USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 159:sc= -0.0808 (180deg=-0.445) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.48) USER MOD Single : A 7 GLN : amide:sc= -2.32 K(o=-2.3,f=-3.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 137:sc= -6.67! (180deg=-14.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -2.15! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -153:sc= -0.0504 (180deg=-0.564) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.3 USER MOD Single : A 72 THR OG1 : rot 99:sc= 0.159 USER MOD Single : A 81 MET CE :methyl 135:sc= -0.687 (180deg=-3.51!) USER MOD Single : A 82 MET CE :methyl -158:sc= -0.0706 (180deg=-0.43) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 166:sc= -3.71! (180deg=-4.15!) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.854 7.535 -11.862 1.00 0.00 N ATOM 2 CA ALA A 1 -24.901 7.546 -12.992 1.00 0.00 C ATOM 3 C ALA A 1 -23.512 7.042 -12.513 1.00 0.00 C ATOM 4 O ALA A 1 -23.262 6.926 -11.308 1.00 0.00 O ATOM 5 CB ALA A 1 -24.821 8.960 -13.597 1.00 0.00 C ATOM 0 H1 ALA A 1 -26.617 6.855 -12.058 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.357 7.257 -10.992 1.00 0.00 H new ATOM 0 H3 ALA A 1 -26.260 8.485 -11.741 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.248 6.871 -13.775 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.117 8.960 -14.429 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.806 9.259 -13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.483 9.663 -12.836 1.00 0.00 H new ATOM 13 N SER A 2 -22.632 6.719 -13.479 1.00 0.00 N ATOM 14 CA SER A 2 -21.271 6.191 -13.193 1.00 0.00 C ATOM 15 C SER A 2 -20.487 7.203 -12.315 1.00 0.00 C ATOM 16 O SER A 2 -20.866 8.376 -12.212 1.00 0.00 O ATOM 17 CB SER A 2 -20.549 5.883 -14.525 1.00 0.00 C ATOM 18 OG SER A 2 -19.407 5.059 -14.319 1.00 0.00 O ATOM 0 H SER A 2 -22.835 6.813 -14.474 1.00 0.00 H new ATOM 0 HA SER A 2 -21.337 5.260 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.239 5.387 -15.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.245 6.816 -15.000 1.00 0.00 H new ATOM 0 HG SER A 2 -18.973 4.880 -15.179 1.00 0.00 H new ATOM 24 N MET A 3 -19.381 6.734 -11.708 1.00 0.00 N ATOM 25 CA MET A 3 -18.533 7.564 -10.811 1.00 0.00 C ATOM 26 C MET A 3 -17.039 7.215 -11.051 1.00 0.00 C ATOM 27 O MET A 3 -16.239 8.081 -11.426 1.00 0.00 O ATOM 28 CB MET A 3 -18.961 7.345 -9.333 1.00 0.00 C ATOM 29 CG MET A 3 -19.738 6.046 -9.048 1.00 0.00 C ATOM 30 SD MET A 3 -20.510 6.099 -7.414 1.00 0.00 S ATOM 31 CE MET A 3 -21.831 7.301 -7.671 1.00 0.00 C ATOM 0 H MET A 3 -19.046 5.777 -11.820 1.00 0.00 H new ATOM 0 HA MET A 3 -18.667 8.623 -11.033 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.067 7.356 -8.710 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.576 8.190 -9.023 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.503 5.900 -9.811 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.062 5.193 -9.107 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.598 7.168 -6.908 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.423 8.310 -7.603 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.271 7.153 -8.657 1.00 0.00 H new ATOM 41 N THR A 4 -16.676 5.943 -10.800 1.00 0.00 N ATOM 42 CA THR A 4 -15.302 5.425 -11.035 1.00 0.00 C ATOM 43 C THR A 4 -14.330 5.964 -9.950 1.00 0.00 C ATOM 44 O THR A 4 -13.269 6.513 -10.269 1.00 0.00 O ATOM 45 CB THR A 4 -14.848 5.690 -12.504 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.940 5.445 -13.385 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.630 4.903 -13.029 1.00 0.00 C ATOM 0 H THR A 4 -17.319 5.243 -10.430 1.00 0.00 H new ATOM 0 HA THR A 4 -15.293 4.340 -10.928 1.00 0.00 H new ATOM 0 HB THR A 4 -14.521 6.730 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.659 5.612 -14.309 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.430 5.189 -14.062 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.758 5.129 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.840 3.834 -12.982 1.00 0.00 H new ATOM 55 N ASP A 5 -14.696 5.771 -8.669 1.00 0.00 N ATOM 56 CA ASP A 5 -13.888 6.236 -7.510 1.00 0.00 C ATOM 57 C ASP A 5 -12.405 5.814 -7.708 1.00 0.00 C ATOM 58 O ASP A 5 -11.494 6.477 -7.196 1.00 0.00 O ATOM 59 CB ASP A 5 -14.477 5.723 -6.163 1.00 0.00 C ATOM 60 CG ASP A 5 -16.008 5.588 -6.103 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.714 6.471 -6.638 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.507 4.603 -5.515 1.00 0.00 O ATOM 0 H ASP A 5 -15.555 5.291 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.927 7.324 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.038 4.750 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.161 6.400 -5.370 1.00 0.00 H new ATOM 67 N GLN A 6 -12.185 4.694 -8.420 1.00 0.00 N ATOM 68 CA GLN A 6 -10.839 4.089 -8.613 1.00 0.00 C ATOM 69 C GLN A 6 -9.836 5.210 -8.997 1.00 0.00 C ATOM 70 O GLN A 6 -9.089 5.705 -8.143 1.00 0.00 O ATOM 71 CB GLN A 6 -10.909 2.961 -9.683 1.00 0.00 C ATOM 72 CG GLN A 6 -9.668 2.802 -10.595 1.00 0.00 C ATOM 73 CD GLN A 6 -9.400 1.361 -11.064 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.032 0.864 -11.996 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.464 0.663 -10.438 1.00 0.00 N ATOM 0 H GLN A 6 -12.932 4.176 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.491 3.626 -7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.081 2.014 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.777 3.143 -10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.793 3.438 -11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.791 3.165 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.945 1.083 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.262 -0.294 -10.727 1.00 0.00 H new ATOM 84 N GLN A 7 -9.814 5.578 -10.292 1.00 0.00 N ATOM 85 CA GLN A 7 -8.847 6.564 -10.841 1.00 0.00 C ATOM 86 C GLN A 7 -9.522 7.960 -10.925 1.00 0.00 C ATOM 87 O GLN A 7 -9.087 8.815 -11.712 1.00 0.00 O ATOM 88 CB GLN A 7 -8.352 6.135 -12.255 1.00 0.00 C ATOM 89 CG GLN A 7 -9.439 6.010 -13.347 1.00 0.00 C ATOM 90 CD GLN A 7 -9.490 4.604 -13.968 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.463 3.956 -14.166 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.675 4.100 -14.282 1.00 0.00 N ATOM 0 H GLN A 7 -10.460 5.206 -10.989 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.985 6.609 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.609 6.857 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.845 5.174 -12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.411 6.249 -12.916 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.248 6.743 -14.131 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.521 4.644 -14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.741 3.168 -14.691 1.00 0.00 H new ATOM 101 N ALA A 8 -10.575 8.188 -10.120 1.00 0.00 N ATOM 102 CA ALA A 8 -11.315 9.478 -10.090 1.00 0.00 C ATOM 103 C ALA A 8 -10.635 10.451 -9.088 1.00 0.00 C ATOM 104 O ALA A 8 -10.291 11.585 -9.440 1.00 0.00 O ATOM 105 CB ALA A 8 -12.787 9.212 -9.721 1.00 0.00 C ATOM 0 H ALA A 8 -10.942 7.491 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.292 9.948 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.333 10.155 -9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.235 8.552 -10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.837 8.740 -8.740 1.00 0.00 H new ATOM 111 N GLU A 9 -10.477 9.995 -7.831 1.00 0.00 N ATOM 112 CA GLU A 9 -9.931 10.821 -6.722 1.00 0.00 C ATOM 113 C GLU A 9 -8.380 10.804 -6.789 1.00 0.00 C ATOM 114 O GLU A 9 -7.721 11.793 -6.443 1.00 0.00 O ATOM 115 CB GLU A 9 -10.452 10.343 -5.335 1.00 0.00 C ATOM 116 CG GLU A 9 -10.280 8.839 -5.017 1.00 0.00 C ATOM 117 CD GLU A 9 -10.318 8.533 -3.518 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.018 9.251 -2.770 1.00 0.00 O ATOM 119 OE2 GLU A 9 -9.652 7.568 -3.080 1.00 0.00 O ATOM 0 H GLU A 9 -10.722 9.046 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.280 11.847 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.941 10.916 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.512 10.588 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.068 8.276 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.332 8.493 -5.428 1.00 0.00 H new ATOM 126 N ALA A 10 -7.811 9.659 -7.210 1.00 0.00 N ATOM 127 CA ALA A 10 -6.340 9.443 -7.231 1.00 0.00 C ATOM 128 C ALA A 10 -5.677 10.410 -8.250 1.00 0.00 C ATOM 129 O ALA A 10 -4.570 10.909 -8.019 1.00 0.00 O ATOM 130 CB ALA A 10 -6.051 7.967 -7.565 1.00 0.00 C ATOM 0 H ALA A 10 -8.348 8.859 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.913 9.660 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.974 7.802 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.504 7.327 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.470 7.726 -8.542 1.00 0.00 H new ATOM 136 N ARG A 11 -6.376 10.658 -9.373 1.00 0.00 N ATOM 137 CA ARG A 11 -5.850 11.470 -10.502 1.00 0.00 C ATOM 138 C ARG A 11 -5.954 12.967 -10.103 1.00 0.00 C ATOM 139 O ARG A 11 -4.977 13.717 -10.212 1.00 0.00 O ATOM 140 CB ARG A 11 -6.641 11.173 -11.808 1.00 0.00 C ATOM 141 CG ARG A 11 -6.572 12.282 -12.883 1.00 0.00 C ATOM 142 CD ARG A 11 -6.776 11.740 -14.311 1.00 0.00 C ATOM 143 NE ARG A 11 -8.190 11.365 -14.562 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.954 11.867 -15.554 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.791 13.112 -15.981 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.919 11.144 -16.105 1.00 0.00 N ATOM 0 H ARG A 11 -7.320 10.305 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.809 11.216 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.264 10.246 -12.