USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 66 THR OG1 : rot 180:sc= -0.436 USER MOD Set 1.2: A 69 GLN : amide:sc= -3.68! C(o=-4.1!,f=-25!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -107:sc= -2.42 (180deg=-1.6) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -3.66 F(o=-15!,f=-6.1) USER MOD Set 3.1: A 2 LYS NZ :NH3+ 143:sc= -0.0561 (180deg=-0.549) USER MOD Set 3.2: A 5 THR OG1 : rot -140:sc= -0.0248 USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0229 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.147) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 167:sc= -0.76 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 80:sc= -0.335 USER MOD Single : A 29 SER OG : rot -100:sc= -0.188 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 16:sc= -0.725 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.195 (180deg=-1.41!) USER MOD Single : A 55 ASN : amide:sc= -0.705 K(o=-0.7,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.0338 (180deg=-0.451) USER MOD Single : A 62 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.39) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -3.03! C(o=-11!,f=-3!) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -0.113 (180deg=-0.648) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -0.0419 (180deg=-0.392) USER MOD Single : A 101 PNS O33 : rot -165:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.363 -7.942 1.593 1.00 1.00 N ATOM 2 CA ALA A 1 -9.496 -7.748 0.398 1.00 1.00 C ATOM 3 C ALA A 1 -9.132 -9.112 -0.180 1.00 1.00 C ATOM 4 O ALA A 1 -8.869 -10.061 0.558 1.00 1.00 O ATOM 5 CB ALA A 1 -8.227 -6.992 0.807 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.138 -7.219 2.306 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.361 -7.856 1.315 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.196 -8.887 1.994 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.026 -7.167 -0.357 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.591 -6.849 -0.067 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.499 -6.021 1.220 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.687 -7.568 1.559 1.00 1.00 H new ATOM 13 N LYS A 2 -9.121 -9.201 -1.505 1.00 1.00 N ATOM 14 CA LYS A 2 -8.787 -10.446 -2.182 1.00 1.00 C ATOM 15 C LYS A 2 -7.272 -10.606 -2.257 1.00 1.00 C ATOM 16 O LYS A 2 -6.526 -9.634 -2.149 1.00 1.00 O ATOM 17 CB LYS A 2 -9.378 -10.445 -3.609 1.00 1.00 C ATOM 18 CG LYS A 2 -9.410 -9.002 -4.167 1.00 1.00 C ATOM 19 CD LYS A 2 -10.763 -8.347 -3.858 1.00 1.00 C ATOM 20 CE LYS A 2 -10.727 -6.879 -4.269 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.384 -6.784 -5.714 1.00 1.00 N ATOM 0 H LYS A 2 -9.340 -8.426 -2.131 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.210 -11.278 -1.619 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.779 -11.082 -4.260 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.386 -10.861 -3.595 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.604 -8.415 -3.726 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.242 -9.016 -5.244 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.560 -8.865 -4.392 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.985 -8.432 -2.794 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.694 -6.412 -4.081 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.991 -6.340 -3.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.920 -6.006 -6.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.365 -6.602 -5.