 13 -0.104 -11.212 -1.849 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.240 -9.927 -2.604 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.837 -12.220 -2.736 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.439 -9.221 -1.968 1.00 0.00 C ATOM 0 H ILE A 13 -0.272 -12.804 0.029 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.471 -10.001 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 13 0.838 -11.671 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.462 -10.161 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.622 -9.259 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.242 -12.420 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.988 -13.148 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.804 -11.811 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.662 -8.311 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.205 -8.966 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.305 -9.882 -1.992 1.00 0.00 H new ATOM 178 N ASP A 14 -3.133 -11.661 -1.134 1.00 0.00 N ATOM 179 CA ASP A 14 -4.552 -11.523 -1.412 1.00 0.00 C ATOM 180 C ASP A 14 -5.209 -10.705 -0.298 1.00 0.00 C ATOM 181 O ASP A 14 -5.865 -9.700 -0.565 1.00 0.00 O ATOM 182 CB ASP A 14 -5.239 -12.889 -1.463 1.00 0.00 C ATOM 183 CG ASP A 14 -6.623 -12.893 -2.115 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.805 -12.103 -3.066 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.469 -13.686 -1.647 1.00 0.00 O ATOM 0 H ASP A 14 -2.782 -12.618 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.659 -11.029 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.596 -13.582 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.332 -13.270 -0.446 1.00 0.00 H new ATOM 190 N GLN A 15 -5.009 -11.167 0.928 1.00 0.00 N ATOM 191 CA GLN A 15 -5.573 -10.491 2.084 1.00 0.00 C ATOM 192 C GLN A 15 -5.291 -8.989 2.010 1.00 0.00 C ATOM 193 O GLN A 15 -6.155 -8.175 2.332 1.00 0.00 O ATOM 194 CB GLN A 15 -5.033 -11.087 3.385 1.00 0.00 C ATOM 195 CG GLN A 15 -5.651 -12.460 3.658 1.00 0.00 C ATOM 196 CD GLN A 15 -6.377 -12.477 5.004 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.515 -12.057 5.130 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.657 -12.985 6.001 1.00 0.00 N ATOM 0 H GLN A 15 -4.464 -12.001 1.146 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.653 -10.639 2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.948 -11.178 3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.251 -10.415 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.350 -12.713 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.871 -13.221 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.709 -13.319 5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.053 -13.040 6.939 1.00 0.00 H new ATOM 207 N VAL A 16 -4.079 -8.667 1.584 1.00 0.00 N ATOM 208 CA VAL A 16 -3.672 -7.277 1.464 1.00 0.00 C ATOM 209 C VAL A 16 -4.504 -6.600 0.373 1.00 0.00 C ATOM 210 O VAL A 16 -5.066 -5.528 0.591 1.00 0.00 O ATOM 211 CB VAL A 16 -2.166 -7.193 1.207 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.731 -5.745 0.972 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.378 -7.823 2.357 1.00 0.00 C ATOM 0 H VAL A 16 -3.365 -9.345 1.317 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.859 -6.742 2.395 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.948 -7.760 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.656 -5.713 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.257 -5.343 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.970 -5.146 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.310 -7.750 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.604 -7.297 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.657 -8.872 2.458 1.00 0.00 H new ATOM 223 N ILE A 17 -4.555 -7.253 -0.779 1.00 0.00 N ATOM 224 CA ILE A 17 -5.308 -6.727 -1.905 1.00 0.00 C ATOM 225 C ILE A 17 -6.621 -6.127 -1.398 1.00 0.00 C ATOM 226 O ILE A 17 -6.936 -4.975 -1.694 1.00 0.00 O ATOM 227 CB ILE A 17 -5.497 -7.806 -2.974 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.149 -8.369 -3.427 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.321 -7.275 -4.148 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.093 -7.265 -3.513 1.00 0.00 C ATOM 0 H ILE A 17 -4.087 -8.142 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.756 -5.923 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.058 -8.630 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.819 -9.138 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.260 -8.848 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.441 -8.061 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.302 -6.961 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.808 -6.424 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.145 -7.693 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.414 -6.509 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.967 -6.805 -2.533 1.00 0.00 H new ATOM 242 N GLU A 18 -7.353 -6.935 -0.644 1.00 0.00 N ATOM 243 CA GLU A 18 -8.624 -6.498 -0.094 1.00 0.00 C ATOM 244 C GLU A 18 -8.463 -5.149 0.609 1.00 0.00 C ATOM 245 O GLU A 18 -9.194 -4.203 0.320 1.00 0.00 O ATOM 246 CB GLU A 18 -9.199 -7.548 0.858 1.00 0.00 C ATOM 247 CG GLU A 18 -9.681 -8.780 0.090 1.00 0.00 C ATOM 248 CD GLU A 18 -10.910 -8.450 -0.760 1.00 0.00 C ATOM 249 OE1 GLU A 18 -10.712 -7.824 -1.824 1.00 0.00 O ATOM 250 OE2 GLU A 18 -12.019 -8.831 -0.327 1.00 0.00 O ATOM 0 H GLU A 18 -7.089 -7.890 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.330 -6.375 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.440 -7.841 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.028 -7.119 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.880 -9.150 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.923 -9.578 0.791 1.00 0.00 H new ATOM 257 N LYS A 19 -7.501 -5.104 1.520 1.00 0.00 N ATOM 258 CA LYS A 19 -7.235 -3.887 2.267 1.00 0.00 C ATOM 259 C LYS A 19 -7.041 -2.725 1.290 1.00 0.00 C ATOM 260 O LYS A 19 -7.490 -1.610 1.549 1.00 0.00 O ATOM 261 CB LYS A 19 -6.056 -4.090 3.221 1.00 0.00 C ATOM 262 CG LYS A 19 -6.422 -5.063 4.344 1.00 0.00 C ATOM 263 CD LYS A 19 -5.180 -5.789 4.866 1.00 0.00 C ATOM 264 CE LYS A 19 -5.268 -6.007 6.378 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.582 -7.262 6.761 1.00 0.00 N ATOM 0 H LYS A 19 -6.897 -5.891 1.757 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.087 -3.635 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.198 -4.473 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.759 -3.132 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.900 -4.520 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.146 -5.791 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.077 -6.750 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.288 -5.208 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.815 -5.164 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.313 -6.048 6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.651 -7.395 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.032 -8.065 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.581 -7.208 6.485 1.00 0.00 H new ATOM 279 N ILE A 20 -6.373 -3.028 0.186 1.00 0.00 N ATOM 280 CA ILE A 20 -6.115 -2.023 -0.831 1.00 0.00 C ATOM 281 C ILE A 20 -7.434 -1.626 -1.496 1.00 0.00 C ATOM 282 O ILE A 20 -7.853 -0.472 -1.412 1.00 0.00 O ATOM 283 CB ILE A 20 -5.054 -2.519 -1.817 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.713 -2.739 -1.114 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.927 -1.569 -3.009 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.971 -3.936 -1.712 1.00 0.00 C ATOM 0 H ILE A 20 -6.003 -3.955 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.701 -1.121 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.375 -3.485 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.099 -1.843 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.879 -2.904 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.167 -1.944 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.884 -1.506 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.640 -0.579 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.021 -4.071 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.577 -4.834 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.785 -3.757 -2.771 1.00 0.00 H new ATOM 298 N GLU A 21 -8.052 -2.603 -2.142 1.00 0.00 N ATOM 299 CA GLU A 21 -9.316 -2.370 -2.821 1.00 0.00 C ATOM 300 C GLU A 21 -10.234 -1.508 -1.952 1.00 0.00 C ATOM 301 O GLU A 21 -10.668 -0.437 -2.374 1.00 0.00 O ATOM 302 CB GLU A 21 -9.992 -3.692 -3.190 1.00 0.00 C ATOM 303 CG GLU A 21 -9.318 -4.332 -4.404 1.00 0.00 C ATOM 304 CD GLU A 21 -10.344 -4.664 -5.490 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.336 -5.342 -5.145 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.113 -4.233 -6.640 1.00 0.00 O ATOM 0 H GLU A 21 -7.701 -3.558 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.115 -1.832 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.948 -4.376 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.046 -3.518 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.565 -3.654 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.799 -5.241 -4.099 1.00 0.00 H new ATOM 313 N ASP A 