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.686 11.003 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.332 13.034 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.605 12.781 -12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.466 12.495 -15.034 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.137 10.871 -14.464 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.615 10.678 -13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.079 13.707 -15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.378 13.474 -16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.093 10.193 -15.780 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.488 11.539 -16.854 1.00 0.00 H new ATOM 160 N ALA A 12 -7.152 13.380 -9.643 1.00 0.00 N ATOM 161 CA ALA A 12 -7.395 14.764 -9.153 1.00 0.00 C ATOM 162 C ALA A 12 -6.319 15.146 -8.100 1.00 0.00 C ATOM 163 O ALA A 12 -5.932 16.315 -7.989 1.00 0.00 O ATOM 164 CB ALA A 12 -8.821 14.863 -8.578 1.00 0.00 C ATOM 0 H ALA A 12 -7.973 12.777 -9.598 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.316 15.472 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.999 15.877 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.545 14.621 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.929 14.161 -7.751 1.00 0.00 H new ATOM 170 N PHE A 13 -5.871 14.150 -7.314 1.00 0.00 N ATOM 171 CA PHE A 13 -4.868 14.355 -6.236 1.00 0.00 C ATOM 172 C PHE A 13 -3.515 14.793 -6.862 1.00 0.00 C ATOM 173 O PHE A 13 -3.064 15.926 -6.661 1.00 0.00 O ATOM 174 CB PHE A 13 -4.760 13.054 -5.389 1.00 0.00 C ATOM 175 CG PHE A 13 -3.888 13.169 -4.122 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.492 13.124 -4.219 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.483 13.322 -2.864 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.705 13.227 -3.075 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.693 13.425 -1.721 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.305 13.376 -1.827 1.00 0.00 C ATOM 0 H PHE A 13 -6.187 13.184 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.175 15.155 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.763 12.747 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.356 12.261 -6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.024 13.009 -5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.559 13.360 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.629 13.191 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.157 13.543 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.693 13.454 -0.940 1.00 0.00 H new ATOM 190 N LEU A 14 -2.899 13.882 -7.639 1.00 0.00 N ATOM 191 CA LEU A 14 -1.575 14.114 -8.274 1.00 0.00 C ATOM 192 C LEU A 14 -1.747 15.218 -9.353 1.00 0.00 C ATOM 193 O LEU A 14 -2.575 15.089 -10.261 1.00 0.00 O ATOM 194 CB LEU A 14 -1.008 12.795 -8.880 1.00 0.00 C ATOM 195 CG LEU A 14 -1.228 11.483 -8.071 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.180 10.415 -8.443 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.217 11.719 -6.547 1.00 0.00 C ATOM 0 H LEU A 14 -3.298 12.967 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.851 14.445 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.450 12.660 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.064 12.925 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.219 11.120 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.360 9.511 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.257 10.185 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.819 10.794 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.375 10.772 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.255 12.138 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.013 12.414 -6.281 1.00 0.00 H new ATOM 209 N SER A 15 -0.973 16.311 -9.216 1.00 0.00 N ATOM 210 CA SER A 15 -0.999 17.451 -10.170 1.00 0.00 C ATOM 211 C SER A 15 -0.238 17.067 -11.468 1.00 0.00 C ATOM 212 O SER A 15 -0.003 15.883 -11.736 1.00 0.00 O ATOM 213 CB SER A 15 -0.406 18.706 -9.489 1.00 0.00 C ATOM 214 OG SER A 15 -1.087 19.889 -9.894 1.00 0.00 O ATOM 0 H SER A 15 -0.314 16.435 -8.448 1.00 0.00 H new ATOM 0 HA SER A 15 -2.025 17.684 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.472 18.599 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.652 18.791 -9.737 1.00 0.00 H new ATOM 0 HG SER A 15 -0.690 20.665 -9.445 1.00 0.00 H new ATOM 220 N GLU A 16 0.118 18.085 -12.275 1.00 0.00 N ATOM 221 CA GLU A 16 0.828 17.888 -13.566 1.00 0.00 C ATOM 222 C GLU A 16 2.336 17.662 -13.269 1.00 0.00 C ATOM 223 O GLU A 16 2.997 16.857 -13.935 1.00 0.00 O ATOM 224 CB GLU A 16 0.555 19.085 -14.521 1.00 0.00 C ATOM 225 CG GLU A 16 1.166 18.991 -15.940 1.00 0.00 C ATOM 226 CD GLU A 16 2.153 20.114 -16.273 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.971 21.248 -15.776 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.118 19.867 -17.030 1.00 0.00 O ATOM 0 H GLU A 16 -0.074 19.063 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 16 0.457 17.005 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.524 19.202 -14.621 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.931 19.992 -14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.675 18.033 -16.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.359 19.002 -16.673 1.00 0.00 H new ATOM 235 N GLU A 17 2.856 18.389 -12.260 1.00 0.00 N ATOM 236 CA GLU A 17 4.299 18.360 -11.899 1.00 0.00 C ATOM 237 C GLU A 17 4.549 17.130 -10.985 1.00 0.00 C ATOM 238 O GLU A 17 5.595 16.477 -11.077 1.00 0.00 O ATOM 239 CB GLU A 17 4.731 19.711 -11.256 1.00 0.00 C ATOM 240 CG GLU A 17 4.231 20.999 -11.952 1.00 0.00 C ATOM 241 CD GLU A 17 5.330 21.796 -12.661 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.341 21.192 -13.081 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.188 23.032 -12.799 1.00 0.00 O ATOM 0 H GLU A 17 2.298 19.010 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 17 4.921 18.249 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.382 19.724 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.820 19.741 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.465 20.731 -12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.755 21.639 -11.209 1.00 0.00 H new ATOM 250 N MET A 18 3.566 16.819 -10.119 1.00 0.00 N ATOM 251 CA MET A 18 3.683 15.728 -9.115 1.00 0.00 C ATOM 252 C MET A 18 3.725 14.378 -9.882 1.00 0.00 C ATOM 253 O MET A 18 4.450 13.454 -9.493 1.00 0.00 O ATOM 254 CB MET A 18 2.524 15.781 -8.080 1.00 0.00 C ATOM 255 CG MET A 18 2.716 16.758 -6.904 1.00 0.00 C ATOM 256 SD MET A 18 3.797 16.023 -5.657 1.00 0.00 S ATOM 257 CE MET A 18 2.623 15.027 -4.715 1.00 0.00 C ATOM 0 H MET A 18 2.672 17.309 -10.090 1.00 0.00 H new ATOM 0 HA MET A 18 4.599 15.845 -8.536 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.607 16.049 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.378 14.780 -7.675 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.146 17.693 -7.264 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.750 17.001 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.147 14.513 -3.909 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.853 15.674 -4.294 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.159 14.292 -5.373 1.00 0.00 H new ATOM 267 N ILE A 19 2.938 14.283 -10.970 1.00 0.00 N ATOM 268 CA ILE A 19 2.774 13.030 -11.754 1.00 0.00 C ATOM 269 C ILE A 19 4.159 12.726 -12.386 1.00 0.00 C ATOM 270 O ILE A 19 4.555 11.559 -12.505 1.00 0.00 O ATOM 271 CB ILE A 19 1.584 13.130 -12.781 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.191 12.890 -12.117 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.764 12.180 -13.996 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.018 13.480 -12.862 1.00 0.00 C ATOM 0 H ILE A 19 2.396 15.067 -11.335 1.00 0.00 H new ATOM 0 HA ILE A 19 2.482 12.190 -11.124 1.00 0.00 H new ATOM 0 HB ILE A 19 1.609 14.157 -13.146 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.040 11.816 -12.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.213 13.308 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.916 12.289 -14.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.684 12.434 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.819 11.149 -13.647 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.931 13.253 -12.311 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.903 14.561 -12.944 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.078 13.045 -13.860 1.00 0.00 H new ATOM 286 N ALA A 20 4.872 13.784 -12.816 1.00 0.00 N ATOM 287 CA ALA A 20 6.164 13.653 -13.543 1.00 0.00 C ATOM 288 C ALA A 20 7.202 12.902 -12.665 1.00 0.00 C ATOM 289 O ALA A 20 8.059 12.176 -13.182 1.00 0.00 O ATOM 290 CB ALA A 20 6.658 15.056 -13.944 1.00 0.00 C ATOM 0 H ALA A 20 4.578 14.750 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 20 6.026 13.064 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.605 14.970 -14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.919 15.531 -14.590 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.800 15.661 -13.049 1.00 0.00 H new ATOM 296 N GLU A 21 7.127 13.115 -11.338 1.00 0.00 N ATOM 297 CA GLU A 21 8.111 12.562 -10.370 1.00 0.00 C ATOM 298 C GLU A 21 8.046 11.012 -10.435 1.00 0.00 C ATOM 299 O GLU A 21 9.071 10.328 -10.328 1.00 0.00 O ATOM 300 CB GLU A 21 7.852 13.139 -8.949 1.00 0.00 C ATOM 301 CG GLU A 21 8.430 14.545 -8.658 1.00 0.00 C ATOM 302 CD GLU A 21 9.831 14.531 -8.038 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.950 14.283 -6.818 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.819 14.765 -8.769 1.00 0.00 O ATOM 0 H GLU A 21 6.391 13.670 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 21 9.127 12.860 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.775 13.173 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.264 12.443 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.462 15.112 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.753 15.072 -7.986 1.00 0.00 H new ATOM 311 N PHE A 22 6.821 10.474 -10.582 1.00 0.00 N ATOM 312 CA PHE A 22 6.567 9.009 -10.603 1.00 0.00 C ATOM 313 C PHE A 22 6.902 8.460 -12.018 1.00 0.00 C ATOM 314 O PHE A 22 7.254 7.282 -12.163 1.00 0.00 O ATOM 315 CB PHE A 22 5.097 8.704 -10.188 1.00 0.00 C ATOM 316 CG PHE A 22 4.688 9.220 -8.793 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.323 8.736 -7.643 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.692 10.196 -8.666 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.961 9.216 -6.386 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.326 10.667 -7.407 1.00 0.00 C ATOM 321 CZ PHE A 22 3.962 10.178 -6.269 1.00 0.00 C ATOM 0 H PHE A 22 5.976 11.036 -10.690 1.00 0.00 H new ATOM 0 HA PHE A 22 7.208 8.507 -9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.429 9.141 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.944 7.625 -10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.097 7.988 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.205 10.585 -9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.456 8.841 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.549 11.411 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.680 10.546 -5.294 1.00 0.00 H new ATOM 331 N LYS A 23 6.755 9.311 -13.049 1.00 0.00 N ATOM 332 CA LYS A 23 6.971 8.934 -14.473 1.00 0.00 C ATOM 333 C LYS A 23 8.305 8.145 -14.576 1.00 0.00 C ATOM 334 O LYS A 23 8.399 7.161 -15.322 1.00 0.00 O ATOM 335 CB LYS A 23 6.997 10.191 -15.392 1.00 0.00 C ATOM 336 CG LYS A 23 5.860 10.332 -16.433 1.00 0.00 C ATOM 337 CD LYS A 23 6.324 10.736 -17.848 1.00 0.00 C ATOM 338 CE LYS A 23 5.489 10.073 -18.959 1.00 0.00 C ATOM 339 NZ LYS A 23 6.230 10.017 -20.231 1.00 0.00 N ATOM 0 H LYS A 23 6.482 10.286 -12.926 1.00 0.00 H new ATOM 0 HA LYS A 23 6.145 8.309 -14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.983 11.075 -14.755 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.947 10.199 -15.927 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.326 9.384 -16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.148 11.075 -16.074 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.263 11.819 -17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.372 10.463 -17.974 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.211 9.064 -18.654 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.563 10.630 -19.