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.626 -7.678 -6.188 1.00 1.00 H new ATOM 35 N LYS A 3 -6.837 -11.839 -2.447 1.00 1.00 N ATOM 36 CA LYS A 3 -5.419 -12.140 -2.544 1.00 1.00 C ATOM 37 C LYS A 3 -4.811 -11.456 -3.764 1.00 1.00 C ATOM 38 O LYS A 3 -3.592 -11.326 -3.872 1.00 1.00 O ATOM 39 CB LYS A 3 -5.219 -13.668 -2.638 1.00 1.00 C ATOM 40 CG LYS A 3 -6.413 -14.337 -3.334 1.00 1.00 C ATOM 41 CD LYS A 3 -6.641 -13.710 -4.717 1.00 1.00 C ATOM 42 CE LYS A 3 -7.410 -14.680 -5.609 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.750 -14.927 -5.014 1.00 1.00 N ATOM 0 H LYS A 3 -7.448 -12.651 -2.538 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.916 -11.765 -1.653 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.304 -13.885 -3.189 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.096 -14.085 -1.638 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.230 -15.407 -3.437 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -7.309 -14.224 -2.723 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.197 -12.778 -4.616 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.684 -13.462 -5.175 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.514 -14.267 -6.612 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -6.862 -15.617 -5.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.352 -15.418 -5.706 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.649 -15.517 -4.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.188 -14.020 -4.756 1.00 1.00 H new ATOM 57 N GLU A 4 -5.667 -11.026 -4.680 1.00 1.00 N ATOM 58 CA GLU A 4 -5.197 -10.367 -5.891 1.00 1.00 C ATOM 59 C GLU A 4 -4.747 -8.942 -5.588 1.00 1.00 C ATOM 60 O GLU A 4 -3.696 -8.495 -6.048 1.00 1.00 O ATOM 61 CB GLU A 4 -6.309 -10.350 -6.949 1.00 1.00 C ATOM 62 CG GLU A 4 -5.707 -10.100 -8.338 1.00 1.00 C ATOM 63 CD GLU A 4 -5.160 -8.679 -8.418 1.00 1.00 C ATOM 64 OE1 GLU A 4 -5.801 -7.789 -7.885 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.107 -8.503 -9.008 1.00 1.00 O ATOM 0 H GLU A 4 -6.680 -11.120 -4.610 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.345 -10.926 -6.277 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.845 -11.299 -6.941 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -7.035 -9.572 -6.713 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.910 -10.817 -8.533 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.466 -10.251 -9.106 1.00 1.00 H new ATOM 72 N THR A 5 -5.557 -8.237 -4.808 1.00 1.00 N ATOM 73 CA THR A 5 -5.251 -6.862 -4.439 1.00 1.00 C ATOM 74 C THR A 5 -3.960 -6.800 -3.636 1.00 1.00 C ATOM 75 O THR A 5 -3.125 -5.927 -3.855 1.00 1.00 O ATOM 76 CB THR A 5 -6.397 -6.269 -3.615 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.572 -6.230 -4.407 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.033 -4.853 -3.178 1.00 1.00 C ATOM 0 H THR A 5 -6.430 -8.595 -4.419 1.00 1.00 H new ATOM 0 HA THR A 5 -5.127 -6.281 -5.353 1.00 1.00 H new ATOM 0 HB THR A 5 -6.569 -6.887 -2.734 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.054 -5.394 -4.236 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.850 -4.432 -2.592 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.128 -4.881 -2.572 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.861 -4.233 -4.058 1.00 1.00 H new ATOM 86 N ILE A 6 -3.806 -7.731 -2.703 1.00 1.00 N ATOM 87 CA ILE A 6 -2.614 -7.766 -1.863 1.00 1.00 C ATOM 88 C ILE A 6 -1.370 -7.947 -2.724 1.00 1.00 C ATOM 89 O ILE A 6 -0.348 -7.296 -2.502 1.00 1.00 O ATOM 90 CB ILE A 6 -2.710 -8.923 -0.866 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.025 -8.815 -0.090 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.540 -8.860 0.123 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.196 -10.034 0.833 1.00 1.00 C ATOM 0 H ILE A 6 -4.485 -8.467 -2.509 