22 -10.502 -2.007 -0.754 1.00 0.00 N ATOM 314 CA ASP A 22 -11.361 -1.296 0.177 1.00 0.00 C ATOM 315 C ASP A 22 -10.857 0.140 0.334 1.00 0.00 C ATOM 316 O ASP A 22 -11.621 1.091 0.172 1.00 0.00 O ATOM 317 CB ASP A 22 -11.342 -1.956 1.557 1.00 0.00 C ATOM 318 CG ASP A 22 -12.717 -2.338 2.110 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.555 -2.778 1.293 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.898 -2.182 3.337 1.00 0.00 O ATOM 0 H ASP A 22 -10.139 -2.895 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.376 -1.315 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.726 -2.854 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.859 -1.278 2.261 1.00 0.00 H new ATOM 325 N PHE A 23 -9.575 0.253 0.646 1.00 0.00 N ATOM 326 CA PHE A 23 -8.960 1.558 0.826 1.00 0.00 C ATOM 327 C PHE A 23 -9.175 2.439 -0.406 1.00 0.00 C ATOM 328 O PHE A 23 -9.409 3.640 -0.281 1.00 0.00 O ATOM 329 CB PHE A 23 -7.461 1.323 1.016 1.00 0.00 C ATOM 330 CG PHE A 23 -6.584 2.484 0.542 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.785 3.735 1.038 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.604 2.266 -0.376 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.972 4.812 0.597 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.791 3.343 -0.816 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.992 4.594 -0.320 1.00 0.00 C ATOM 0 H PHE A 23 -8.944 -0.538 0.779 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.404 2.064 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.263 1.140 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.174 0.420 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.563 3.909 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.445 1.273 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.132 5.805 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.013 3.170 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.373 5.414 -0.655 1.00 0.00 H new ATOM 345 N LEU A 24 -9.086 1.809 -1.568 1.00 0.00 N ATOM 346 CA LEU A 24 -9.267 2.521 -2.821 1.00 0.00 C ATOM 347 C LEU A 24 -10.735 2.924 -2.966 1.00 0.00 C ATOM 348 O LEU A 24 -11.039 4.015 -3.446 1.00 0.00 O ATOM 349 CB LEU A 24 -8.739 1.688 -3.992 1.00 0.00 C ATOM 350 CG LEU A 24 -7.263 1.292 -3.922 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.962 0.129 -4.869 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.359 2.497 -4.188 1.00 0.00 C ATOM 0 H LEU A 24 -8.891 0.813 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.682 3.441 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.336 0.779 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.901 2.248 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.049 0.947 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.906 -0.133 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.568 -0.733 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.197 0.423 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.315 2.188 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.567 2.896 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.550 3.267 -3.441 1.00 0.00 H new ATOM 364 N GLN A 25 -11.608 2.022 -2.543 1.00 0.00 N ATOM 365 CA GLN A 25 -13.038 2.270 -2.620 1.00 0.00 C ATOM 366 C GLN A 25 -13.404 3.520 -1.815 1.00 0.00 C ATOM 367 O GLN A 25 -14.194 4.345 -2.270 1.00 0.00 O ATOM 368 CB GLN A 25 -13.832 1.055 -2.136 1.00 0.00 C ATOM 369 CG GLN A 25 -13.867 -0.038 -3.206 1.00 0.00 C ATOM 370 CD GLN A 25 -15.126 0.077 -4.067 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.630 1.155 -4.334 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.604 -1.092 -4.486 1.00 0.00 N ATOM 0 H GLN A 25 -11.353 1.118 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.301 2.443 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.383 0.662 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.849 1.357 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.982 0.038 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.836 -1.018 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.133 -1.958 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.442 -1.122 -5.067 1.00 0.00 H new ATOM 381 N SER A 26 -12.811 3.618 -0.634 1.00 0.00 N ATOM 382 CA SER A 26 -13.065 4.753 0.237 1.00 0.00 C ATOM 383 C SER A 26 -12.606 6.046 -0.440 1.00 0.00 C ATOM 384 O SER A 26 -11.624 6.048 -1.181 1.00 0.00 O ATOM 385 CB SER A 26 -12.360 4.581 1.584 1.00 0.00 C ATOM 386 OG SER A 26 -13.095 5.175 2.651 1.00 0.00 O ATOM 0 H SER A 26 -12.156 2.931 -0.260 1.00 0.00 H new ATOM 0 HA SER A 26 -14.138 4.809 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.220 3.519 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.368 5.029 1.534 1.00 0.00 H new ATOM 0 HG SER A 26 -13.594 4.481 3.130 1.00 0.00 H new ATOM 392 N GLU A 27 -13.338 7.115 -0.161 1.00 0.00 N ATOM 393 CA GLU A 27 -13.019 8.411 -0.734 1.00 0.00 C ATOM 394 C GLU A 27 -12.100 9.195 0.205 1.00 0.00 C ATOM 395 O GLU A 27 -10.960 9.496 -0.145 1.00 0.00 O ATOM 396 CB GLU A 27 -14.291 9.202 -1.043 1.00 0.00 C ATOM 397 CG GLU A 27 -14.460 9.402 -2.551 1.00 0.00 C ATOM 398 CD GLU A 27 -15.623 10.349 -2.851 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.754 9.834 -2.986 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.356 11.567 -2.939 1.00 0.00 O ATOM 0 H GLU A 27 -14.151 7.110 0.455 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.493 8.251 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.157 8.675 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.250 10.171 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.540 9.805 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.637 8.440 -3.032 1.00 0.00 H new ATOM 407 N GLU A 28 -12.630 9.502 1.379 1.00 0.00 N ATOM 408 CA GLU A 28 -11.872 10.245 2.372 1.00 0.00 C ATOM 409 C GLU A 28 -10.442 9.708 2.458 1.00 0.00 C ATOM 410 O GLU A 28 -9.484 10.479 2.440 1.00 0.00 O ATOM 411 CB GLU A 28 -12.560 10.195 3.737 1.00 0.00 C ATOM 412 CG GLU A 28 -12.622 11.587 4.371 1.00 0.00 C ATOM 413 CD GLU A 28 -11.250 12.010 4.899 1.00 0.00 C ATOM 414 OE1 GLU A 28 -10.722 11.275 5.762 1.00 0.00 O ATOM 415 OE2 GLU A 28 -10.760 13.059 4.428 1.00 0.00 O ATOM 0 H GLU A 28 -13.576 9.250 1.666 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.829 11.289 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.569 9.797 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.020 9.515 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.971 12.311 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.345 11.587 5.186 1.00 0.00 H new ATOM 422 N LYS A 29 -10.343 8.390 2.550 1.00 0.00 N ATOM 423 CA LYS A 29 -9.046 7.741 2.639 1.00 0.00 C ATOM 424 C LYS A 29 -8.069 8.432 1.686 1.00 0.00 C ATOM 425 O LYS A 29 -8.385 8.651 0.518 1.00 0.00 O ATOM 426 CB LYS A 29 -9.182 6.237 2.397 1.00 0.00 C ATOM 427 CG LYS A 29 -10.006 5.575 3.503 1.00 0.00 C ATOM 428 CD LYS A 29 -9.817 4.057 3.496 1.00 0.00 C ATOM 429 CE LYS A 29 -10.341 3.432 4.790 1.00 0.00 C ATOM 430 NZ LYS A 29 -11.557 2.631 4.523 1.00 0.00 N ATOM 0 H LYS A 29 -11.140 7.754 2.565 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.637 7.842 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.656 6.062 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.193 5.781 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.710 5.977 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.061 5.814 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.340 3.626 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.760 3.819 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.572 2.800 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.566 4.215 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.900 2.214 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.295 3.244 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.332 1.872 3.849 1.00 0.00 H new ATOM 444 N ARG A 30 -6.900 8.755 2.220 1.00 0.00 N ATOM 445 CA ARG A 30 -5.874 9.417 1.432 1.00 0.00 C ATOM 446 C ARG A 30 -4.626 8.537 1.340 1.00 0.00 C ATOM 447 O ARG A 30 -3.963 8.500 0.305 1.00 0.00 O ATOM 448 CB ARG A 30 -5.495 10.767 2.043 1.00 0.00 C ATOM 449 CG ARG A 30 -6.010 11.922 1.183 1.00 0.00 C ATOM 450 CD ARG A 30 -4.850 12.727 0.593 1.00 0.00 C ATOM 451 NE ARG A 30 -5.112 14.176 0.741 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.114 14.824 0.132 1.00 0.00 C ATOM 453 NH1 ARG A 30 -6.955 14.156 -0.669 1.00 0.00 N ATOM 454 NH2 ARG A 30 -6.275 16.140 0.325 1.00 0.00 N ATOM 0 H ARG A 30 -6.641 8.570 3.189 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.279 9.585 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.909 10.844 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.411 10.835 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.632 11.531 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.641 12.575 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.920 12.464 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.722 12.478 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.491 14.715 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.832 13.154 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.718 14.649 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.635 16.648 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.038 16.634 -0.138 1.00 0.00 H new ATOM 