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.639 9.565 -20.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.473 10.982 -20.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.102 9.465 -20.101 1.00 0.00 H new ATOM 353 N ALA A 24 9.335 8.608 -13.844 1.00 0.00 N ATOM 354 CA ALA A 24 10.699 8.018 -13.900 1.00 0.00 C ATOM 355 C ALA A 24 10.628 6.492 -13.615 1.00 0.00 C ATOM 356 O ALA A 24 11.048 5.669 -14.438 1.00 0.00 O ATOM 357 CB ALA A 24 11.607 8.750 -12.893 1.00 0.00 C ATOM 0 H ALA A 24 9.254 9.395 -13.200 1.00 0.00 H new ATOM 0 HA ALA A 24 11.124 8.143 -14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.609 8.322 -12.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.655 9.808 -13.149 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.200 8.638 -11.888 1.00 0.00 H new ATOM 363 N ALA A 25 10.084 6.133 -12.438 1.00 0.00 N ATOM 364 CA ALA A 25 10.009 4.724 -11.971 1.00 0.00 C ATOM 365 C ALA A 25 9.084 3.884 -12.896 1.00 0.00 C ATOM 366 O ALA A 25 9.244 2.660 -12.991 1.00 0.00 O ATOM 367 CB ALA A 25 9.520 4.707 -10.508 1.00 0.00 C ATOM 0 H ALA A 25 9.684 6.803 -11.782 1.00 0.00 H new ATOM 0 HA ALA A 25 10.998 4.269 -12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.462 3.677 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.219 5.265 -9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.534 5.167 -10.449 1.00 0.00 H new ATOM 373 N PHE A 26 8.105 4.550 -13.542 1.00 0.00 N ATOM 374 CA PHE A 26 7.076 3.863 -14.370 1.00 0.00 C ATOM 375 C PHE A 26 7.803 3.126 -15.529 1.00 0.00 C ATOM 376 O PHE A 26 7.447 1.992 -15.876 1.00 0.00 O ATOM 377 CB PHE A 26 6.001 4.861 -14.896 1.00 0.00 C ATOM 378 CG PHE A 26 5.062 4.290 -15.985 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.565 3.955 -17.248 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.697 4.123 -15.724 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.713 3.466 -18.235 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.847 3.642 -16.717 1.00 0.00 C ATOM 383 CZ PHE A 26 3.358 3.295 -17.964 1.00 0.00 C ATOM 0 H PHE A 26 8.000 5.564 -13.510 1.00 0.00 H new ATOM 0 HA PHE A 26 6.535 3.139 -13.762 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.396 5.198 -14.054 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.507 5.740 -15.297 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.618 4.076 -17.457 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.302 4.368 -14.749 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.103 3.219 -19.211 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.790 3.538 -16.519 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.703 2.893 -18.722 1.00 0.00 H new ATOM 393 N ASP A 27 8.801 3.794 -16.136 1.00 0.00 N ATOM 394 CA ASP A 27 9.566 3.241 -17.285 1.00 0.00 C ATOM 395 C ASP A 27 10.407 2.032 -16.786 1.00 0.00 C ATOM 396 O ASP A 27 10.535 1.024 -17.491 1.00 0.00 O ATOM 397 CB ASP A 27 10.436 4.330 -17.976 1.00 0.00 C ATOM 398 CG ASP A 27 9.671 5.493 -18.632 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.259 5.359 -19.806 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.488 6.543 -17.979 1.00 0.00 O ATOM 0 H ASP A 27 9.103 4.726 -15.852 1.00 0.00 H new ATOM 0 HA ASP A 27 8.874 2.893 -18.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.120 4.744 -17.235 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.047 3.848 -18.739 1.00 0.00 H new ATOM 405 N MET A 28 10.995 2.166 -15.581 1.00 0.00 N ATOM 406 CA MET A 28 11.840 1.104 -14.969 1.00 0.00 C ATOM 407 C MET A 28 11.052 -0.232 -15.049 1.00 0.00 C ATOM 408 O MET A 28 11.525 -1.209 -15.640 1.00 0.00 O ATOM 409 CB MET A 28 12.251 1.457 -13.511 1.00 0.00 C ATOM 410 CG MET A 28 12.554 0.262 -12.588 1.00 0.00 C ATOM 411 SD MET A 28 12.879 0.844 -10.908 1.00 0.00 S ATOM 412 CE MET A 28 11.478 1.951 -10.642 1.00 0.00 C ATOM 0 H MET A 28 10.903 3.002 -15.004 1.00 0.00 H new ATOM 0 HA MET A 28 12.777 1.011 -15.518 1.00 0.00 H new ATOM 0 HB2 MET A 28 13.134 2.095 -13.548 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.451 2.045 -13.061 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.711 -0.429 -12.585 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.416 -0.289 -12.964 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.076 1.795 -9.641 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.807 2.985 -10.744 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.704 1.742 -11.380 1.00 0.00 H new ATOM 422 N PHE A 29 9.860 -0.260 -14.421 1.00 0.00 N ATOM 423 CA PHE A 29 9.001 -1.476 -14.378 1.00 0.00 C ATOM 424 C PHE A 29 8.717 -1.925 -15.837 1.00 0.00 C ATOM 425 O PHE A 29 8.585 -3.123 -16.114 1.00 0.00 O ATOM 426 CB PHE A 29 7.689 -1.207 -13.584 1.00 0.00 C ATOM 427 CG PHE A 29 7.876 -0.899 -12.085 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.094 -0.398 -11.609 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.823 -1.104 -11.186 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.257 -0.116 -10.254 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.988 -0.820 -9.832 1.00 0.00 C ATOM 432 CZ PHE A 29 8.207 -0.335 -9.367 1.00 0.00 C ATOM 0 H PHE A 29 9.463 0.543 -13.934 1.00 0.00 H new ATOM 0 HA PHE A 29 9.516 -2.280 -13.852 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.169 -0.369 -14.048 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.041 -2.078 -13.681 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.911 -0.229 -12.295 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.878 -1.484 -11.544 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.198 0.272 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.171 -0.976 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.338 -0.128 -8.315 1.00 0.00 H new ATOM 442 N ASP A 30 8.599 -0.945 -16.752 1.00 0.00 N ATOM 443 CA ASP A 30 8.295 -1.203 -18.185 1.00 0.00 C ATOM 444 C ASP A 30 9.464 -2.017 -18.803 1.00 0.00 C ATOM 445 O ASP A 30 10.395 -2.421 -18.096 1.00 0.00 O ATOM 446 CB ASP A 30 8.009 0.118 -18.958 1.00 0.00 C ATOM 447 CG ASP A 30 7.078 -0.001 -20.177 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.272 -0.956 -20.233 1.00 0.00 O ATOM 449 OD2 ASP A 30 7.157 0.858 -21.083 1.00 0.00 O ATOM 0 H ASP A 30 8.710 0.044 -16.528 1.00 0.00 H new ATOM 0 HA ASP A 30 7.381 -1.791 -18.266 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.574 0.836 -18.262 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.960 0.534 -19.291 1.00 0.00 H new ATOM 454 N ALA A 31 9.403 -2.238 -20.129 1.00 0.00 N ATOM 455 CA ALA A 31 10.441 -3.000 -20.874 1.00 0.00 C ATOM 456 C ALA A 31 10.544 -2.469 -22.331 1.00 0.00 C ATOM 457 O ALA A 31 11.643 -2.200 -22.829 1.00 0.00 O ATOM 458 CB ALA A 31 10.095 -4.501 -20.832 1.00 0.00 C ATOM 0 H ALA A 31 8.642 -1.899 -20.717 1.00 0.00 H new ATOM 0 HA ALA A 31 11.417 -2.863 -20.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.853 -5.064 -21.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.066 -4.839 -19.796 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.121 -4.663 -21.294 1.00 0.00 H new ATOM 464 N ASP A 32 9.384 -2.355 -23.005 1.00 0.00 N ATOM 465 CA ASP A 32 9.301 -1.913 -24.422 1.00 0.00 C ATOM 466 C ASP A 32 9.097 -0.375 -24.453 1.00 0.00 C ATOM 467 O ASP A 32 9.915 0.362 -25.017 1.00 0.00 O ATOM 468 CB ASP A 32 8.191 -2.681 -25.198 1.00 0.00 C ATOM 469 CG ASP A 32 6.854 -2.865 -24.461 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.785 -3.698 -23.530 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.868 -2.181 -24.815 1.00 0.00 O ATOM 0 H ASP A 32 8.476 -2.565 -22.589 1.00 0.00 H new ATOM 0 HA ASP A 32 10.233 -2.150 -24.936 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.998 -2.154 -26.132 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.576 -3.666 -25.462 1.00 0.00 H new ATOM 476 N GLY A 33 7.980 0.094 -23.864 1.00 0.00 N ATOM 477 CA GLY A 33 7.633 1.540 -23.826 1.00 0.00 C ATOM 478 C GLY A 33 6.098 1.761 -23.892 1.00 0.00 C ATOM 479 O GLY A 33 5.329 1.120 -23.166 1.00 0.00 O ATOM 0 H GLY A 33 7.295 -0.506 -23.404 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.026 1.985 -22.912 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.111 2.052 -24.661 1.00 0.00 H new ATOM 483 N GLY A 34 5.663 2.659 -24.799 1.00 0.00 N ATOM 484 CA GLY A 34 4.222 2.922 -25.041 1.00 0.00 C ATOM 485 C GLY A 34 3.639 3.799 -23.904 1.00 0.00 C ATOM 486 O GLY A 34 3.789 5.027 -23.902 1.00 0.00 O ATOM 0 H GLY A 34 6.288 3.218 -25.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.093 3.424 -26.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.678 1.979 -25.099 1.00 0.00 H new ATOM 490 N GLY A 35 2.942 3.149 -22.949 1.00 0.00 N ATOM 491 CA GLY A 35 2.230 3.854 -21.854 1.00 0.00 C ATOM 492 C GLY A 35 1.404 2.844 -21.016 1.00 0.00 C ATOM 493 O GLY A 35 0.306 3.163 -20.543 1.00 0.00 O ATOM 0 H GLY A 35 2.855 2.133 -22.911 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.948 4.367 -21.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.572 4.617 -22.270 1.00 0.00 H new ATOM 497 N ASP A 36 1.960 1.631 -20.829 1.00 0.00 N ATOM 498 CA ASP A 36 1.270 0.515 -20.130 1.00 0.00 C ATOM 499 C ASP A 36 2.273 -0.658 -19.955 1.00 0.00 C ATOM 500 O ASP A 36 3.234 -0.792 -20.723 1.00 0.00 O ATOM 501 CB ASP A 36 -0.029 0.087 -20.872 1.00 0.00 C ATOM 502 CG ASP A 36 0.152 -0.434 -22.308 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.693 -1.549 -22.483 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.251 0.266 -23.263 1.00 0.00 O ATOM 0 H ASP A 36 2.897 1.392 -21.155 1.00 0.00 H new ATOM 0 HA ASP A 36 0.945 0.846 -19.144 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.520 -0.689 -20.285 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.706 0.941 -20.900 1.00 0.00 H new ATOM 509 N ILE A 37 2.055 -1.489 -18.917 1.00 0.00 N ATOM 510 CA ILE A 37 2.946 -2.618 -18.537 1.00 0.00 C ATOM 511 C ILE A 37 2.170 -3.955 -18.699 1.00 0.00 C ATOM 512 O ILE A 37 1.027 -4.080 -18.240 1.00 0.00 O ATOM 513 CB ILE A 37 3.599 -2.463 -17.112 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.316 -1.102 -16.848 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.520 -3.667 -16.788 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.445 -0.688 -15.373 1.00 0.00 C ATOM 0 H ILE A 37 1.244 -1.399 -18.305 1.00 0.00 H new ATOM 0 HA ILE A 37 3.798 -2.614 -19.216 1.00 0.00 H new ATOM 0 HB ILE A 37 2.758 -2.459 -16.