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.544 -6.823 -1.321 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.674 -9.867 -1.410 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.034 -7.898 0.500 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.863 -8.755 -0.785 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.616 -9.687 0.829 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.599 -8.933 -0.422 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.573 -7.915 0.666 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.135 -9.947 1.380 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.208 -10.945 0.234 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.367 -10.075 1.539 1.00 1.00 H new ATOM 105 N ASP A 7 -1.459 -8.838 -3.706 1.00 1.00 N ATOM 106 CA ASP A 7 -0.331 -9.093 -4.589 1.00 1.00 C ATOM 107 C ASP A 7 0.048 -7.827 -5.350 1.00 1.00 C ATOM 108 O ASP A 7 1.227 -7.540 -5.543 1.00 1.00 O ATOM 109 CB ASP A 7 -0.681 -10.201 -5.584 1.00 1.00 C ATOM 110 CG ASP A 7 0.579 -10.678 -6.301 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.661 -10.381 -5.821 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.443 -11.337 -7.319 1.00 1.00 O ATOM 0 H ASP A 7 -2.293 -9.390 -3.908 1.00 1.00 H new ATOM 0 HA ASP A 7 0.516 -9.408 -3.980 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.150 -11.035 -5.062 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.405 -9.833 -6.311 1.00 1.00 H new ATOM 117 N LYS A 8 -0.955 -7.073 -5.787 1.00 1.00 N ATOM 118 CA LYS A 8 -0.700 -5.847 -6.534 1.00 1.00 C ATOM 119 C LYS A 8 0.030 -4.824 -5.681 1.00 1.00 C ATOM 120 O LYS A 8 1.072 -4.302 -6.074 1.00 1.00 O ATOM 121 CB LYS A 8 -2.024 -5.253 -6.988 1.00 1.00 C ATOM 122 CG LYS A 8 -2.781 -6.274 -7.888 1.00 1.00 C ATOM 123 CD LYS A 8 -2.899 -5.759 -9.330 1.00 1.00 C ATOM 124 CE LYS A 8 -3.958 -4.660 -9.402 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.193 -4.298 -10.824 1.00 1.00 N ATOM 0 H LYS A 8 -1.942 -7.286 -5.639 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.075 -6.094 -7.392 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.634 -4.996 -6.122 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.848 -4.329 -7.539 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.255 -7.229 -7.881 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.776 -6.455 -7.481 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -1.937 -5.373 -9.668 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.166 -6.578 -9.998 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.886 -5.002 -8.944 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.629 -3.785 -8.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.914 -3.550 -10.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.306 -3.955 -11.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.524 -5.135 -11.345 1.00 1.00 H new ATOM 139 N VAL A 9 -0.527 -4.542 -4.514 1.00 1.00 N ATOM 140 CA VAL A 9 0.083 -3.575 -3.615 1.00 1.00 C ATOM 141 C VAL A 9 1.453 -4.069 -3.159 1.00 1.00 C ATOM 142 O VAL A 9 2.420 -3.312 -3.143 1.00 1.00 O ATOM 143 CB VAL A 9 -0.812 -3.351 -2.392 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.188 -2.294 -1.475 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.194 -2.876 -2.843 1.00 1.00 C ATOM 0 H VAL A 9 -1.390 -4.963 -4.170 1.00 1.00 H new ATOM 0 HA VAL A 9 0.201 -2.633 -4.151 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.909 -4.291 -1.848 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.830 -2.140 -0.608 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.794 -2.633 -1.144 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.083 -1.356 -2.020 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.827 -2.718 -1.970 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.095 -1.941 -3.394 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.646 -3.630 -3.487 1.00 1.00 H new ATOM 155 N SER A 10 1.534 -5.343 -2.790 1.00 1.00 N ATOM 156 CA SER A 10 2.791 -5.916 -2.330 1.00 1.00 C ATOM 157 C SER A 10 3.858 -5.806 -3.413 1.00 1.00 C ATOM 158 O SER A 10 5.018 -5.510 -3.125 1.00 1.00 O ATOM 159 CB SER A 10 2.585 -7.386 -1.963 1.00 1.00 C ATOM 160 OG SER A 10 2.253 -8.117 -3.134 1.00 1.00 O ATOM 0 H SER A 10 0.749 -5.994 -2.801 1.00 1.00 H new ATOM 0 HA SER A 10 3.124 -5.363 -1.452 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.491 -7.791 -1.512 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.790 -7.481 -1.223 1.00 1.00 H new ATOM 0 HG SER A 10 2.324 -9.077 -2.951 1.00 1.00 H new ATOM 166 N ASP A 11 3.460 -6.048 -4.657 1.00 1.00 N ATOM 167 CA ASP A 11 4.400 -5.974 -5.770 1.00 1.00 C ATOM 168 C ASP A 11 4.960 -4.565 -5.908 1.00 1.00 C ATOM 169 O ASP A 11 6.149 -4.371 -6.128 1.00 1.00 O ATOM 170 CB ASP A 11 3.700 -6.373 -7.064 1.00 1.00 C ATOM 171 CG ASP A 11 4.729 -6.649 -8.159 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.856 -6.973 -7.822 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.373 -6.531 -9.322 1.00 1.00 O ATOM 0 H ASP A 11 2.505 -6.294 -4.919 1.00 1.00 H new ATOM 0 HA ASP A 11 5.224 -6.660 -5.572 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.090 -7.260 -6.897 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.026 -5.578 -7.381 1.00 1.00 H new ATOM 178 N ILE A 12 4.089 -3.579 -5.786 1.00 1.00 N ATOM 179 CA ILE A 12 4.507 -2.191 -5.894 1.00 1.00 C ATOM 180 C ILE A 12 5.374 -1.803 -4.700 1.00 1.00 C ATOM 181 O ILE A 12 6.366 -1.094 -4.842 1.00 1.00 O ATOM 182 CB ILE A 12 3.279 -1.290 -5.946 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.482 -1.595 -7.228 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.733 0.182 -5.967 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.044 -1.104 -7.074 1.00 1.00 C ATOM 0 H ILE A 12 3.093 -3.712 -5.613 1.00 1.00 H new ATOM 0 HA ILE A 12 5.090 -2.070 -6.807 1.00 1.00 H new ATOM 0 HB ILE A 12 2.652 -1.469 -5.073 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.952 -1.109 -8.083 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.491 -2.667 -7.426 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.859 0.832 -6.004 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.308 0.398 -5.067 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.354 0.359 -6.845 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.485 -1.323 -7.984 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.575 -1.610 -6.230 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.044 -0.028 -6.898 1.00 1.00 H new ATOM 197 N VAL A 13 4.969 -2.247 -3.515 1.00 1.00 N ATOM 198 CA VAL A 13 5.707 -1.912 -2.294 1.00 1.00 C ATOM 199 C VAL A 13 7.099 -2.538 -2.276 1.00 1.00 C ATOM 200 O VAL A 13 8.098 -1.845 -2.103 1.00 1.00 O ATOM 201 CB VAL A 13 4.928 -2.399 -1.070 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.754 -2.164 0.202 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.601 -1.637 -0.968 1.00 1.00 C ATOM 0 H VAL A 13 4.146 -2.832 -3.370 1.00 1.00 H new ATOM 0 HA VAL A 13 5.821 -0.828 -2.270 1.00 1.00 H new ATOM 0 HB VAL A 13 4.728 -3.465 -1.175 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.194 -2.513 1.069 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.693 -2.712 0.132 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.962 -1.099 0.309 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.048 -1.985 -0.096 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.801 -0.570 -0.869 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.010 -1.813 -1.867 1.00 1.00 H new ATOM 213 N LYS A 14 7.158 -3.845 -2.448 1.00 1.00 N ATOM 214 CA LYS A 14 8.434 -4.545 -2.437 1.00 1.00 C ATOM 215 C LYS A 14 9.360 -3.998 -3.521 1.00 1.00 C ATOM 216 O LYS A 14 10.569 -3.892 -3.325 1.00 1.00 O ATOM 217 CB LYS A 14 8.195 -6.043 -2.648 1.00 1.00 C ATOM 218 CG LYS A 14 7.892 -6.330 -4.125 1.00 1.00 C ATOM 219 CD LYS A 14 7.233 -7.701 -4.270 1.00 1.00 C ATOM 220 CE LYS A 14 8.131 -8.768 -3.651 1.00 1.00 C ATOM 221 NZ LYS A 14 7.637 -10.112 -4.046 1.00 1.00 N ATOM 0 H LYS A 14 6.345 -4.443 -2.596 1.00 1.00 H new ATOM 0 HA LYS A 14 8.915 -4.388 -1.472 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.074 -6.606 -2.334 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.363 -6.377 -2.027 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.235 -5.558 -4.526 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.814 -6.298 -4.706 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.259 -7.701 -3.780 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.060 -7.923 -5.323 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.160 -8.633 -3.985 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.133 -8.673 -2.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.246 -10.843 -3.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.662 -10.237 -3.707 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.656 -10.198 -5.082 1.00 1.00 H new ATOM 235 N GLU A 15 8.776 -3.656 -4.660 1.00 1.00 N ATOM 236 CA GLU A 15 9.548 -3.119 -5.770 1.00 1.00 C ATOM 237 C GLU A 15 10.012 -1.700 -5.477 1.00 1.00 C ATOM 238 O GLU A 15 11.102 -1.292 -5.873 1.00 1.00 O ATOM 239 CB GLU A 15 8.708 -3.139 -7.045 1.00 1.00 C ATOM 240 CG GLU A 15 8.585 -4.580 -7.558 1.00 1.00 C ATOM 241 CD GLU A 15 7.632 -4.632 -8.749 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.152 -3.583 -9.143 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.396 -5.720 -9.248 1.00 1.00 O ATOM 0 H GLU A 15 7.775 -3.740 -4.839 1.00 1.00 H new ATOM 0 HA GLU A 15 10.430 -3.745 -5.907 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.718 -2.727 -6.847 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.169 -2.509 -7.806 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.566 -4.955 -7.850 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.220 -5.228 -6.761 1.00 1.00 H new ATOM 250 N LYS A 16 9.172 -0.949 -4.790 1.00 1.00 N ATOM 251 CA LYS A 16 9.496 0.425 -4.447 1.00 1.00 C ATOM 252 C LYS A 16 10.573 0.494 -3.373 1.00 1.00 C ATOM 253 O LYS A 16 11.406 1.397 -3.376 1.00 1.00 O ATOM 254 CB LYS A 16 8.241 1.143 -3.957 1.00 1.00 C ATOM 255 CG LYS A 16 7.324 1.465 -5.156 1.00 1.00 C ATOM 256 CD LYS A 16 7.704 2.825 -5.774 1.00 1.00 C ATOM 257 CE LYS A 16 7.034 3.965 -4.998 1.00 1.00 C ATOM 258 NZ LYS A 16 7.271 5.248 -5.709 1.00 1.00 N ATOM 0 H LYS A 16 8.261 -1.266 -4.458 1.00 1.00 H new ATOM 0 HA LYS A 16 9.879 0.913 -5.343 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.710 0.518 -3.238 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.515 2.062 -3.439 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.409 0.680 -5.908 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.284 1.484 -4.831 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.787 2.951 -5.757 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.396 2.857 -6.819 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.964 3.779 -4.907 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.436 4.017 -3.