468 N SER A 31 -4.344 7.849 2.437 1.00 0.00 N ATOM 469 CA SER A 31 -3.187 6.972 2.494 1.00 0.00 C ATOM 470 C SER A 31 -3.494 5.756 3.370 1.00 0.00 C ATOM 471 O SER A 31 -4.086 5.891 4.439 1.00 0.00 O ATOM 472 CB SER A 31 -1.959 7.713 3.027 1.00 0.00 C ATOM 473 OG SER A 31 -2.315 8.907 3.719 1.00 0.00 O ATOM 0 H SER A 31 -4.897 7.881 3.293 1.00 0.00 H new ATOM 0 HA SER A 31 -2.964 6.636 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.403 7.058 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.295 7.959 2.198 1.00 0.00 H new ATOM 0 HG SER A 31 -1.504 9.350 4.045 1.00 0.00 H new ATOM 479 N LEU A 32 -3.079 4.596 2.883 1.00 0.00 N ATOM 480 CA LEU A 32 -3.302 3.357 3.608 1.00 0.00 C ATOM 481 C LEU A 32 -1.996 2.917 4.273 1.00 0.00 C ATOM 482 O LEU A 32 -0.911 3.220 3.778 1.00 0.00 O ATOM 483 CB LEU A 32 -3.910 2.298 2.685 1.00 0.00 C ATOM 484 CG LEU A 32 -4.355 0.998 3.358 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.554 1.240 4.278 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.640 -0.088 2.318 1.00 0.00 C ATOM 0 H LEU A 32 -2.589 4.488 1.995 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.030 3.508 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.771 2.736 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.179 2.053 1.914 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.537 0.639 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.851 0.300 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.280 1.958 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.386 1.634 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.954 -1.002 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.432 0.248 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.737 -0.285 1.741 1.00 0.00 H new ATOM 498 N GLU A 33 -2.144 2.210 5.383 1.00 0.00 N ATOM 499 CA GLU A 33 -0.989 1.726 6.121 1.00 0.00 C ATOM 500 C GLU A 33 -1.071 0.208 6.299 1.00 0.00 C ATOM 501 O GLU A 33 -2.010 -0.299 6.911 1.00 0.00 O ATOM 502 CB GLU A 33 -0.868 2.430 7.474 1.00 0.00 C ATOM 503 CG GLU A 33 -0.998 3.946 7.316 1.00 0.00 C ATOM 504 CD GLU A 33 -0.899 4.649 8.671 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.592 4.186 9.603 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.133 5.634 8.745 1.00 0.00 O ATOM 0 H GLU A 33 -3.046 1.960 5.790 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.092 1.958 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.641 2.063 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.093 2.189 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.215 4.315 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.952 4.186 6.847 1.00 0.00 H new ATOM 513 N LEU A 34 -0.076 -0.474 5.752 1.00 0.00 N ATOM 514 CA LEU A 34 -0.024 -1.924 5.843 1.00 0.00 C ATOM 515 C LEU A 34 0.891 -2.325 7.001 1.00 0.00 C ATOM 516 O LEU A 34 1.531 -1.474 7.616 1.00 0.00 O ATOM 517 CB LEU A 34 0.384 -2.530 4.498 1.00 0.00 C ATOM 518 CG LEU A 34 -0.724 -2.643 3.449 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.156 -3.078 2.097 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.839 -3.574 3.929 1.00 0.00 C ATOM 0 H LEU A 34 0.701 -0.050 5.244 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.012 -2.328 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.192 -1.928 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.789 -3.526 4.679 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.166 -1.656 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.964 -3.151 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.574 -2.344 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.327 -4.050 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.614 -3.637 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.430 -4.567 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.269 -3.182 4.851 1.00 0.00 H new ATOM 532 N ASP A 35 0.923 -3.623 7.265 1.00 0.00 N ATOM 533 CA ASP A 35 1.748 -4.148 8.340 1.00 0.00 C ATOM 534 C ASP A 35 3.218 -4.098 7.919 1.00 0.00 C ATOM 535 O ASP A 35 3.537 -4.257 6.742 1.00 0.00 O ATOM 536 CB ASP A 35 1.394 -5.605 8.645 1.00 0.00 C ATOM 537 CG ASP A 35 1.587 -6.576 7.478 1.00 0.00 C ATOM 538 OD1 ASP A 35 2.684 -6.533 6.880 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.633 -7.338 7.210 1.00 0.00 O ATOM 0 H ASP A 35 0.391 -4.327 6.753 1.00 0.00 H new ATOM 0 HA ASP A 35 1.572 -3.540 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.003 -5.943 9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.354 -5.650 8.967 1.00 0.00 H new ATOM 544 N PRO A 36 4.098 -3.870 8.931 1.00 0.00 N ATOM 545 CA PRO A 36 5.527 -3.796 8.677 1.00 0.00 C ATOM 546 C PRO A 36 6.113 -5.188 8.435 1.00 0.00 C ATOM 547 O PRO A 36 6.294 -5.962 9.374 1.00 0.00 O ATOM 548 CB PRO A 36 6.109 -3.112 9.903 1.00 0.00 C ATOM 549 CG PRO A 36 5.059 -3.246 10.994 1.00 0.00 C ATOM 550 CD PRO A 36 3.757 -3.677 10.337 1.00 0.00 C ATOM 0 HA PRO A 36 5.765 -3.235 7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.046 -3.581 10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.328 -2.064 9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.372 -3.979 11.738 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.928 -2.298 11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.374 -4.596 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.983 -2.919 10.456 1.00 0.00 H new ATOM 558 N CYS A 37 6.395 -5.465 7.170 1.00 0.00 N ATOM 559 CA CYS A 37 6.957 -6.750 6.792 1.00 0.00 C ATOM 560 C CYS A 37 8.335 -6.882 7.443 1.00 0.00 C ATOM 561 O CYS A 37 8.878 -5.905 7.958 1.00 0.00 O ATOM 562 CB CYS A 37 7.025 -6.913 5.272 1.00 0.00 C ATOM 563 SG CYS A 37 5.375 -7.349 4.614 1.00 0.00 S ATOM 0 H CYS A 37 6.244 -4.821 6.394 1.00 0.00 H new ATOM 0 HA CYS A 37 6.310 -7.552 7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.375 -5.988 4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.745 -7.689 5.013 1.00 0.00 H new ATOM 0 HG CYS A 37 4.463 -7.028 5.483 1.00 0.00 H new ATOM 569 N THR A 38 8.862 -8.097 7.399 1.00 0.00 N ATOM 570 CA THR A 38 10.166 -8.368 7.978 1.00 0.00 C ATOM 571 C THR A 38 11.257 -8.255 6.911 1.00 0.00 C ATOM 572 O THR A 38 12.442 -8.189 7.235 1.00 0.00 O ATOM 573 CB THR A 38 10.110 -9.744 8.645 1.00 0.00 C ATOM 574 OG1 THR A 38 11.473 -10.048 8.928 1.00 0.00 O ATOM 575 CG2 THR A 38 9.675 -10.847 7.678 1.00 0.00 C ATOM 0 H THR A 38 8.409 -8.905 6.971 1.00 0.00 H new ATOM 0 HA THR A 38 10.422 -7.631 8.739 1.00 0.00 H new ATOM 0 HB THR A 38 9.422 -9.710 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.041 -9.305 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.652 -11.802 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.681 -10.621 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.382 -10.904 6.850 1.00 0.00 H new ATOM 583 N GLY A 39 10.818 -8.234 5.661 1.00 0.00 N ATOM 584 CA GLY A 39 11.743 -8.130 4.545 1.00 0.00 C ATOM 585 C GLY A 39 11.162 -8.781 3.289 1.00 0.00 C ATOM 586 O GLY A 39 10.759 -8.089 2.355 1.00 0.00 O ATOM 0 H GLY A 39 9.834 -8.287 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.963 -7.081 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.687 -8.610 4.804 1.00 0.00 H new ATOM 590 N PHE A 40 11.136 -10.106 3.306 1.00 0.00 N ATOM 591 CA PHE A 40 10.611 -10.859 2.180 1.00 0.00 C ATOM 592 C PHE A 40 9.161 -10.467 1.886 1.00 0.00 C ATOM 593 O PHE A 40 8.855 -9.977 0.800 1.00 0.00 O ATOM 594 CB PHE A 40 10.657 -12.338 2.570 1.00 0.00 C ATOM 595 CG PHE A 40 10.708 -13.295 1.377 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.856 -13.427 0.660 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.605 -14.012 1.033 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.904 -14.315 -0.447 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.653 -14.900 -0.074 1.00 0.00 C ATOM 600 CZ PHE A 40 10.801 -15.033 -0.791 1.00 0.00 C ATOM 0 H PHE A 40 11.470 -10.677 4.082 1.00 0.00 H new ATOM 0 HA PHE A 40 11.203 -10.654 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.531 -12.510 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.779 -12.572 3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.731 -12.856 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.693 -13.906 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.816 -14.420 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.777 -15.470 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.837 -15.708 -1.633 1.00 0.00 H new ATOM 610 N GLN A 41 8.308 -10.697 2.873 1.00 0.00 N ATOM 611 CA GLN A 41 6.898 -10.373 2.734 1.00 0.00 C ATOM 612 C GLN A 41 6.731 -8.987 2.107 1.00 0.00 C ATOM 613 O GLN A 41 5.745 -8.729 1.418 1.00 0.00 O ATOM 614 CB GLN A 41 6.181 -10.455 4.083 1.00 0.00 C ATOM 615 CG GLN A 41 6.105 -11.901 4.576 1.00 0.00 C ATOM 616 CD GLN A 41 5.517 -12.817 3.502 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.114 -13.798 3.090 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.315 -12.444 3.072 1.00 0.00 N ATOM 0 H GLN A 41 8.566 -11.104 3.772 1.00 0.00 H new ATOM 0 HA GLN A 41 6.440 -11.107 2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.707 -9.844 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.175 -10.045 3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.101 -12.248 4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.492 -11.950 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.871 -11.612 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.838 -12.990 2.355 1.00 0.00 H new ATOM 627 N ARG A 42 7.709 -8.133 2.368 1.00 0.00 N ATOM 628 CA ARG A 42 7.683 -6.780 1.838 1.00 0.00 C ATOM 629 C ARG A 42 7.847 -6.803 0.317 1.00 0.00 C ATOM 630 O ARG A 42 7.044 -6.214 -0.406 1.00 0.00 O ATOM 631 CB ARG A 42 8.795 -5.927 2.451 1.00 0.00 C ATOM 632 CG ARG A 42 8.512 -4.436 2.256 1.00 0.00 C ATOM 633 CD ARG A 42 8.402 -3.717 3.602 1.00 0.00 C ATOM 634 NE ARG A 42 9.647 -3.906 4.380 1.00 0.00 N ATOM 635 CZ ARG A 42 10.759 -3.179 4.207 1.00 0.00 C ATOM 636 NH1 ARG A 42 10.788 -2.209 3.282 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.842 -3.420 4.958 1.00 0.00 N ATOM 0 H ARG A 42 8.525 -8.351 2.940 1.00 0.00 H new ATOM 0 HA ARG A 42 6.719 -6.341 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.884 -6.148 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.750 -6.183 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.308 -3.986 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.586 -4.308 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.221 -2.654 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.551 -4.104 4.162 1.00 0.00 H new ATOM 0 HE ARG A 42 9.659 -4.636 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.964 -2.025 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.634 -1.655 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.820 -4.158 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.688 -2.866 4.825 1.00 0.00 H new ATOM 651 N LYS A 43 8.891 -7.488 -0.124 1.00 0.00 N ATOM 652 CA LYS A 43 9.171 -7.595 -1.546 1.00 0.00 C ATOM 653 C LYS A 43 7.967 -8.223 -2.252 1.00 0.00 C ATOM 654 O LYS A 43 7.730 -7.964 -3.430 1.00 0.00 O ATOM 655 CB LYS A 43 10.482 -8.348 -1.779 1.00 0.00 C ATOM 656 CG LYS A 43 10.306 -9.847 -1.530 1.00 0.00 C ATOM 657 CD LYS A 43 11.154 -10.668 -2.503 1.00 0.00 C ATOM 658 CE LYS A 43 10.312 -11.745 -3.191 1.00 0.00 C ATOM 659 NZ LYS A 43 11.034 -12.300 -4.357 1.00 0.00 N ATOM 0 H LYS A 43 9.554 -7.975 0.479 1.00 0.00 H new ATOM 0 HA LYS A 43 9.317 -6.606 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.823 -8.183 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.254 -7.954 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.590 -10.085 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.256 -10.117 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.593 -10.010 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.980 -11.135 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.083 -12.543 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.361 -11.321 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.449 -13.029 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.231 -11.539 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.930 -12.722 -4.041 1.00 0.00 H new ATOM 673 N LEU A 44 7.239 -9.037 -1.501 1.00 0.00 N ATOM 674 CA LEU A 44 6.066 -9.704 -2.040 1.00 0.00 C ATOM 675 C LEU A 44 5.005 -8.658 -2.387 1.00 0.00 C ATOM 676 O LEU A 44 4.490 -8.638 -3.504 1.00 0.00 O ATOM 677 CB LEU A 44 5.573 -10.784 -1.075 1.00 0.00 C ATOM 678 CG LEU A 44 6.607 -11.831 -0.655 1.00 0.00 C ATOM 679 CD1 LEU A 44 6.042 -12.757 0.424 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.121 -12.610 -1.868 1.00 0.00 C ATOM 0 H LEU A 44 7.439 -9.250 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 44 6.315 -10.225 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.194 -10.296 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.731 -11.299 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 44 7.461 -11.313 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.797 -13.492 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.765 -12.169 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.162 -13.271 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.854 -13.348 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.288 -13.117 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.587 -11.921 -2.572 1.00 0.00 H new ATOM 692 N ILE A 45 4.708 -7.815 -1.408 1.00 0.00 N ATOM 693 CA ILE A 45 3.717 -6.769 -1.596 1.00 0.00 C ATOM 694 C ILE A 45 4.096 -5.927 -2.816 1.00 0.00 C ATOM 695 O ILE A 45 3.281 -5.727 -3.714 1.00 0.00 O ATOM 696 CB ILE A 45 3.549 -5.953 -0.313 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.961 -6.811 0.809 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.718 -4.695 -0.568 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.955 -6.049 2.136 1.00 0.00 C ATOM 0 H ILE A 45 5.136 -7.835 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 45 2.738 -7.203 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 45 4.535 -5.626 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.944 -7.107 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.542 -7.727 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.614 -4.133 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.216 -4.075 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.731 -4.979 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.532 -6.681 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.976 -5.776 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.353 -5.146 2.034 1.00 0.00 H new ATOM 711 N TYR A 46 5.335 -5.455 -2.807 1.00 0.00 N ATOM 712 CA TYR A 46 5.832 -4.639 -3.901 1.00 0.00 C ATOM 713 C TYR A 46 5.708 -5.376 -5.236 1.00 0.00 C ATOM 714 O TYR A 46 5.203 -4.822 -6.211 1.00 0.00 O ATOM 715 CB TYR A 46 7.312 -4.391 -3.604 1.00 0.00 C ATOM 716 CG TYR A 46 7.571 -3.189 -2.694 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.397 -1.907 -3.177 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.980 -3.385 -1.391 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.641 -0.776 -2.321 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.224 -2.253 -0.535 1.00 0.00 C ATOM 721 CZ TYR A 46 8.042 -1.005 -1.042 1.00 0.00 C ATOM 722 OH TYR A 46 8.273 0.064 -0.233 1.00 0.00 O ATOM 0 H TYR A 46 6.008 -5.622 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 46 5.261 -3.714 -3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.733 -5.283 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.841 -4.242 -4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.078 -1.753 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.117 -4.387 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.509 0.232 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.544 -2.392 0.487 1.00 0.00 H new ATOM 0 HH TYR A 46 7.693 0.808 -0.500 1.00 0.00 H new ATOM 732 N GLN A 47 6.179 -6.615 -5.237 1.00 0.00 N ATOM 733 CA GLN A 47 6.128 -7.434 -6.436 1.00 0.00 C ATOM 734 C GLN A 47 4.704 -7.470 -6.994 1.00 0.00 C ATOM 735 O GLN A 47 4.485 -7.174 -8.167 1.00 0.00 O ATOM 736 CB GLN A 47 6.643 -8.847 -6.157 1.00 0.00 C ATOM 737 CG GLN A 47 8.012 -9.069 -6.803 1.00 0.00 C ATOM 738 CD GLN A 47 7.865 -9.621 -8.223 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.611 -8.899 -9.173 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.038 -10.936 -8.313 1.00 0.00 N ATOM 0 H GLN A 47 6.598 -7.071 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 47 6.780 -6.986 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.715 -9.006 -5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.933 -9.579 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.562 -8.129 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.596 -9.763 -6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.249 -11.481 -7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.960 -11.400 -9.218 1.00 0.00 H new ATOM 749 N THR A 48 3.771 -7.835 -6.126 1.00 0.00 N ATOM 750 CA THR A 48 2.374 -7.914 -6.517 1.00 0.00 C ATOM 751 C THR A 48 1.887 -6.557 -7.029 1.00 0.00 C ATOM 752 O THR A 48 1.490 -6.433 -8.187 1.00 0.00 O ATOM 753 CB THR A 48 1.576 -8.434 -5.320 1.00 0.00 C ATOM 754 OG1 THR A 48 1.947 -9.807 -5.225 1.00 0.00 O ATOM 755 CG2 THR A 48 0.071 -8.472 -5.591 1.00 0.00 C ATOM 0 H THR A 48 3.956 -8.079 -5.153 1.00 0.00 H new ATOM 0 HA THR A 48 2.234 -8.609 -7.345 1.00 0.00 H new ATOM 0 HB THR A 48 1.772 -7.804 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.497 -9.943 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.448 -8.849 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.283 -7.467 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.130 -9.128 -6.438 1.00 0.00 H new ATOM 763 N LEU A 49 1.933 -5.574 -6.142 1.00 0.00 N ATOM 764 CA LEU A 49 1.501 -4.231 -6.490 1.00 0.00 C ATOM 765 C LEU A 49 2.229 -3.778 -7.757 1.00 0.00 C ATOM 766 O LEU A 49 1.768 -2.874 -8.452 1.00 0.00 O ATOM 767 CB LEU A 49 1.686 -3.285 -5.302 1.00 0.00 C ATOM 768 CG LEU A 49 0.931 -3.656 -4.024 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.170 -2.618 -2.925 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.559 -3.859 -4.307 1.00 0.00 C ATOM 0 H LEU A 49 2.263 -5.681 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 49 0.434 -4.219 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.749 -3.230 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.375 -2.286 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 49 1.322 -4.606 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.622 -2.906 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.235 -2.566 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.823 -1.642 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.072 -4.122 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.982 -2.938 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.685 -4.662 -5.033 1.00 0.00 H new ATOM 782 N SER A 50 3.354 -4.427 -8.019 1.00 0.00 N ATOM 783 CA SER A 50 4.150 -4.102 -9.190 1.00 0.00 C ATOM 784 C SER A 50 3.295 -4.222 -10.453 1.00 0.00 C ATOM 785 O SER A 50 3.393 -3.391 -11.355 1.00 0.00 O ATOM 786 CB SER A 50 5.377 -5.010 -9.291 1.00 0.00 C ATOM 787 OG SER A 50 6.474 -4.357 -9.925 1.00 0.00 O ATOM 0 H SER A 50 3.733 -5.176 -7.440 1.00 0.00 H new ATOM 0 HA SER A 50 4.500 -3.074 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.674 -5.331 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.118 -5.909 -9.850 1.00 0.00 H new ATOM 0 HG SER A 50 7.238 -4.969 -9.969 1.00 0.00 H new ATOM 793 N TRP A 51 2.476 -5.263 -10.479 1.00 0.00 N ATOM 794 CA TRP A 51 1.605 -5.503 -11.616 1.00 0.00 C ATOM 795 C TRP A 51 0.163 -5.255 -11.168 1.00 0.00 C ATOM 796 O TRP A 51 -0.670 -4.818 -11.961 1.00 0.00 O ATOM 797 CB TRP A 51 1.821 -6.906 -12.186 1.00 0.00 C ATOM 798 CG TRP A 51 1.916 -8.002 -11.123 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.017 -8.473 -10.520 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.819 -8.749 -10.557 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.710 -9.466 -9.611 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.331 -9.638 -9.634 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.561 -8.676 -10.816 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.534 -10.522 -8.896 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.344 -9.565 -10.070 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.844 -10.466 -9.138 1.00 0.00 C ATOM 0 H TRP A 51 2.397 -5.950 -9.730 1.00 0.00 H new ATOM 0 HA TRP A 51 1.839 -4.819 -12.432 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.001 -7.142 -12.864 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.736 -6.909 -12.779 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.018 -8.120 -10.720 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.373 -9.979 -9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.984 -7.988 -11.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.959 -11.209 -8.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.412 -9.549 -10.230 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.516 -11.121 -8.602 1.00 0.00 H new ATOM 817 N LYS A 52 -0.087 -5.545 -9.900 1.00 0.00 N ATOM 818 CA LYS A 52 -1.413 -5.358 -9.337 1.00 0.00 C ATOM 819 C LYS A 52 -1.793 -3.878 -9.415 1.00 0.00 C ATOM 820 O LYS A 52 -2.970 -3.540 -9.527 1.00 0.00 O ATOM 821 CB LYS A 52 -1.481 -5.937 -7.923 1.00 0.00 C ATOM 822 CG LYS A 52 -1.943 -7.396 -7.949 1.00 0.00 C ATOM 823 CD LYS A 52 -2.912 -7.685 -6.801 1.00 0.00 C ATOM 824 CE LYS A 52 -4.365 -7.597 -7.275 1.00 0.00 C ATOM 825 NZ LYS A 52 -5.077 -8.864 -6.998 1.00 0.00 N ATOM 0 H LYS A 52 0.607 -5.908 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.154 -5.908 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.500 -5.871 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.167 -5.345 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.428 -7.611 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.079 -8.056 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.717 -8.678 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.746 -6.974 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.869 -6.772 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.393 -7.383 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.070 -8.661 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.035 -9.476 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.626 -9.347 -6.195 1.00 0.00 H new ATOM 839 N TYR A 53 -0.772 -3.035 -9.352 1.00 0.00 N ATOM 840 CA TYR A 53 -0.984 -1.599 -9.414 1.00 0.00 C ATOM 841 C TYR A 53 0.303 -0.871 -9.810 1.00 0.00 C ATOM 842 O TYR A 53 1.034 -0.383 -8.950 1.00 0.00 O ATOM 843 CB TYR A 53 -1.384 -1.170 -8.001 1.00 0.00 C ATOM 844 CG TYR A 53 -2.588 -1.928 -7.438 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.865 -1.451 -7.652 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.396 -3.089 -6.717 1.00 0.00 C ATOM 847 CE1 TYR A 53 -4.998 -2.165 -7.122 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.530 -3.803 -6.187 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.774 -3.305 -6.416 1.00 0.00 C ATOM 850 OH TYR A 53 -5.844 -3.979 -5.915 1.00 0.00 O ATOM 0 H TYR A 53 0.203 -3.319 -9.259 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.744 -1.355 -10.156 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.533 -1.313 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.609 -0.104 -8.006 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.015 -0.543 -8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.396 -3.462 -6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.003 -1.803 -7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.395 -4.713 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.620 -3.839 -6.496 1.00 0.00 H new ATOM 860 N PRO A 54 0.547 -0.822 -11.147 1.00 0.00 N ATOM 861 CA PRO A 54 1.733 -0.162 -11.667 1.00 0.00 C ATOM 862 C PRO A 54 1.587 1.359 -11.602 1.00 0.00 C ATOM 863 O PRO A 54 2.535 2.063 -11.256 1.00 0.00 O ATOM 864 CB PRO A 54 1.882 -0.684 -13.087 1.00 0.00 C ATOM 865 CG PRO A 54 0.525 -1.253 -13.467 1.00 0.00 C ATOM 866 CD PRO A 54 -0.296 -1.389 -12.195 1.00 0.00 C ATOM 0 HA PRO A 54 2.626 -0.378 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.175 0.115 -13.768 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.656 -1.450 -13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.022 -0.598 -14.178 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.640 -2.222 -13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.242 -0.853 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.537 -2.432 -11.989 1.00 0.00 H new ATOM 874 N LYS A 55 0.393 1.822 -11.939 1.00 0.00 N ATOM 875 CA LYS A 55 0.111 3.248 -11.923 1.00 0.00 C ATOM 876 C LYS A 55 -1.299 3.478 -11.374 1.00 0.00 C ATOM 877 O LYS A 55 -2.285 3.119 -12.016 1.00 0.00 O ATOM 878 CB LYS A 55 0.338 3.854 -13.309 1.00 0.00 C ATOM 879 CG LYS A 55 -0.329 3.007 -14.395 1.00 0.00 C ATOM 880 CD LYS A 55 -1.240 3.863 -15.277 1.00 0.00 C ATOM 881 CE LYS A 55 -2.202 2.988 -16.083 1.00 0.00 C ATOM 882 NZ LYS A 55 -3.036 3.822 -16.976 1.00 0.00 N ATOM 0 H LYS A 55 -0.391 1.235 -12.225 1.00 0.00 H new ATOM 0 HA LYS A 55 0.801 3.766 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.062 4.867 -13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.407 3.928 -13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.435 2.531 -15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.910 2.209 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.807 4.556 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.635 4.465 -15.955 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.638 2.265 -16.673 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.840 2.419 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.216 3.309 -17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.941 4.034 -16.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.538 4.711 -17.186 1.00 0.00 H new ATOM 896 N GLY A 56 -1.349 4.077 -10.193 1.00 0.00 N ATOM 897 CA GLY A 56 -2.621 4.359 -9.551 1.00 0.00 C ATOM 898 C GLY A 56 -2.430 4.657 -8.062 1.00 0.00 C ATOM 899 O GLY A 56 -3.119 5.508 -7.502 1.00 0.00 O ATOM 0 H GLY A 56 -0.529 4.375 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.097 5.210 -10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.290 3.507 -9.672 1.00 0.00 H new ATOM 903 N ILE A 57 -1.490 3.939 -7.464 1.00 0.00 N ATOM 904 CA ILE A 57 -1.200 4.115 -6.052 1.00 0.00 C ATOM 905 C ILE A 57 0.301 4.354 -5.870 1.00 0.00 C ATOM 906 O ILE A 57 1.085 4.126 -6.790 1.00 0.00 O ATOM 907 CB ILE A 57 -1.736 2.932 -5.243 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.369 1.603 -5.905 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.244 3.062 -5.015 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.134 1.524 -6.180 1.00 0.00 C ATOM 0 H ILE A 57 -0.920 3.235 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.713 4.995 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.260 2.945 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.668 0.777 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.920 1.494 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.600 2.209 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.451 3.982 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.756 3.088 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.368 0.569 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.426 2.337 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.681 1.609 -5.241 1.00 0.00 H new ATOM 922 N HIS A 58 0.654 4.811 -4.678 1.00 0.00 N ATOM 923 CA HIS A 58 2.047 5.083 -4.364 1.00 0.00 C ATOM 924 C HIS A 58 2.424 4.386 -3.055 1.00 0.00 C ATOM 925 O HIS A 58 1.903 4.726 -1.994 1.00 0.00 O ATOM 926 CB HIS A 58 2.311 6.590 -4.330 1.00 0.00 C ATOM 927 CG HIS A 58 3.463 6.991 -3.441 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.655 7.490 -3.937 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.593 