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.315 -1.149 -17.281 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.775 -0.319 -17.379 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.958 -3.534 -15.799 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.936 -4.587 -16.806 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.315 -3.727 -17.531 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.958 0.271 -15.308 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.452 -0.599 -14.932 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.016 -1.442 -14.832 1.00 0.00 H new ATOM 528 N SER A 38 2.814 -4.956 -19.328 1.00 0.00 N ATOM 529 CA SER A 38 2.245 -6.324 -19.465 1.00 0.00 C ATOM 530 C SER A 38 2.569 -7.156 -18.194 1.00 0.00 C ATOM 531 O SER A 38 3.162 -6.644 -17.238 1.00 0.00 O ATOM 532 CB SER A 38 2.788 -6.980 -20.755 1.00 0.00 C ATOM 533 OG SER A 38 3.843 -7.893 -20.471 1.00 0.00 O ATOM 0 H SER A 38 3.735 -4.849 -19.754 1.00 0.00 H new ATOM 0 HA SER A 38 1.160 -6.277 -19.552 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.980 -7.503 -21.266 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.147 -6.207 -21.434 1.00 0.00 H new ATOM 0 HG SER A 38 4.164 -8.292 -21.306 1.00 0.00 H new ATOM 539 N THR A 39 2.195 -8.449 -18.221 1.00 0.00 N ATOM 540 CA THR A 39 2.422 -9.392 -17.094 1.00 0.00 C ATOM 541 C THR A 39 3.856 -9.977 -17.210 1.00 0.00 C ATOM 542 O THR A 39 4.500 -10.273 -16.195 1.00 0.00 O ATOM 543 CB THR A 39 1.323 -10.500 -17.027 1.00 0.00 C ATOM 544 OG1 THR A 39 0.691 -10.659 -18.295 1.00 0.00 O ATOM 545 CG2 THR A 39 0.223 -10.270 -15.973 1.00 0.00 C ATOM 0 H THR A 39 1.727 -8.875 -19.021 1.00 0.00 H new ATOM 0 HA THR A 39 2.342 -8.852 -16.150 1.00 0.00 H new ATOM 0 HB THR A 39 1.867 -11.396 -16.729 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.007 -11.358 -18.234 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.491 -11.093 -16.006 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.674 -10.220 -14.982 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.293 -9.334 -16.184 1.00 0.00 H new ATOM 553 N LYS A 40 4.342 -10.142 -18.454 1.00 0.00 N ATOM 554 CA LYS A 40 5.696 -10.693 -18.729 1.00 0.00 C ATOM 555 C LYS A 40 6.758 -9.665 -18.254 1.00 0.00 C ATOM 556 O LYS A 40 7.697 -10.015 -17.528 1.00 0.00 O ATOM 557 CB LYS A 40 5.806 -11.058 -20.238 1.00 0.00 C ATOM 558 CG LYS A 40 7.171 -11.610 -20.721 1.00 0.00 C ATOM 559 CD LYS A 40 7.520 -11.528 -22.227 1.00 0.00 C ATOM 560 CE LYS A 40 7.027 -12.688 -23.119 1.00 0.00 C ATOM 561 NZ LYS A 40 5.870 -12.339 -23.963 1.00 0.00 N ATOM 0 H LYS A 40 3.818 -9.902 -19.295 1.00 0.00 H new ATOM 0 HA LYS A 40 5.876 -11.615 -18.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.039 -11.798 -20.466 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.573 -10.167 -20.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.952 -11.084 -20.172 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.226 -12.658 -20.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.110 -10.598 -22.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.604 -11.463 -22.322 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.846 -13.015 -23.759 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.761 -13.534 -22.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.595 -13.164 -24.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.073 -12.054 -23.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.125 -11.552 -24.593 1.00 0.00 H new ATOM 575 N GLU A 41 6.609 -8.403 -18.699 1.00 0.00 N ATOM 576 CA GLU A 41 7.596 -7.324 -18.432 1.00 0.00 C ATOM 577 C GLU A 41 7.671 -7.071 -16.901 1.00 0.00 C ATOM 578 O GLU A 41 8.764 -6.946 -16.335 1.00 0.00 O ATOM 579 CB GLU A 41 7.254 -6.036 -19.236 1.00 0.00 C ATOM 580 CG GLU A 41 6.163 -6.137 -20.331 1.00 0.00 C ATOM 581 CD GLU A 41 5.866 -4.815 -21.046 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.558 -3.810 -20.773 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.936 -4.776 -21.883 1.00 0.00 O ATOM 0 H GLU A 41 5.808 -8.097 -19.251 1.00 0.00 H new ATOM 0 HA GLU A 41 8.583 -7.636 -18.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.945 -5.269 -18.525 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.171 -5.682 -19.708 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.474 -6.875 -21.070 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.243 -6.507 -19.878 1.00 0.00 H new ATOM 590 N LEU A 42 6.495 -6.969 -16.254 1.00 0.00 N ATOM 591 CA LEU A 42 6.389 -6.620 -14.812 1.00 0.00 C ATOM 592 C LEU A 42 7.134 -7.710 -13.996 1.00 0.00 C ATOM 593 O LEU A 42 7.762 -7.419 -12.972 1.00 0.00 O ATOM 594 CB LEU A 42 4.896 -6.491 -14.381 1.00 0.00 C ATOM 595 CG LEU A 42 4.568 -5.504 -13.224 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.195 -5.817 -12.595 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.655 -5.492 -12.129 1.00 0.00 C ATOM 0 H LEU A 42 5.594 -7.124 -16.706 1.00 0.00 H new ATOM 0 HA LEU A 42 6.850 -5.651 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.318 -6.190 -15.255 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.543 -7.480 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 42 4.538 -4.511 -13.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.994 -5.110 -11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.418 -5.731 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.201 -6.831 -12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.376 -4.786 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.751 -6.490 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.608 -5.191 -12.565 1.00 0.00 H new ATOM 609 N GLY A 43 7.028 -8.973 -14.451 1.00 0.00 N ATOM 610 CA GLY A 43 7.585 -10.144 -13.729 1.00 0.00 C ATOM 611 C GLY A 43 9.072 -9.904 -13.358 1.00 0.00 C ATOM 612 O GLY A 43 9.562 -10.430 -12.349 1.00 0.00 O ATOM 0 H GLY A 43 6.558 -9.215 -15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.005 -10.329 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.500 -11.035 -14.351 1.00 0.00 H new ATOM 616 N THR A 44 9.779 -9.121 -14.194 1.00 0.00 N ATOM 617 CA THR A 44 11.239 -8.881 -14.046 1.00 0.00 C ATOM 618 C THR A 44 11.489 -8.118 -12.716 1.00 0.00 C ATOM 619 O THR A 44 12.229 -8.590 -11.845 1.00 0.00 O ATOM 620 CB THR A 44 11.841 -8.147 -15.285 1.00 0.00 C ATOM 621 OG1 THR A 44 12.280 -9.086 -16.263 1.00 0.00 O ATOM 622 CG2 THR A 44 13.014 -7.197 -14.978 1.00 0.00 C ATOM 0 H THR A 44 9.363 -8.636 -14.989 1.00 0.00 H new ATOM 0 HA THR A 44 11.759 -9.838 -14.001 1.00 0.00 H new ATOM 0 HB THR A 44 11.020 -7.532 -15.653 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.652 -8.607 -17.032 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.361 -6.737 -15.903 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.683 -6.421 -14.288 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.830 -7.761 -14.525 1.00 0.00 H new ATOM 630 N VAL A 45 10.884 -6.921 -12.595 1.00 0.00 N ATOM 631 CA VAL A 45 11.097 -6.005 -11.442 1.00 0.00 C ATOM 632 C VAL A 45 10.699 -6.774 -10.152 1.00 0.00 C ATOM 633 O VAL A 45 11.289 -6.558 -9.084 1.00 0.00 O ATOM 634 CB VAL A 45 10.340 -4.642 -11.625 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.656 -4.116 -10.339 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.253 -3.519 -12.176 1.00 0.00 C ATOM 0 H VAL A 45 10.233 -6.556 -13.290 1.00 0.00 H new ATOM 0 HA VAL A 45 12.146 -5.717 -11.369 1.00 0.00 H new ATOM 0 HB VAL A 45 9.565 -4.884 -12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.156 -3.171 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.922 -4.844 -9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.407 -3.962 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.676 -2.600 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.080 -3.351 -11.486 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.647 -3.814 -13.149 1.00 0.00 H new ATOM 646 N MET A 46 9.679 -7.646 -10.256 1.00 0.00 N ATOM 647 CA MET A 46 9.122 -8.390 -9.095 1.00 0.00 C ATOM 648 C MET A 46 10.205 -9.385 -8.596 1.00 0.00 C ATOM 649 O MET A 46 10.366 -9.588 -7.386 1.00 0.00 O ATOM 650 CB MET A 46 7.792 -9.106 -9.464 1.00 0.00 C ATOM 651 CG MET A 46 6.513 -8.255 -9.341 1.00 0.00 C ATOM 652 SD MET A 46 5.445 -8.927 -8.048 1.00 0.00 S ATOM 653 CE MET A 46 4.604 -7.436 -7.475 1.00 0.00 C ATOM 0 H MET A 46 9.215 -7.859 -11.139 1.00 0.00 H new ATOM 0 HA MET A 46 8.872 -7.697 -8.292 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.868 -9.466 -10.490 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.685 -9.983 -8.825 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.774 -7.223 -9.108 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.982 -8.242 -10.293 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.911 -7.694 -6.675 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.340 -6.724 -7.102 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.053 -6.988 -8.302 1.00 0.00 H new ATOM 663 N ARG A 47 10.934 -10.001 -9.545 1.00 0.00 N ATOM 664 CA ARG A 47 11.930 -11.064 -9.246 1.00 0.00 C ATOM 665 C ARG A 47 13.169 -10.429 -8.557 1.00 0.00 C ATOM 666 O ARG A 47 13.850 -11.089 -7.761 1.00 0.00 O ATOM 667 CB ARG A 47 12.328 -11.817 -10.547 1.00 0.00 C ATOM 668 CG ARG A 47 13.400 -11.120 -11.416 1.00 0.00 C ATOM 669 CD ARG A 47 14.611 -12.023 -11.727 1.00 0.00 C ATOM 670 NE ARG A 47 14.436 -12.774 -12.998 1.00 0.00 N ATOM 671 CZ ARG A 47 15.358 -12.857 -13.979 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.558 -12.281 -13.928 1.00 0.00 N ATOM 673 NH2 ARG A 47 15.054 -13.556 -15.058 1.00 0.00 N ATOM 0 H ARG A 47 10.855 -9.782 -10.538 1.00 0.00 H new ATOM 0 HA ARG A 47 11.491 -11.795 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.693 -12.808 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.432 -11.961 -11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.946 -10.797 -12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.746 -10.222 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.512 -11.412 -11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.758 -12.727 -10.908 1.00 0.00 H new ATOM 0 HE ARG A 47 