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 7.965 5.814 -5.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.637 5.054 -6.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.377 5.775 -5.781 1.00 1.00 H new ATOM 272 N LEU A 17 10.534 -0.452 -2.447 1.00 1.00 N ATOM 273 CA LEU A 17 11.499 -0.475 -1.353 1.00 1.00 C ATOM 274 C LEU A 17 12.739 -1.269 -1.736 1.00 1.00 C ATOM 275 O LEU A 17 13.760 -1.203 -1.052 1.00 1.00 O ATOM 276 CB LEU A 17 10.852 -1.106 -0.120 1.00 1.00 C ATOM 277 CG LEU A 17 9.596 -0.310 0.272 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.929 -0.975 1.481 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.972 1.145 0.618 1.00 1.00 C ATOM 0 H LEU A 17 9.851 -1.209 -2.429 1.00 1.00 H new ATOM 0 HA LEU A 17 11.800 0.550 -1.135 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.587 -2.143 -0.327 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.560 -1.117 0.708 1.00 1.00 H new ATOM 0 HG LEU A 17 8.903 -0.301 -0.569 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.038 -0.412 1.760 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.647 -1.996 1.225 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.626 -0.990 2.319 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.074 1.697 0.894 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.672 1.151 1.453 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.436 1.617 -0.248 1.00 1.00 H new ATOM 291 N ALA A 18 12.652 -2.005 -2.837 1.00 1.00 N ATOM 292 CA ALA A 18 13.783 -2.801 -3.297 1.00 1.00 C ATOM 293 C ALA A 18 13.472 -3.441 -4.646 1.00 1.00 C ATOM 294 O ALA A 18 12.557 -3.025 -5.346 1.00 1.00 O ATOM 295 CB ALA A 18 14.116 -3.891 -2.272 1.00 1.00 C ATOM 0 H ALA A 18 11.819 -2.067 -3.423 1.00 1.00 H new ATOM 0 HA ALA A 18 14.643 -2.141 -3.410 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.962 -4.478 -2.628 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.370 -3.428 -1.318 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.252 -4.542 -2.140 1.00 1.00 H new ATOM 301 N LEU A 19 14.244 -4.460 -4.999 1.00 1.00 N ATOM 302 CA LEU A 19 14.041 -5.155 -6.268 1.00 1.00 C ATOM 303 C LEU A 19 12.853 -6.103 -6.176 1.00 1.00 C ATOM 304 O LEU A 19 12.249 -6.459 -7.187 1.00 1.00 O ATOM 305 CB LEU A 19 15.296 -5.941 -6.638 1.00 1.00 C ATOM 306 CG LEU A 19 16.513 -5.011 -6.588 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.775 -5.808 -6.925 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.341 -3.861 -7.597 1.00 1.00 C ATOM 0 H LEU A 19 15.010 -4.823 -4.432 1.00 1.00 H new ATOM 0 HA LEU A 19 13.838 -4.412 -7.039 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.433 -6.774 -5.949 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.191 -6.367 -7.636 1.00 1.00 H new ATOM 0 HG LEU A 19 16.602 -4.591 -5.586 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.642 -5.148 -6.890 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.902 -6.612 -6.200 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.682 -6.232 -7.925 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.211 -3.206 -7.554 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.245 -4.271 -8.603 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.445 -3.291 -7.350 1.00 1.00 H new ATOM 320 N GLY A 20 12.523 -6.507 -4.953 1.00 1.00 N ATOM 321 CA GLY A 20 11.402 -7.420 -4.724 1.00 1.00 C ATOM 322 C GLY A 20 11.895 -8.856 -4.577 1.00 1.00 C ATOM 323 O GLY A 20 11.224 -9.696 -3.979 1.00 1.00 O ATOM 0 H GLY A 20 13.013 -6.219 -4.106 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.862 -7.122 -3.825 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.699 -7.355 -5.554 1.00 1.00 H new ATOM 327 N ALA A 21 