6.964 -2.083 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.459 7.747 -2.915 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.799 7.419 -1.767 1.00 0.00 N ATOM 0 H HIS A 58 0.000 5.000 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 58 2.686 4.678 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.510 6.937 -5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.409 7.099 -3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.841 6.629 -1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.461 8.146 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.171 7.509 -0.822 1.00 0.00 H new ATOM 939 N VAL A 59 3.326 3.423 -3.174 1.00 0.00 N ATOM 940 CA VAL A 59 3.779 2.675 -2.013 1.00 0.00 C ATOM 941 C VAL A 59 5.041 3.331 -1.450 1.00 0.00 C ATOM 942 O VAL A 59 5.938 3.707 -2.202 1.00 0.00 O ATOM 943 CB VAL A 59 3.984 1.205 -2.386 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.315 0.367 -1.149 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.760 0.648 -3.114 1.00 0.00 C ATOM 0 H VAL A 59 3.755 3.143 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 59 3.024 2.695 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 59 4.833 1.147 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.456 -0.674 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.230 0.742 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.495 0.435 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.932 -0.398 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.886 0.725 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.588 1.219 -4.026 1.00 0.00 H new ATOM 955 N GLU A 60 5.070 3.448 -0.130 1.00 0.00 N ATOM 956 CA GLU A 60 6.207 4.052 0.543 1.00 0.00 C ATOM 957 C GLU A 60 6.464 3.354 1.880 1.00 0.00 C ATOM 958 O GLU A 60 5.528 2.916 2.546 1.00 0.00 O ATOM 959 CB GLU A 60 5.994 5.554 0.740 1.00 0.00 C ATOM 960 CG GLU A 60 4.616 5.837 1.341 1.00 0.00 C ATOM 961 CD GLU A 60 4.089 7.200 0.888 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.939 8.083 0.639 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.849 7.329 0.800 1.00 0.00 O ATOM 0 H GLU A 60 4.324 3.135 0.491 1.00 0.00 H new ATOM 0 HA GLU A 60 7.087 3.924 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.769 5.952 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.090 6.067 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.918 5.055 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.677 5.810 2.429 1.00 0.00 H new ATOM 970 N THR A 61 7.739 3.274 2.234 1.00 0.00 N ATOM 971 CA THR A 61 8.131 2.637 3.480 1.00 0.00 C ATOM 972 C THR A 61 8.440 3.692 4.543 1.00 0.00 C ATOM 973 O THR A 61 9.487 4.337 4.498 1.00 0.00 O ATOM 974 CB THR A 61 9.309 1.707 3.185 1.00 0.00 C ATOM 975 OG1 THR A 61 8.712 0.580 2.550 1.00 0.00 O ATOM 976 CG2 THR A 61 9.932 1.130 4.458 1.00 0.00 C ATOM 0 H THR A 61 8.513 3.640 1.680 1.00 0.00 H new ATOM 0 HA THR A 61 7.319 2.036 3.890 1.00 0.00 H new ATOM 0 HB THR A 61 10.068 2.251 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.726 0.707 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.763 0.477 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.296 1.943 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.181 0.558 5.003 1.00 0.00 H new ATOM 984 N LEU A 62 7.511 3.837 5.476 1.00 0.00 N ATOM 985 CA LEU A 62 7.671 4.803 6.550 1.00 0.00 C ATOM 986 C LEU A 62 8.132 4.080 7.816 1.00 0.00 C ATOM 987 O LEU A 62 7.678 2.973 8.104 1.00 0.00 O ATOM 988 CB LEU A 62 6.387 5.614 6.737 1.00 0.00 C ATOM 989 CG LEU A 62 5.754 6.173 5.461 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.362 6.740 5.744 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.671 7.204 4.801 1.00 0.00 C ATOM 0 H LEU A 62 6.644 3.301 5.511 1.00 0.00 H new ATOM 0 HA LEU A 62 8.444 5.528 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.652 4.983 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.601 6.446 7.407 1.00 0.00 H new ATOM 0 HG LEU A 62 5.630 5.354 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.934 7.131 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.720 5.951 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.438 7.543 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.198 7.586 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.849 8.028 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.620 6.734 4.543 1.00 0.00 H new ATOM 1003 N GLU A 63 9.029 4.734 8.540 1.00 0.00 N ATOM 1004 CA GLU A 63 9.557 4.167 9.769 1.00 0.00 C ATOM 1005 C GLU A 63 9.335 5.131 10.936 1.00 0.00 C ATOM 1006 O GLU A 63 9.689 6.306 10.852 1.00 0.00 O ATOM 1007 CB GLU A 63 11.039 3.818 9.620 1.00 0.00 C ATOM 1008 CG GLU A 63 11.641 3.399 10.962 1.00 0.00 C ATOM 1009 CD GLU A 63 12.751 4.361 11.390 1.00 0.00 C ATOM 1010 OE1 GLU A 63 13.611 4.654 10.531 1.00 0.00 O ATOM 1011 OE2 GLU A 63 12.715 4.783 12.566 1.00 0.00 O ATOM 0 H GLU A 63 9.403 5.652 8.299 1.00 0.00 H new ATOM 0 HA GLU A 63 9.020 3.242 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.155 3.010 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.581 4.678 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.861 3.376 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.041 2.388 10.885 1.00 0.00 H new ATOM 1018 N THR A 64 8.750 4.598 11.999 1.00 0.00 N ATOM 1019 CA THR A 64 8.477 5.397 13.182 1.00 0.00 C ATOM 1020 C THR A 64 9.153 4.781 14.409 1.00 0.00 C ATOM 1021 O THR A 64 10.223 4.184 14.299 1.00 0.00 O ATOM 1022 CB THR A 64 6.959 5.526 13.325 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.533 4.219 13.700 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.264 5.775 11.985 1.00 0.00 C ATOM 0 H THR A 64 8.458 3.623 12.066 1.00 0.00 H new ATOM 0 HA THR A 64 8.895 6.399 13.088 1.00 0.00 H new ATOM 0 HB THR A 64 6.727 6.341 14.011 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.294 4.213 14.650 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.189 5.859 12.143 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.639 6.700 11.547 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.468 4.944 11.309 1.00 0.00 H new ATOM 1032 N ASP A 65 8.500 4.947 15.550 1.00 0.00 N ATOM 1033 CA ASP A 65 9.025 4.415 16.796 1.00 0.00 C ATOM 1034 C ASP A 65 8.446 3.019 17.033 1.00 0.00 C ATOM 1035 O ASP A 65 9.185 2.037 17.079 1.00 0.00 O ATOM 1036 CB ASP A 65 8.629 5.298 17.982 1.00 0.00 C ATOM 1037 CG ASP A 65 9.766 5.626 18.952 1.00 0.00 C ATOM 1038 OD1 ASP A 65 10.670 4.772 19.075 1.00 0.00 O ATOM 1039 OD2 ASP A 65 9.705 6.723 19.547 1.00 0.00 O ATOM 0 H ASP A 65 7.613 5.442 15.638 1.00 0.00 H new ATOM 0 HA ASP A 65 10.112 4.382 16.717 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.218 6.232 17.599 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.832 4.802 18.535 1.00 0.00 H new ATOM 1044 N LYS A 66 7.130 2.975 17.177 1.00 0.00 N ATOM 1045 CA LYS A 66 6.444 1.715 17.408 1.00 0.00 C ATOM 1046 C LYS A 66 6.017 1.118 16.065 1.00 0.00 C ATOM 1047 O LYS A 66 6.127 -0.089 15.856 1.00 0.00 O ATOM 1048 CB LYS A 66 5.287 1.907 18.390 1.00 0.00 C ATOM 1049 CG LYS A 66 4.172 2.749 17.767 1.00 0.00 C ATOM 1050 CD LYS A 66 2.987 2.886 18.725 1.00 0.00 C ATOM 1051 CE LYS A 66 3.272 3.933 19.804 1.00 0.00 C ATOM 1052 NZ LYS A 66 2.136 4.873 19.927 1.00 0.00 N ATOM 0 H LYS A 66 6.520 3.792 17.138 1.00 0.00 H new ATOM 0 HA LYS A 66 7.116 0.997 17.878 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.892 0.935 18.686 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.651 2.392 19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.556 3.737 17.514 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.840 2.288 16.836 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.094 3.168 18.167 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.780 1.924 19.193 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.449 3.440 20.760 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.180 4.482 19.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.346 5.577 20.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.986 5.357 19.