13.552 -13.263 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.828 -11.736 -13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.207 -12.385 -14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.145 -14.013 -15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.728 -13.639 -15.819 1.00 0.00 H new ATOM 687 N MET A 48 13.457 -9.157 -8.894 1.00 0.00 N ATOM 688 CA MET A 48 14.609 -8.408 -8.322 1.00 0.00 C ATOM 689 C MET A 48 14.572 -8.580 -6.778 1.00 0.00 C ATOM 690 O MET A 48 15.621 -8.594 -6.121 1.00 0.00 O ATOM 691 CB MET A 48 14.594 -6.911 -8.744 1.00 0.00 C ATOM 692 CG MET A 48 15.616 -6.509 -9.824 1.00 0.00 C ATOM 693 SD MET A 48 16.542 -5.052 -9.290 1.00 0.00 S ATOM 694 CE MET A 48 15.208 -3.868 -9.014 1.00 0.00 C ATOM 0 H MET A 48 12.908 -8.618 -9.563 1.00 0.00 H new ATOM 0 HA MET A 48 15.543 -8.811 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.596 -6.665 -9.106 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.771 -6.301 -7.858 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.301 -7.336 -10.013 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.102 -6.299 -10.762 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.586 -2.855 -9.154 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.402 -4.056 -9.723 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.829 -3.977 -7.998 1.00 0.00 H new ATOM 704 N LEU A 49 13.356 -8.709 -6.216 1.00 0.00 N ATOM 705 CA LEU A 49 13.149 -8.930 -4.759 1.00 0.00 C ATOM 706 C LEU A 49 14.100 -10.070 -4.306 1.00 0.00 C ATOM 707 O LEU A 49 15.166 -9.819 -3.730 1.00 0.00 O ATOM 708 CB LEU A 49 11.657 -9.263 -4.454 1.00 0.00 C ATOM 709 CG LEU A 49 10.649 -8.078 -4.431 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.265 -8.489 -3.888 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.201 -6.891 -3.616 1.00 0.00 C ATOM 0 H LEU A 49 12.488 -8.664 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 49 13.382 -8.023 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.314 -9.983 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.614 -9.760 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 49 10.519 -7.769 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.601 -7.625 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.845 -9.273 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.370 -8.860 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.474 -6.079 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.386 -7.209 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.133 -6.545 -4.063 1.00 0.00 H new ATOM 723 N GLY A 50 13.684 -11.330 -4.546 1.00 0.00 N ATOM 724 CA GLY A 50 14.475 -12.524 -4.154 1.00 0.00 C ATOM 725 C GLY A 50 13.630 -13.812 -4.334 1.00 0.00 C ATOM 726 O GLY A 50 13.582 -14.664 -3.437 1.00 0.00 O ATOM 0 H GLY A 50 12.803 -11.552 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.378 -12.586 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.794 -12.432 -3.116 1.00 0.00 H new ATOM 730 N GLN A 51 12.971 -13.936 -5.501 1.00 0.00 N ATOM 731 CA GLN A 51 12.205 -15.151 -5.886 1.00 0.00 C ATOM 732 C GLN A 51 12.177 -15.239 -7.436 1.00 0.00 C ATOM 733 O GLN A 51 12.786 -14.410 -8.125 1.00 0.00 O ATOM 734 CB GLN A 51 10.780 -15.108 -5.264 1.00 0.00 C ATOM 735 CG GLN A 51 10.223 -16.453 -4.736 1.00 0.00 C ATOM 736 CD GLN A 51 10.658 -16.803 -3.301 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.372 -16.074 -2.352 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.352 -17.915 -3.112 1.00 0.00 N ATOM 0 H GLN A 51 12.950 -13.201 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 51 12.683 -16.051 -5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.787 -14.393 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.090 -14.723 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.134 -16.422 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.543 -17.252 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.584 -18.513 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.655 -18.174 -2.173 1.00 0.00 H new ATOM 747 N ASN A 52 11.463 -16.248 -7.970 1.00 0.00 N ATOM 748 CA ASN A 52 11.249 -16.398 -9.434 1.00 0.00 C ATOM 749 C ASN A 52 9.759 -16.801 -9.743 1.00 0.00 C ATOM 750 O ASN A 52 9.477 -18.003 -9.789 1.00 0.00 O ATOM 751 CB ASN A 52 12.268 -17.433 -9.985 1.00 0.00 C ATOM 752 CG ASN A 52 12.809 -17.123 -11.397 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.107 -16.568 -12.241 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.054 -17.477 -11.682 1.00 0.00 N ATOM 0 H ASN A 52 11.020 -16.978 -7.412 1.00 0.00 H new ATOM 0 HA ASN A 52 11.419 -15.446 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.109 -17.496 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.795 -18.415 -10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.438 -17.290 -12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.628 -17.937 -10.975 1.00 0.00 H new ATOM 761 N PRO A 53 8.791 -15.852 -9.961 1.00 0.00 N ATOM 762 CA PRO A 53 7.405 -16.190 -10.371 1.00 0.00 C ATOM 763 C PRO A 53 7.378 -17.096 -11.637 1.00 0.00 C ATOM 764 O PRO A 53 8.425 -17.454 -12.189 1.00 0.00 O ATOM 765 CB PRO A 53 6.759 -14.809 -10.594 1.00 0.00 C ATOM 766 CG PRO A 53 7.657 -13.754 -9.947 1.00 0.00 C ATOM 767 CD PRO A 53 9.032 -14.398 -9.816 1.00 0.00 C ATOM 0 HA PRO A 53 6.865 -16.779 -9.630 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.645 -14.610 -11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.761 -14.780 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.704 -12.853 -10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.270 -13.457 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.714 -14.033 -10.584 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.485 -14.167 -8.852 1.00 0.00 H new ATOM 775 N THR A 54 6.158 -17.428 -12.103 1.00 0.00 N ATOM 776 CA THR A 54 5.943 -18.276 -13.307 1.00 0.00 C ATOM 777 C THR A 54 4.956 -17.545 -14.259 1.00 0.00 C ATOM 778 O THR A 54 4.322 -16.555 -13.875 1.00 0.00 O ATOM 779 CB THR A 54 5.470 -19.716 -12.935 1.00 0.00 C ATOM 780 OG1 THR A 54 6.001 -20.672 -13.850 1.00 0.00 O ATOM 781 CG2 THR A 54 3.943 -19.911 -12.878 1.00 0.00 C ATOM 0 H THR A 54 5.292 -17.120 -11.661 1.00 0.00 H new ATOM 0 HA THR A 54 6.891 -18.416 -13.826 1.00 0.00 H new ATOM 0 HB THR A 54 5.849 -19.867 -11.924 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.695 -21.569 -13.600 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.718 -20.944 -12.612 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.519 -19.242 -12.129 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.511 -19.685 -13.853 1.00 0.00 H new ATOM 789 N LYS A 55 4.863 -18.031 -15.511 1.00 0.00 N ATOM 790 CA LYS A 55 4.052 -17.385 -16.578 1.00 0.00 C ATOM 791 C LYS A 55 2.581 -17.311 -16.087 1.00 0.00 C ATOM 792 O LYS A 55 2.004 -16.222 -15.982 1.00 0.00 O ATOM 793 CB LYS A 55 4.199 -18.165 -17.919 1.00 0.00 C ATOM 794 CG LYS A 55 5.500 -17.941 -18.728 1.00 0.00 C ATOM 795 CD LYS A 55 6.758 -18.632 -18.154 1.00 0.00 C ATOM 796 CE LYS A 55 7.682 -17.711 -17.332 1.00 0.00 C ATOM 797 NZ LYS A 55 8.981 -18.331 -17.002 1.00 0.00 N ATOM 0 H LYS A 55 5.342 -18.878 -15.817 1.00 0.00 H new ATOM 0 HA LYS A 55 4.404 -16.372 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.115 -19.230 -17.702 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.355 -17.903 -18.557 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.342 -18.297 -19.746 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.690 -16.870 -18.791 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.443 -19.464 -17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.331 -19.056 -18.979 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.858 -16.792 -17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.176 -17.431 -16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.555 -17.662 -16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.822 -19.194 -16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.483 -18.574 -17.880 1.00 0.00 H new ATOM 811 N GLU A 56 1.981 -18.486 -15.821 1.00 0.00 N ATOM 812 CA GLU A 56 0.546 -18.602 -15.450 1.00 0.00 C ATOM 813 C GLU A 56 0.324 -17.866 -14.100 1.00 0.00 C ATOM 814 O GLU A 56 -0.727 -17.252 -13.881 1.00 0.00 O ATOM 815 CB GLU A 56 0.115 -20.097 -15.421 1.00 0.00 C ATOM 816 CG GLU A 56 -0.182 -20.756 -16.789 1.00 0.00 C ATOM 817 CD GLU A 56 -1.396 -21.691 -16.783 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.267 -22.847 -16.323 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.484 -21.273 -17.237 1.00 0.00 O ATOM 0 H GLU A 56 2.469 -19.381 -15.855 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.091 -18.125 -16.195 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.902 -20.670 -14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.777 -20.183 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.344 -19.973 -17.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.695 -21.319 -17.107 1.00 0.00 H new ATOM 826 N GLU A 57 1.318 -17.962 -13.197 1.00 0.00 N ATOM 827 CA GLU A 57 1.216 -17.410 -11.819 1.00 0.00 C ATOM 828 C GLU A 57 1.027 -15.871 -11.902 1.00 0.00 C ATOM 829 O GLU A 57 0.339 -15.273 -11.065 1.00 0.00 O ATOM 830 CB GLU A 57 2.444 -17.816 -10.953 1.00 0.00 C ATOM 831 CG GLU A 57 2.446 -19.232 -10.324 1.00 0.00 C ATOM 832 CD GLU A 57 1.316 -20.141 -10.818 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.469 -20.769 -11.888 1.00 0.00 O ATOM 834 OE2 GLU A 57 0.271 -20.231 -10.136 1.00 0.00 O ATOM 0 H GLU A 57 2.209 -18.418 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 57 0.346 -17.835 -11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.336 -17.723 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.539 -17.090 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.402 -19.711 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.373 -19.136 -9.241 1.00 0.00 H new ATOM 841 N LEU A 58 1.669 -15.240 -12.903 1.00 0.00 N ATOM 842 CA LEU A 58 1.681 -13.761 -13.055 1.00 0.00 C ATOM 843 C LEU A 58 0.274 -13.293 -13.519 1.00 0.00 C ATOM 844 O LEU A 58 -0.191 -12.215 -13.131 1.00 0.00 O ATOM 845 CB LEU A 58 2.828 -13.370 -14.032 1.00 0.00 C ATOM 846 CG LEU A 58 4.161 -12.892 -13.388 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.366 -12.993 -14.347 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.025 -11.446 -12.871 1.00 0.00 C ATOM 0 H LEU A 58 2.192 -15.731 -13.628 1.00 0.00 H new ATOM 0 HA LEU A 58 1.883 -13.254 -12.111 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.045 -14.231 -14.664 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.463 -12.578 -14.686 1.00 0.00 H new ATOM 0 