13.076 -9.136 -5.127 1.00 1.00 N ATOM 328 CA ALA A 21 13.653 -10.477 -5.049 1.00 1.00 C ATOM 329 C ALA A 21 14.540 -10.614 -3.817 1.00 1.00 C ATOM 330 O ALA A 21 14.684 -11.704 -3.263 1.00 1.00 O ATOM 331 CB ALA A 21 14.478 -10.761 -6.303 1.00 1.00 C ATOM 0 H ALA A 21 13.649 -8.457 -5.628 1.00 1.00 H new ATOM 0 HA ALA A 21 12.837 -11.196 -4.975 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.905 -11.762 -6.239 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.837 -10.696 -7.182 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.281 -10.028 -6.384 1.00 1.00 H new ATOM 337 N ASP A 22 15.132 -9.501 -3.390 1.00 1.00 N ATOM 338 CA ASP A 22 16.008 -9.504 -2.220 1.00 1.00 C ATOM 339 C ASP A 22 15.223 -9.179 -0.956 1.00 1.00 C ATOM 340 O ASP A 22 15.778 -9.156 0.143 1.00 1.00 O ATOM 341 CB ASP A 22 17.120 -8.472 -2.401 1.00 1.00 C ATOM 342 CG ASP A 22 16.522 -7.105 -2.713 1.00 1.00 C ATOM 343 OD1 ASP A 22 15.309 -7.019 -2.820 1.00 1.00 O ATOM 344 OD2 ASP A 22 17.285 -6.161 -2.833 1.00 1.00 O ATOM 0 H ASP A 22 15.022 -8.589 -3.834 1.00 1.00 H new ATOM 0 HA ASP A 22 16.440 -10.500 -2.121 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.724 -8.415 -1.496 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.784 -8.780 -3.209 1.00 1.00 H new ATOM 349 N VAL A 23 13.926 -8.930 -1.117 1.00 1.00 N ATOM 350 CA VAL A 23 13.060 -8.605 0.017 1.00 1.00 C ATOM 351 C VAL A 23 11.788 -9.440 -0.034 1.00 1.00 C ATOM 352 O VAL A 23 11.343 -9.844 -1.110 1.00 1.00 O ATOM 353 CB VAL A 23 12.699 -7.119 -0.013 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.908 -6.802 -1.283 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.853 -6.780 1.216 1.00 1.00 C ATOM 0 H VAL A 23 13.451 -8.947 -2.019 1.00 1.00 H new ATOM 0 HA VAL A 23 13.595 -8.829 0.940 1.00 1.00 H new ATOM 0 HB VAL A 23 13.613 -6.525 -0.005 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.654 -5.742 -1.298 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.512 -7.043 -2.158 1.00 1.00 H new ATOM 0 HG13 VAL A 23 10.993 -7.395 -1.299 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.594 -5.721 1.198 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.941 -7.377 1.206 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.421 -6.999 2.120 1.00 1.00 H new ATOM 365 N VAL A 24 11.203 -9.692 1.133 1.00 1.00 N ATOM 366 CA VAL A 24 9.972 -10.478 1.222 1.00 1.00 C ATOM 367 C VAL A 24 8.920 -9.713 2.015 1.00 1.00 C ATOM 368 O VAL A 24 9.168 -9.280 3.142 1.00 1.00 O ATOM 369 CB VAL A 24 10.255 -11.817 1.911 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.953 -11.576 3.256 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.937 -12.562 2.145 1.00 1.00 C ATOM 0 H VAL A 24 11.559 -9.365 2.031 1.00 1.00 H new ATOM 0 HA VAL A 24 9.600 -10.661 0.214 1.00 1.00 H new ATOM 0 HB VAL A 24 10.904 -12.416 1.273 1.00 1.00 H new ATOM 0 HG11 VAL A 24 11.151 -12.533 3.740 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.894 -11.052 3.089 1.00 1.00 H new ATOM 0 HG13 VAL A 24 10.310 -10.972 3.896 1.00 1.00 H new ATOM 0 HG21 VAL A 24 9.139 -13.514 2.635 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.286 -11.959 2.778 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.447 -12.743 1.189 1.00 1.00 H new ATOM 381 N VAL A 25 7.743 -9.549 1.417 1.00 1.00 N ATOM 382 CA VAL A 25 6.638 -8.837 2.064 1.00 1.00 C ATOM 383 C VAL A 25 5.438 -9.764 2.230 1.00 1.00 C ATOM 384 O VAL A 25 5.135 -10.569 1.348 1.00 1.00 O ATOM 385 CB VAL A 25 6.232 -7.624 1.231 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.919 -8.065 -0.198 1.00 1.00 C ATOM 387 CG2 VAL A 25 4.996 -6.970 1.852 1.00 1.00 C ATOM 0 H VAL A 25 