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.277 4.347 20.186 1.00 0.00 H new ATOM 1066 N LYS A 67 5.540 1.991 15.190 1.00 0.00 N ATOM 1067 CA LYS A 67 5.097 1.565 13.874 1.00 0.00 C ATOM 1068 C LYS A 67 6.255 0.877 13.148 1.00 0.00 C ATOM 1069 O LYS A 67 6.088 -0.210 12.598 1.00 0.00 O ATOM 1070 CB LYS A 67 4.502 2.745 13.101 1.00 0.00 C ATOM 1071 CG LYS A 67 3.196 2.345 12.412 1.00 0.00 C ATOM 1072 CD LYS A 67 2.136 3.438 12.571 1.00 0.00 C ATOM 1073 CE LYS A 67 0.861 2.876 13.203 1.00 0.00 C ATOM 1074 NZ LYS A 67 -0.158 3.940 13.348 1.00 0.00 N ATOM 0 H LYS A 67 5.451 2.992 15.367 1.00 0.00 H new ATOM 0 HA LYS A 67 4.295 0.833 13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.318 3.576 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.218 3.095 12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.380 2.163 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.828 1.411 12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.529 4.244 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.904 3.869 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.467 2.069 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.090 2.448 14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.017 3.542 13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.215 4.697 13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.389 4.330 12.412 1.00 0.00 H new ATOM 1088 N GLU A 68 7.403 1.538 13.171 1.00 0.00 N ATOM 1089 CA GLU A 68 8.588 1.003 12.523 1.00 0.00 C ATOM 1090 C GLU A 68 8.371 0.915 11.011 1.00 0.00 C ATOM 1091 O GLU A 68 7.269 1.160 10.523 1.00 0.00 O ATOM 1092 CB GLU A 68 8.961 -0.362 13.103 1.00 0.00 C ATOM 1093 CG GLU A 68 9.560 -0.217 14.504 1.00 0.00 C ATOM 1094 CD GLU A 68 9.348 -1.491 15.325 1.00 0.00 C ATOM 1095 OE1 GLU A 68 8.199 -1.693 15.774 1.00 0.00 O ATOM 1096 OE2 GLU A 68 10.341 -2.234 15.485 1.00 0.00 O ATOM 0 H GLU A 68 7.538 2.440 13.628 1.00 0.00 H new ATOM 0 HA GLU A 68 9.420 1.681 12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.076 -0.997 13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.677 -0.857 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.626 -0.003 14.427 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.100 0.630 15.014 1.00 0.00 H new ATOM 1103 N ARG A 69 9.441 0.566 10.312 1.00 0.00 N ATOM 1104 CA ARG A 69 9.382 0.443 8.865 1.00 0.00 C ATOM 1105 C ARG A 69 8.141 -0.350 8.450 1.00 0.00 C ATOM 1106 O ARG A 69 8.127 -1.577 8.533 1.00 0.00 O ATOM 1107 CB ARG A 69 10.630 -0.255 8.320 1.00 0.00 C ATOM 1108 CG ARG A 69 11.833 0.690 8.327 1.00 0.00 C ATOM 1109 CD ARG A 69 13.127 -0.068 8.024 1.00 0.00 C ATOM 1110 NE ARG A 69 13.478 -0.946 9.163 1.00 0.00 N ATOM 1111 CZ ARG A 69 14.260 -2.029 9.063 1.00 0.00 C ATOM 1112 NH1 ARG A 69 14.778 -2.375 7.876 1.00 0.00 N ATOM 1113 NH2 ARG A 69 14.525 -2.767 10.150 1.00 0.00 N ATOM 0 H ARG A 69 10.354 0.365 10.720 1.00 0.00 H new ATOM 0 HA ARG A 69 9.331 1.449 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.851 -1.136 8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.442 -0.603 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.686 1.477 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.912 1.177 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.006 -0.663 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.936 0.638 7.835 1.00 0.00 H new ATOM 0 HE ARG A 69 13.101 -0.712 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.577 -1.814 7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.373 -3.200 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.131 -2.504 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.120 -3.592 10.074 1.00 0.00 H new ATOM 1127 N HIS A 70 7.128 0.384 8.012 1.00 0.00 N ATOM 1128 CA HIS A 70 5.886 -0.235 7.584 1.00 0.00 C ATOM 1129 C HIS A 70 5.498 0.294 6.201 1.00 0.00 C ATOM 1130 O HIS A 70 5.725 1.463 5.895 1.00 0.00 O ATOM 1131 CB HIS A 70 4.787 -0.027 8.628 1.00 0.00 C ATOM 1132 CG HIS A 70 4.089 1.308 8.526 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.775 1.499 8.916 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.535 2.516 8.076 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.455 2.767 8.706 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.548 3.396 8.184 1.00 0.00 N ATOM 0 H HIS A 70 7.143 1.402 7.945 1.00 0.00 H new ATOM 0 HA HIS A 70 6.024 -1.313 7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.047 -0.821 8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.222 -0.123 9.623 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.157 0.784 9.300 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.525 2.721 7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.498 3.223 8.912 1.00 0.00 H new ATOM 1144 N ILE A 71 4.921 -0.593 5.404 1.00 0.00 N ATOM 1145 CA ILE A 71 4.500 -0.230 4.062 1.00 0.00 C ATOM 1146 C ILE A 71 3.286 0.698 4.146 1.00 0.00 C ATOM 1147 O ILE A 71 2.370 0.458 4.930 1.00 0.00 O ATOM 1148 CB ILE A 71 4.258 -1.483 3.218 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.579 -2.070 2.717 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.288 -1.194 2.072 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.383 -3.494 2.194 1.00 0.00 C ATOM 0 H ILE A 71 4.735 -1.562 5.662 1.00 0.00 H new ATOM 0 HA ILE A 71 5.290 0.322 3.552 1.00 0.00 H new ATOM 0 HB ILE A 71 3.791 -2.236 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.984 -1.440 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.310 -2.073 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.134 -2.101 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.334 -0.858 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.703 -0.416 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.337 -3.888 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.001 -4.127 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.670 -3.484 1.369 1.00 0.00 H new ATOM 1163 N VAL A 72 3.319 1.739 3.327 1.00 0.00 N ATOM 1164 CA VAL A 72 2.233 2.704 3.299 1.00 0.00 C ATOM 1165 C VAL A 72 1.859 3.002 1.846 1.00 0.00 C ATOM 1166 O VAL A 72 2.733 3.179 0.999 1.00 0.00 O ATOM 1167 CB VAL A 72 2.626 3.957 4.084 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.802 5.166 3.636 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.488 3.726 5.590 1.00 0.00 C ATOM 0 H VAL A 72 4.081 1.935 2.678 1.00 0.00 H new ATOM 0 HA VAL A 72 1.347 2.296 3.786 1.00 0.00 H new ATOM 0 HB VAL A 72 3.674 4.170 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.101 6.043 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.973 5.350 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.743 4.967 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.773 4.632 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.454 3.476 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.138 2.906 5.893 1.00 0.00 H new ATOM 1179 N ILE A 73 0.557 3.047 1.601 1.00 0.00 N ATOM 1180 CA ILE A 73 0.056 3.321 0.264 1.00 0.00 C ATOM 1181 C ILE A 73 -0.596 4.704 0.242 1.00 0.00 C ATOM 1182 O ILE A 73 -1.089 5.178 1.264 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.871 2.196 -0.201 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.091 0.899 -0.425 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.658 2.613 -1.445 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.076 0.126 0.885 1.00 0.00 C ATOM 0 H ILE A 73 -0.166 2.898 2.305 1.00 0.00 H new ATOM 0 HA ILE A 73 0.876 3.344 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.596 2.003 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.612 0.278 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.889 1.128 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.309 1.795 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.262 3.491 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.964 2.850 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.634 -0.792 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.619 0.740 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.906 -0.122 1.289 1.00 0.00 H new ATOM 1198 N SER A 74 -0.577 5.313 -0.934 1.00 0.00 N ATOM 1199 CA SER A 74 -1.161 6.633 -1.103 1.00 0.00 C ATOM 1200 C SER A 74 -1.967 6.687 -2.403 1.00 0.00 C ATOM 1201 O SER A 74 -1.784 5.850 -3.286 1.00 0.00 O ATOM 1202 CB SER A 74 -0.081 7.717 -1.103 1.00 0.00 C ATOM 1203 OG SER A 74 -0.352 8.741 -2.057 1.00 0.00 O ATOM 0 H SER A 74 -0.166 4.917 -1.779 1.00 0.00 H new ATOM 0 HA SER A 74 -1.828 6.822 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.010 8.158 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.886 7.265 -1.321 1.00 0.00 H new ATOM 0 HG SER A 74 0.359 9.414 -2.025 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.842 7.679 -2.478 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.676 7.852 -3.655 1.00 0.00 C ATOM 1211 C LYS A 75 -2.873 8.566 -4.744 1.00 0.00 C ATOM 1212 O LYS A 75 -2.327 9.644 -4.512 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.980 8.563 -3.287 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.013 7.571 -2.750 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.339 8.270 -2.444 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.522 7.326 -2.668 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.737 8.093 -3.023 1.00 0.00 N ATOM 0 H LYS A 75 -2.991 8.371 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.970 6.883 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.782 9.329 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.381 9.072 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.176 6.779 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.631 7.097 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.339 8.621 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.446 9.149 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.285 6.619 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.704 6.741 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.565 7.667 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.631 9.078 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.870 8.075 -4.054 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.826 7.937 -5.909 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.099 8.499 -7.034 1.00 0.00 C ATOM 1233 C VAL A 76 -3.038 8.617 -8.236 1.00 0.00 C ATOM 1234 O VAL A 76 -4.104 8.003 -8.258 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.856 7.655 -7.328 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.135 8.159 -8.579 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.087 7.631 -6.123 1.00 0.00 C ATOM 0 H VAL A 76 -3.280 7.043 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.747 