HG LEU A 58 4.357 -13.566 -12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.265 -12.645 -13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.501 -14.030 -14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.184 -12.375 -15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.967 -11.129 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.777 -10.785 -13.701 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.235 -11.400 -12.122 1.00 0.00 H new ATOM 860 N ASP A 59 -0.378 -14.115 -14.362 1.00 0.00 N ATOM 861 CA ASP A 59 -1.695 -13.783 -14.969 1.00 0.00 C ATOM 862 C ASP A 59 -2.766 -13.744 -13.845 1.00 0.00 C ATOM 863 O ASP A 59 -3.717 -12.956 -13.904 1.00 0.00 O ATOM 864 CB ASP A 59 -2.064 -14.770 -16.114 1.00 0.00 C ATOM 865 CG ASP A 59 -3.418 -14.530 -16.804 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.748 -13.359 -17.098 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.157 -15.510 -17.046 1.00 0.00 O ATOM 0 H ASP A 59 -0.015 -15.025 -14.645 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.646 -12.800 -15.437 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.281 -14.726 -16.871 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.060 -15.782 -15.709 1.00 0.00 H new ATOM 872 N ALA A 60 -2.587 -14.598 -12.819 1.00 0.00 N ATOM 873 CA ALA A 60 -3.483 -14.641 -11.634 1.00 0.00 C ATOM 874 C ALA A 60 -3.174 -13.445 -10.691 1.00 0.00 C ATOM 875 O ALA A 60 -4.077 -12.904 -10.043 1.00 0.00 O ATOM 876 CB ALA A 60 -3.311 -15.996 -10.920 1.00 0.00 C ATOM 0 H ALA A 60 -1.825 -15.275 -12.782 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.524 -14.549 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.966 -16.034 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.570 -16.804 -11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.275 -16.110 -10.600 1.00 0.00 H new ATOM 882 N ILE A 61 -1.891 -13.043 -10.644 1.00 0.00 N ATOM 883 CA ILE A 61 -1.403 -11.977 -9.729 1.00 0.00 C ATOM 884 C ILE A 61 -2.146 -10.676 -10.143 1.00 0.00 C ATOM 885 O ILE A 61 -2.564 -9.891 -9.282 1.00 0.00 O ATOM 886 CB ILE A 61 0.168 -11.872 -9.730 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.831 -12.710 -8.591 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.668 -10.403 -9.667 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.842 -11.961 -7.708 1.00 0.00 C ATOM 0 H ILE A 61 -1.160 -13.442 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.630 -12.198 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 61 0.479 -12.296 -10.684 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.042 -13.106 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.335 -13.565 -9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.758 -10.389 -9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.296 -9.854 -10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.302 -9.933 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.238 -12.640 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.659 -11.589 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.347 -11.123 -7.219 1.00 0.00 H new ATOM 901 N ILE A 62 -2.299 -10.466 -11.464 1.00 0.00 N ATOM 902 CA ILE A 62 -2.902 -9.232 -12.037 1.00 0.00 C ATOM 903 C ILE A 62 -4.437 -9.366 -11.838 1.00 0.00 C ATOM 904 O ILE A 62 -5.111 -8.389 -11.483 1.00 0.00 O ATOM 905 CB ILE A 62 -2.445 -8.989 -13.524 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.005 -8.392 -13.623 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.443 -8.103 -14.318 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.655 -7.702 -14.952 1.00 0.00 C ATOM 0 H ILE A 62 -2.010 -11.143 -12.170 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.556 -8.333 -11.527 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.431 -9.978 -13.982 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.875 -7.671 -12.816 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.287 -9.194 -13.452 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.079 -7.968 -15.336 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.419 -8.587 -14.343 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.533 -7.131 -13.833 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.367 -7.326 -14.908 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.743 -8.419 -15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.340 -6.872 -15.122 1.00 0.00 H new ATOM 920 N GLU A 63 -4.975 -10.573 -12.094 1.00 0.00 N ATOM 921 CA GLU A 63 -6.428 -10.860 -11.951 1.00 0.00 C ATOM 922 C GLU A 63 -6.894 -10.337 -10.564 1.00 0.00 C ATOM 923 O GLU A 63 -8.025 -9.858 -10.418 1.00 0.00 O ATOM 924 CB GLU A 63 -6.712 -12.374 -12.171 1.00 0.00 C ATOM 925 CG GLU A 63 -8.171 -12.760 -12.514 1.00 0.00 C ATOM 926 CD GLU A 63 -8.337 -14.198 -13.017 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.251 -14.423 -14.245 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.557 -15.108 -12.188 1.00 0.00 O ATOM 0 H GLU A 63 -4.426 -11.375 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.005 -10.342 -12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.067 -12.729 -12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.420 -12.911 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.790 -12.623 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.547 -12.075 -13.274 1.00 0.00 H new ATOM 935 N GLU A 64 -5.994 -10.412 -9.566 1.00 0.00 N ATOM 936 CA GLU A 64 -6.284 -9.969 -8.177 1.00 0.00 C ATOM 937 C GLU A 64 -6.528 -8.435 -8.193 1.00 0.00 C ATOM 938 O GLU A 64 -7.598 -7.961 -7.796 1.00 0.00 O ATOM 939 CB GLU A 64 -5.139 -10.409 -7.221 1.00 0.00 C ATOM 940 CG GLU A 64 -5.398 -11.674 -6.368 1.00 0.00 C ATOM 941 CD GLU A 64 -6.136 -11.404 -5.053 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.386 -11.363 -5.057 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.468 -11.233 -4.008 1.00 0.00 O ATOM 0 H GLU A 64 -5.050 -10.778 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.187 -10.443 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.243 -10.578 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.921 -9.581 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.978 -12.384 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.443 -12.150 -6.145 1.00 0.00 H new ATOM 950 N VAL A 65 -5.514 -7.676 -8.649 1.00 0.00 N ATOM 951 CA VAL A 65 -5.560 -6.189 -8.689 1.00 0.00 C ATOM 952 C VAL A 65 -5.778 -5.770 -10.169 1.00 0.00 C ATOM 953 O VAL A 65 -4.878 -5.202 -10.801 1.00 0.00 O ATOM 954 CB VAL A 65 -4.290 -5.545 -8.028 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.967 -6.049 -8.654 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.275 -3.996 -8.057 1.00 0.00 C ATOM 0 H VAL A 65 -4.640 -8.067 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.389 -5.811 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.358 -5.870 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.124 -5.570 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.894 -7.130 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.950 -5.803 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.365 -3.632 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.307 -3.651 -9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.143 -3.614 -7.520 1.00 0.00 H new ATOM 966 N ASP A 66 -6.978 -6.056 -10.708 1.00 0.00 N ATOM 967 CA ASP A 66 -7.337 -5.718 -12.112 1.00 0.00 C ATOM 968 C ASP A 66 -8.858 -5.958 -12.305 1.00 0.00 C ATOM 969 O ASP A 66 -9.288 -6.633 -13.251 1.00 0.00 O ATOM 970 CB ASP A 66 -6.464 -6.506 -13.131 1.00 0.00 C ATOM 971 CG ASP A 66 -6.490 -5.994 -14.582 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.019 -4.863 -14.834 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.989 -6.720 -15.470 1.00 0.00 O ATOM 0 H ASP A 66 -7.725 -6.523 -10.194 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.126 -4.666 -12.307 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.432 -6.493 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.788 -7.547 -13.128 1.00 0.00 H new ATOM 978 N GLU A 67 -9.670 -5.368 -11.410 1.00 0.00 N ATOM 979 CA GLU A 67 -11.148 -5.519 -11.394 1.00 0.00 C ATOM 980 C GLU A 67 -11.792 -4.451 -12.320 1.00 0.00 C ATOM 981 O GLU A 67 -12.957 -4.070 -12.114 1.00 0.00 O ATOM 982 CB GLU A 67 -11.674 -5.445 -9.928 1.00 0.00 C ATOM 983 CG GLU A 67 -13.010 -6.169 -9.638 1.00 0.00 C ATOM 984 CD GLU A 67 -12.887 -7.692 -9.525 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.957 -8.384 -10.565 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.720 -8.204 -8.396 1.00 0.00 O ATOM 0 H GLU A 67 -9.321 -4.764 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.432 -6.497 -11.783 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.911 -5.860 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.789 -4.395 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.427 -5.779 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.719 -5.931 -10.431 1.00 0.00 H new ATOM 993 N ASP A 68 -11.049 -3.969 -13.333 1.00 0.00 N ATOM 994 CA ASP A 68 -11.522 -2.912 -14.267 1.00 0.00 C ATOM 995 C ASP A 68 -11.825 -3.563 -15.643 1.00 0.00 C ATOM 996 O ASP A 68 -12.812 -3.222 -16.307 1.00 0.00 O ATOM 997 CB ASP A 68 -10.503 -1.739 -14.370 1.00 0.00 C ATOM 998 CG ASP A 68 -9.443 -1.860 -15.478 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.509 -2.680 -15.337 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.542 -1.132 -16.491 1.00 0.00 O ATOM 0 H ASP A 68 -10.104 -4.296 -13.533 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.440 -2.467 -13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.059 -0.814 -14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.990 -1.645 -13.413 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.978 -4.530 -16.052 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.158 -5.265 -17.330 1.00 0.00 C ATOM 1007 C GLY A 69 -10.143 -4.758 -18.387 1.00 0.00 C ATOM 1008 O GLY A 69 -10.330 -3.688 -18.981 1.00 0.00 O ATOM 0 H GLY A 69 -10.160 -4.823 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.020 -6.334 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.175 -5.128 -17.697 1.00 0.00 H new ATOM 1012 N SER A 70 -9.072 -5.545 -18.609 1.00 0.00 N ATOM 1013 CA SER A 70 -7.985 -5.196 -19.562 1.00 0.00 C ATOM 1014 C SER A 70 -6.916 -6.321 -19.575 1.00 0.00 C ATOM 1015 O SER A 70 -6.929 -7.206 -20.439 1.00 0.00 O ATOM 1016 CB SER A 70 -7.389 -3.822 -19.180 1.00 0.00 C ATOM 1017 OG SER A 70 -7.632 -3.510 -17.813 1.00 0.00 O ATOM 0 H SER A 70 -8.931 -6.438 -18.138 1.00 0.00 H new ATOM 0 HA SER A 70 -8.380 -5.115 -20.575 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.315 -3.825 -19.368 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.822 -3.048 -19.814 1.00 0.00 H new ATOM 0 HG SER A 70 -7.242 -2.636 -17.603 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.976 -6.266 -18.609 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.879 -7.260 -18.500 1.00 0.00 C ATOM 1025 C GLY A 71 -3.530 -6.547 -18.223 1.00 0.00 C ATOM 1026 O GLY A 71 -2.653 -7.096 -17.543 1.00 0.00 O ATOM 0 H GLY A 71 -5.952 -5.543 -17.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.097 -7.965 -17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.810 -7.838 -19.422 1.00 0.00 H new ATOM 1030 N THR A 72 -3.385 -5.321 -18.761 1.00 0.00 N ATOM 1031 CA THR A 72 -2.178 -4.476 -18.563 1.00 0.00 C ATOM 1032 C THR A 72 -2.396 -3.578 -17.314 1.00 0.00 C ATOM 1033 O THR A 72 -3.403 -3.715 -16.607 1.00 0.00 O ATOM 1034 CB THR A 72 -1.819 -3.655 -19.841 1.00 0.00 C ATOM 1035 OG1 THR A 72 -2.921 -2.846 -20.246 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.373 -4.492 -21.055 1.00 0.00 C ATOM 0 H THR A 72 -4.097 -4.883 -19.346 1.00 0.00 H new ATOM 0 HA THR A 72 -1.314 -5.117 -18.386 1.00 0.00 H new ATOM 0 HB THR A 72 -0.963 -3.053 -19.537 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.786 -1.928 -19.931 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.147 -3.829 -21.890 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.483 -5.065 -20.795 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.173 -5.175 -21.340 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.459 -2.643 -17.073 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.519 -1.705 -15.919 1.00 0.00 C ATOM 1046 C ILE A 73 -1.058 -0.322 -16.456 1.00 0.00 C ATOM 1047 O ILE A 73 0.092 0.083 -16.242 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.701 -2.238 -14.682 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.326 -3.523 -14.051 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.500 -1.154 -13.589 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.975 -3.344 -12.669 1.00 0.00 C ATOM 0 H ILE A 73 -0.639 -2.510 -17.665 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.530 -1.613 -15.522 1.00 0.00 H new ATOM 0 HB ILE A 73 0.278 -2.503 -15.082 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.079 -3.912 -14.737 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.547 -4.281 -13.970 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.069 -1.574 -12.760 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.044 -0.309 -14.011 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.472 -0.817 -13.228 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.375 -4.299 -12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.227 -2.990 -11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.783 -2.616 -12.738 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.965 0.390 -17.151 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.676 1.734 -17.720 1.00 0.00 C ATOM 1065 C ASP A 74 -1.275 2.695 -16.567 1.00 0.00 C ATOM 1066 O ASP A 74 -1.444 2.377 -15.381 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.874 2.269 -18.557 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.802 1.205 -19.167 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.296 0.179 -19.671 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.038 1.397 -19.149 1.00 0.00 O ATOM 0 H ASP A 74 -2.912 0.060 -17.337 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.839 1.664 -18.415 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.472 2.922 -17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.480 2.885 -19.366 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.756 3.883 -16.931 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.314 4.909 -15.947 1.00 0.00 C ATOM 1077 C PHE A 75 -1.540 5.354 -15.104 1.00 0.00 C ATOM 1078 O PHE A 75 -1.405 5.690 -13.921 1.00 0.00 O ATOM 1079 CB PHE A 75 0.361 6.108 -16.676 1.00 0.00 C ATOM 1080 CG PHE A 75 1.170 7.060 -15.773 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.348 6.769 -14.415 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.745 8.220 -16.305 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.081 7.631 -13.602 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.480 9.078 -15.490 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.642 8.786 -14.139 1.00 0.00 C ATOM 0 H PHE A 75 -0.629 4.164 -17.903 1.00 0.00 H new ATOM 0 HA PHE A 75 0.434 4.488 -15.275 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.024 5.716 -17.448 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.412 6.685 -17.183 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.915 5.873 -13.996 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.618 8.451 -17.352 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.214 7.403 -12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.924 9.970 -15.907 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.204 9.457 -13.506 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.726 5.375 -15.739 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.977 5.878 -15.112 1.00 0.00 C ATOM 1097 C GLU A 76 -4.273 5.065 -13.821 1.00 0.00 C ATOM 1098 O GLU A 76 -4.394 5.632 -12.728 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.163 5.846 -16.121 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.083 4.599 -16.111 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.180 4.617 -17.181 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.878 4.335 -18.362 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.348 4.910 -16.844 1.00 0.00 O ATOM 0 H GLU A 76 -2.851 5.047 -16.697 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.846 6.922 -14.829 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.784 6.723 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.752 5.952 -17.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.470 3.708 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.550 4.514 -15.130 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.415 3.736 -13.975 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.755 2.808 -12.863 1.00 0.00 C ATOM 1112 C GLU A 77 -3.563 2.700 -11.873 1.00 0.00 C ATOM 1113 O GLU A 77 -3.762 2.469 -10.672 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.181 1.408 -13.397 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.190 0.245 -13.152 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.423 -0.948 -14.081 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.738 -0.736 -15.273 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.298 -2.106 -13.623 1.00 0.00 O ATOM 0 H GLU A 77 -4.298 3.267 -14.873 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.611 3.216 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.135 1.145 -12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.352 1.490 -14.470 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.171 0.609 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.276 -0.086 -12.117 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.330 2.857 -12.389 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.088 2.772 -11.574 1.00 0.00 C ATOM 1127 C PHE A 78 -1.191 3.778 -10.396 1.00 0.00 C ATOM 1128 O PHE A 78 -0.661 3.530 -9.306 1.00 0.00 O ATOM 1129 CB PHE A 78 0.168 3.021 -12.464 1.00 0.00 C ATOM 1130 CG PHE A 78 1.523 2.821 -11.754 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.589 2.091 -10.561 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.688 3.405 -12.264 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.808 1.912 -9.913 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.906 3.227 -11.613 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.965 2.482 -10.437 1.00 0.00 C ATOM 0 H PHE A 78 -2.159 3.046 -13.377 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.977 1.771 -11.158 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.124 2.352 -13.323 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.124 4.039 -12.850 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.690 1.665 -10.141 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.642 3.996 -13.167 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.856 1.331 -9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.805 3.666 -12.020 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.910 2.347 -9.931 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.852 4.924 -10.644 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.959 6.030 -9.655 1.00 0.00 C ATOM 1147 C LEU A 79 -3.010 5.629 -8.583 1.00 0.00 C ATOM 1148 O LEU A 79 -2.905 6.031 -7.418 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.334 7.369 -10.359 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.254 8.035 -11.260 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.554 9.532 -11.476 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.173 7.861 -10.701 1.00 0.00 C ATOM 0 H LEU A 79 -2.326 5.116 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.997 6.192 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.219 7.191 -10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.618 8.086 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.298 7.520 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.782 9.970 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.525 9.643 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.567 10.043 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.887 8.344 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.235 8.316 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.408 6.799 -10.627 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.028 4.852 -8.998 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.121 4.388 -8.100 1.00 0.00 C ATOM 1166 C VAL A 80 -4.485 3.520 -6.980 1.00 0.00 C ATOM 1167 O VAL A 80 -4.990 3.485 -5.851 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.260 3.654 -8.894 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.518 3.392 -8.031 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.705 4.384 -10.186 1.00 0.00 C ATOM 0 H VAL A 80 -4.123 4.525 -9.960 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.620 5.240 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.799 2.707 -9.176 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.272 2.883 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.251 2.768 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.919 4.341 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.494 3.812 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.080 5.376 -9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.855 4.479 -10.861 1.00 0.00 H new ATOM 1180 N MET A 81 -3.398 2.800 -7.316 