9.503 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.182 6.633 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.744 7.542 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.807 8.101 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.173 9.194 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.962 7.025 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.402 8.647 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.431 7.204 -5.264 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.609 9.409 -9.207 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.399 9.616 -10.409 1.00 0.00 C ATOM 1249 C ASP A 77 -2.474 9.620 -11.628 1.00 0.00 C ATOM 1250 O ASP A 77 -1.288 9.925 -11.510 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.128 10.960 -10.365 1.00 0.00 C ATOM 1252 CG ASP A 77 -5.197 11.151 -11.443 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.518 10.143 -12.109 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -5.668 12.301 -11.577 1.00 0.00 O ATOM 0 H ASP A 77 -1.724 9.916 -9.186 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.131 8.811 -10.474 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.596 11.071 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.392 11.759 -10.459 1.00 0.00 H new ATOM 1259 N GLU A 78 -3.051 9.277 -12.770 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.293 9.238 -14.009 1.00 0.00 C ATOM 1261 C GLU A 78 -1.583 10.573 -14.240 1.00 0.00 C ATOM 1262 O GLU A 78 -0.371 10.609 -14.445 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.195 8.884 -15.193 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.847 7.505 -15.755 1.00 0.00 C ATOM 1265 CD GLU A 78 -3.872 6.458 -15.314 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -4.906 6.349 -16.007 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -3.598 5.790 -14.293 1.00 0.00 O ATOM 0 H GLU A 78 -4.035 9.024 -12.863 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.537 8.457 -13.925 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.238 8.899 -14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.088 9.637 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.813 7.550 -16.844 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.853 7.211 -15.417 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.369 11.640 -14.199 1.00 0.00 N ATOM 1275 CA GLU A 79 -1.831 12.974 -14.401 1.00 0.00 C ATOM 1276 C GLU A 79 -0.763 13.281 -13.349 1.00 0.00 C ATOM 1277 O GLU A 79 0.178 14.027 -13.614 1.00 0.00 O ATOM 1278 CB GLU A 79 -2.943 14.024 -14.375 1.00 0.00 C ATOM 1279 CG GLU A 79 -3.869 13.811 -13.176 1.00 0.00 C ATOM 1280 CD GLU A 79 -4.074 15.116 -12.403 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -3.079 15.586 -11.810 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -5.220 15.614 -12.424 1.00 0.00 O ATOM 0 H GLU A 79 -3.374 11.607 -14.029 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.365 13.011 -15.386 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.506 15.021 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.520 13.971 -15.298 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.832 13.432 -13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.446 13.055 -12.515 1.00 0.00 H new ATOM 1289 N GLU A 80 -0.944 12.689 -12.178 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.008 12.890 -11.085 1.00 0.00 C ATOM 1291 C GLU A 80 1.417 12.575 -11.542 1.00 0.00 C ATOM 1292 O GLU A 80 2.278 13.454 -11.553 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.394 12.043 -9.870 1.00 0.00 C ATOM 1294 CG GLU A 80 0.124 12.674 -8.576 1.00 0.00 C ATOM 1295 CD GLU A 80 -1.018 12.903 -7.583 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -2.076 13.390 -8.037 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -0.807 12.586 -6.393 1.00 0.00 O ATOM 0 H GLU A 80 -1.725 12.070 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.049 13.937 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.478 11.943 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.014 11.038 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.877 12.026 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.612 13.623 -8.800 1.00 0.00 H new ATOM 1304 N ARG A 81 1.623 11.319 -11.909 1.00 0.00 N ATOM 1305 CA ARG A 81 2.930 10.877 -12.367 1.00 0.00 C ATOM 1306 C ARG A 81 3.366 11.688 -13.588 1.00 0.00 C ATOM 1307 O ARG A 81 2.544 12.032 -14.436 1.00 0.00 O ATOM 1308 CB ARG A 81 2.913 9.391 -12.729 1.00 0.00 C ATOM 1309 CG ARG A 81 4.290 8.759 -12.514 1.00 0.00 C ATOM 1310 CD ARG A 81 4.631 8.684 -11.024 1.00 0.00 C ATOM 1311 NE ARG A 81 5.599 7.591 -10.781 1.00 0.00 N ATOM 1312 CZ ARG A 81 5.314 6.289 -10.926 1.00 0.00 C ATOM 1313 NH1 ARG A 81 4.088 5.911 -11.313 1.00 0.00 N ATOM 1314 NH2 ARG A 81 6.255 5.367 -10.683 1.00 0.00 N ATOM 0 H ARG A 81 0.907 10.593 -11.899 1.00 0.00 H new ATOM 0 HA ARG A 81 3.637 11.032 -11.552 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.172 8.873 -12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.612 9.270 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.306 7.758 -12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 81 5.048 9.343 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.050 9.633 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.725 8.514 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 81 6.542 7.844 -10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.372 6.614 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.871 4.921 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.188 5.656 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.039 4.376 -10.793 1.00 0.00 H new ATOM 1328 N SER A 82 4.660 11.971 -13.640 1.00 0.00 N ATOM 1329 CA SER A 82 5.216 12.735 -14.744 1.00 0.00 C ATOM 1330 C SER A 82 5.488 11.813 -15.934 1.00 0.00 C ATOM 1331 O SER A 82 5.131 12.133 -17.066 1.00 0.00 O ATOM 1332 CB SER A 82 6.500 13.454 -14.325 1.00 0.00 C ATOM 1333 OG SER A 82 7.533 12.539 -13.972 1.00 0.00 O ATOM 0 H SER A 82 5.339 11.685 -12.935 1.00 0.00 H new ATOM 0 HA SER A 82 4.488 13.491 -15.038 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.842 14.090 -15.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.290 14.108 -13.478 1.00 0.00 H new ATOM 0 HG SER A 82 8.336 13.037 -13.712 1.00 0.00 H new ATOM 1339 N GLY A 83 6.119 10.686 -15.636 1.00 0.00 N ATOM 1340 CA GLY A 83 6.443 9.715 -16.668 1.00 0.00 C ATOM 1341 C GLY A 83 7.507 10.263 -17.621 1.00 0.00 C ATOM 1342 O GLY A 83 7.675 11.476 -17.739 1.00 0.00 O ATOM 0 H GLY A 83 6.414 10.424 -14.696 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.802 8.795 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.543 9.461 -17.229 1.00 0.00 H new ATOM 1346 N PRO A 84 8.216 9.319 -18.295 1.00 0.00 N ATOM 1347 CA PRO A 84 9.259 9.694 -19.235 1.00 0.00 C ATOM 1348 C PRO A 84 8.658 10.223 -20.539 1.00 0.00 C ATOM 1349 O PRO A 84 7.438 10.296 -20.679 1.00 0.00 O ATOM 1350 CB PRO A 84 10.085 8.433 -19.430 1.00 0.00 C ATOM 1351 CG PRO A 84 9.208 7.284 -18.961 1.00 0.00 C ATOM 1352 CD PRO A 84 8.044 7.873 -18.182 1.00 0.00 C ATOM 0 HA PRO A 84 9.882 10.510 -18.868 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.366 8.308 -20.476 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.010 8.479 -18.855 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.845 6.709 -19.813 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.779 6.599 -18.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.088 7.554 -18.597 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.062 7.552 -17.140 1.00 0.00 H new ATOM 1360 N SER A 85 9.542 10.578 -21.459 1.00 0.00 N ATOM 1361 CA SER A 85 9.114 11.098 -22.747 1.00 0.00 C ATOM 1362 C SER A 85 8.786 9.943 -23.695 1.00 0.00 C ATOM 1363 O SER A 85 7.676 9.861 -24.219 1.00 0.00 O ATOM 1364 CB SER A 85 10.186 12.001 -23.360 1.00 0.00 C ATOM 1365 OG SER A 85 10.567 13.053 -22.478 1.00 0.00 O ATOM 0 H SER A 85 10.553 10.516 -21.339 1.00 0.00 H new ATOM 0 HA SER A 85 8.217 11.698 -22.593 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.062 11.404 -23.612 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.812 12.426 -24.291 1.00 0.00 H new ATOM 0 HG SER A 85 11.254 13.606 -22.906 1.00 0.00 H new ATOM 1371 N SER A 86 9.772 9.079 -23.887 1.00 0.00 N ATOM 1372 CA SER A 86 9.603 7.932 -24.763 1.00 0.00 C ATOM 1373 C SER A 86 8.899 6.800 -24.012 1.00 0.00 C ATOM 1374 O SER A 86 7.851 6.322 -24.444 1.00 0.00 O ATOM 1375 CB SER A 86 10.949 7.451 -25.307 1.00 0.00 C ATOM 1376 OG SER A 86 11.274 8.067 -26.550 1.00 0.00 O ATOM 0 H SER A 86 10.691 9.150 -23.451 1.00 0.00 H new ATOM 0 HA SER A 86 8.988 8.236 -25.610 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.732 7.667 -24.580 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.922 6.369 -25.435 1.00 0.00 H new ATOM 0 HG SER A 86 12.141 7.735 -26.863 1.00 0.00 H new ATOM 1382 N GLY A 87 9.503 6.404 -22.902 1.00 0.00 N ATOM 1383 CA GLY A 87 8.946 5.337 -22.087 1.00 0.00 C ATOM 1384 C GLY A 87 9.973 4.829 -21.073 1.00 0.00 C ATOM 1385 O GLY A 87 9.629 4.088 -20.153 1.00 0.00 O ATOM 0 H GLY A 87 10.372 6.802 -22.547 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.061 5.698 -21.564 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.624 4.515 -22.727 1.00 0.00 H new TER 1389 GLY A 87