1.00 0.00 N ATOM 1181 CA MET A 81 -2.679 1.911 -6.364 1.00 0.00 C ATOM 1182 C MET A 81 -2.231 2.762 -5.143 1.00 0.00 C ATOM 1183 O MET A 81 -2.750 2.596 -4.034 1.00 0.00 O ATOM 1184 CB MET A 81 -1.481 1.195 -7.050 1.00 0.00 C ATOM 1185 CG MET A 81 -1.833 -0.041 -7.900 1.00 0.00 C ATOM 1186 SD MET A 81 -0.391 -1.118 -8.054 1.00 0.00 S ATOM 1187 CE MET A 81 -1.152 -2.646 -8.639 1.00 0.00 C ATOM 0 H MET A 81 -2.989 2.813 -8.250 1.00 0.00 H new ATOM 0 HA MET A 81 -3.345 1.119 -6.022 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.968 1.916 -7.687 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.774 0.892 -6.278 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.657 -0.586 -7.439 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.171 0.271 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.563 -3.055 -9.460 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.189 -3.369 -7.824 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.164 -2.439 -8.986 1.00 0.00 H new ATOM 1197 N MET A 82 -1.237 3.643 -5.362 1.00 0.00 N ATOM 1198 CA MET A 82 -0.612 4.446 -4.277 1.00 0.00 C ATOM 1199 C MET A 82 -1.714 5.179 -3.462 1.00 0.00 C ATOM 1200 O MET A 82 -1.645 5.241 -2.228 1.00 0.00 O ATOM 1201 CB MET A 82 0.425 5.438 -4.879 1.00 0.00 C ATOM 1202 CG MET A 82 -0.146 6.787 -5.356 1.00 0.00 C ATOM 1203 SD MET A 82 1.152 8.040 -5.467 1.00 0.00 S ATOM 1204 CE MET A 82 1.498 8.365 -3.726 1.00 0.00 C ATOM 0 H MET A 82 -0.842 3.822 -6.285 1.00 0.00 H new ATOM 0 HA MET A 82 -0.077 3.788 -3.593 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.192 5.633 -4.130 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.918 4.954 -5.722 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.619 6.661 -6.330 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.921 7.122 -4.666 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.961 9.346 -3.624 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.567 8.343 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.175 7.603 -3.341 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.705 5.752 -4.168 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.767 6.594 -3.555 1.00 0.00 C ATOM 1216 C VAL A 83 -4.501 5.731 -2.492 1.00 0.00 C ATOM 1217 O VAL A 83 -4.808 6.214 -1.394 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.725 7.211 -4.637 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.018 7.837 -4.058 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.026 8.278 -5.515 1.00 0.00 C ATOM 0 H VAL A 83 -2.799 5.649 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.329 7.461 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.003 6.350 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.623 8.240 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.586 7.073 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.756 8.640 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.735 8.670 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.668 9.091 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.182 7.825 -6.036 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.781 4.461 -2.836 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.579 3.538 -1.984 1.00 0.00 C ATOM 1232 C ARG A 84 -4.870 3.407 -0.608 1.00 0.00 C ATOM 1233 O ARG A 84 -5.529 3.239 0.427 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.738 2.155 -2.677 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.185 1.804 -3.101 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.250 0.985 -4.403 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.579 0.350 -4.589 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.967 -0.807 -4.017 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.435 -1.218 -2.873 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.935 -1.541 -4.548 1.00 0.00 N ATOM 0 H ARG A 84 -4.465 4.039 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.583 3.936 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.100 2.131 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.375 1.381 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.666 1.242 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.753 2.725 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.035 1.634 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.478 0.215 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.248 0.825 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.720 -0.655 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.741 -2.097 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.399 -1.233 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.216 -2.414 -4.102 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.525 3.455 -0.615 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.695 3.236 0.600 1.00 0.00 C ATOM 1256 C GLN A 85 -2.619 4.560 1.409 1.00 0.00 C ATOM 1257 O GLN A 85 -2.447 4.536 2.635 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.289 2.704 0.197 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.253 1.302 -0.459 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.295 0.306 0.217 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.639 -0.203 -0.403 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.503 0.002 1.490 1.00 0.00 N ATOM 0 H GLN A 85 -2.978 3.645 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.149 2.479 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.837 3.417 -0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.662 2.682 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.259 0.883 -0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.965 1.411 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.279 0.428 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.113 -0.658 1.964 1.00 0.00 H new ATOM 1271 N MET A 86 -2.718 5.705 0.711 1.00 0.00 N ATOM 1272 CA MET A 86 -2.565 7.056 1.312 1.00 0.00 C ATOM 1273 C MET A 86 -3.460 7.134 2.579 1.00 0.00 C ATOM 1274 O MET A 86 -3.104 7.795 3.561 1.00 0.00 O ATOM 1275 CB MET A 86 -2.908 8.165 0.270 1.00 0.00 C ATOM 1276 CG MET A 86 -4.331 8.743 0.391 1.00 0.00 C ATOM 1277 SD MET A 86 -4.483 10.279 -0.539 1.00 0.00 S ATOM 1278 CE MET A 86 -3.399 9.956 -1.945 1.00 0.00 C ATOM 0 H MET A 86 -2.907 5.727 -0.291 1.00 0.00 H new ATOM 0 HA MET A 86 -1.530 7.226 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.190 8.978 0.375 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.781 7.755 -0.732 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.055 8.017 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.566 8.924 1.440 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.580 10.699 -2.722 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.359 10.013 -1.623 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.603 8.961 -2.340 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.634 6.479 2.520 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.626 6.454 3.627 1.00 0.00 C ATOM 1290 C LYS A 87 -4.879 6.219 4.970 1.00 0.00 C ATOM 1291 O LYS A 87 -4.538 5.082 5.315 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.694 5.341 3.422 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.728 5.606 2.304 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.141 7.083 2.130 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.456 7.302 1.356 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.605 6.326 0.262 1.00 0.00 N ATOM 0 H LYS A 87 -4.929 5.947 1.701 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.146 7.412 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.180 4.405 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.229 5.198 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.319 5.246 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.622 5.017 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.237 7.537 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.340 7.611 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.301 7.216 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.476 8.313 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.374 6.628 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.717 6.269 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.830 5.391 0.659 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.639 7.314 5.716 1.00 0.00 N ATOM 1311 CA GLU A 88 -3.940 7.268 7.028 1.00 0.00 C ATOM 1312 C GLU A 88 -5.008 7.345 8.153 1.00 0.00 C ATOM 1313 O GLU A 88 -4.840 6.748 9.223 1.00 0.00 O ATOM 1314 CB GLU A 88 -2.868 8.393 7.108 1.00 0.00 C ATOM 1315 CG GLU A 88 -3.391 9.831 7.336 1.00 0.00 C ATOM 1316 CD GLU A 88 -2.355 10.790 7.931 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -1.144 10.610 7.670 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -2.747 11.729 8.658 1.00 0.00 O ATOM 0 H GLU A 88 -4.920 8.253 5.434 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.394 6.333 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.178 8.149 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.293 8.382 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.738 10.234 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.255 9.790 7.999 1.00 0.00 H new ATOM 1325 N ASP A 89 -6.087 8.110 7.904 1.00 0.00 N ATOM 1326 CA ASP A 89 -7.156 8.361 8.907 1.00 0.00 C ATOM 1327 C ASP A 89 -8.347 7.408 8.614 1.00 0.00 C ATOM 1328 O ASP A 89 -9.399 7.841 8.129 1.00 0.00 O ATOM 1329 CB ASP A 89 -7.579 9.858 8.934 1.00 0.00 C ATOM 1330 CG ASP A 89 -8.531 10.272 10.069 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -8.148 10.151 11.254 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -9.666 10.712 9.779 1.00 0.00 O ATOM 0 H ASP A 89 -6.248 8.572 7.009 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.778 8.148 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.678 10.468 9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.055 10.097 7.983 1.00 0.00 H new ATOM 1337 N ALA A 90 -8.148 6.106 8.889 1.00 0.00 N ATOM 1338 CA ALA A 90 -9.147 5.048 8.580 1.00 0.00 C ATOM 1339 C ALA A 90 -9.090 3.976 9.686 1.00 0.00 C ATOM 1340 O ALA A 90 -9.611 2.841 9.454 1.00 0.00 O ATOM 1341 CB ALA A 90 -8.898 4.451 7.180 1.00 0.00 C ATOM 1342 OXT ALA A 90 -8.529 4.238 10.795 1.00 0.00 O ATOM 0 H ALA A 90 -7.298 5.752 9.329 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.149 5.476 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.641 3.680 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.977 5.238 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.900 4.013 7.143 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 5.285 -2.266 -21.819 1.00 0.00 CA HETATM 1350 CA CA A 92 -5.794 -2.868 -15.863 1.00 0.00 CA