7.527 -9.899 0.484 1.00 1.00 H new ATOM 0 HA VAL A 25 6.972 -8.503 3.046 1.00 1.00 H new ATOM 0 HB VAL A 25 7.051 -6.905 1.213 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.629 -7.198 -0.791 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.803 -8.527 -0.638 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.101 -8.786 -0.186 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.705 -6.104 1.258 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.176 -7.688 1.872 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.225 -6.652 2.869 1.00 1.00 H new ATOM 397 N THR A 26 4.759 -9.645 3.368 1.00 1.00 N ATOM 398 CA THR A 26 3.584 -10.473 3.658 1.00 1.00 C ATOM 399 C THR A 26 2.443 -9.613 4.198 1.00 1.00 C ATOM 400 O THR A 26 2.652 -8.488 4.644 1.00 1.00 O ATOM 401 CB THR A 26 3.951 -11.560 4.684 1.00 1.00 C ATOM 402 OG1 THR A 26 4.877 -11.027 5.620 1.00 1.00 O ATOM 403 CG2 THR A 26 4.573 -12.760 3.972 1.00 1.00 C ATOM 0 H THR A 26 5.000 -8.984 4.107 1.00 1.00 H new ATOM 0 HA THR A 26 3.255 -10.947 2.733 1.00 1.00 H new ATOM 0 HB THR A 26 3.050 -11.885 5.204 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.397 -10.494 6.288 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.830 -13.525 4.705 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.860 -13.168 3.256 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.474 -12.444 3.446 1.00 1.00 H new ATOM 411 N ALA A 27 1.232 -10.156 4.147 1.00 1.00 N ATOM 412 CA ALA A 27 0.068 -9.443 4.625 1.00 1.00 C ATOM 413 C ALA A 27 0.254 -9.053 6.084 1.00 1.00 C ATOM 414 O ALA A 27 -0.371 -8.113 6.572 1.00 1.00 O ATOM 415 CB ALA A 27 -1.166 -10.333 4.467 1.00 1.00 C ATOM 0 H ALA A 27 1.037 -11.087 3.779 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.066 -8.532 4.041 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.047 -9.801 4.826 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.299 -10.587 3.415 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.033 -11.246 5.047 1.00 1.00 H new ATOM 421 N ASP A 28 1.115 -9.788 6.777 1.00 1.00 N ATOM 422 CA ASP A 28 1.378 -9.516 8.191 1.00 1.00 C ATOM 423 C ASP A 28 2.607 -8.623 8.352 1.00 1.00 C ATOM 424 O ASP A 28 2.897 -8.145 9.451 1.00 1.00 O ATOM 425 CB ASP A 28 1.610 -10.831 8.935 1.00 1.00 C ATOM 426 CG ASP A 28 1.474 -10.610 10.442 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.333 -9.467 10.841 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.508 -11.589 11.172 1.00 1.00 O ATOM 0 H ASP A 28 1.641 -10.572 6.390 1.00 1.00 H new ATOM 0 HA ASP A 28 0.512 -9.001 8.608 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.890 -11.579 8.602 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.602 -11.219 8.704 1.00 1.00 H new ATOM 433 N SER A 29 3.328 -8.400 7.254 1.00 1.00 N ATOM 434 CA SER A 29 4.518 -7.568 7.294 1.00 1.00 C ATOM 435 C SER A 29 4.136 -6.097 7.412 1.00 1.00 C ATOM 436 O SER A 29 3.208 -5.632 6.750 1.00 1.00 O ATOM 437 CB SER A 29 5.342 -7.782 6.026 1.00 1.00 C ATOM 438 OG SER A 29 6.453 -6.907 6.045 1.00 1.00 O ATOM 0 H SER A 29 3.107 -8.783 6.335 1.00 1.00 H new ATOM 0 HA SER A 29 5.110 -7.849 8.165 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.679 -8.817 5.966 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.730 -7.595 5.144 1.00 1.00 H new ATOM 0 HG SER A 29 6.266 -6.129 5.479 1.00 1.00 H new ATOM 444 N GLU A 30 4.858 -5.370 8.258 1.00 1.00 N ATOM 445 CA GLU A 30 4.590 -3.948 8.459 1.00 1.00 C ATOM 446 C GLU A 30 5.414 -3.111 7.488 1.00 1.00 C ATOM 447 O GLU A 30 6.525 -3.486 7.124 1.00 1.00 O ATOM 448 CB GLU A 30 4.935 -3.550 9.895 1.00 1.00 C ATOM 449 CG GLU A 30 3.965 -4.235 10.859 1.00 1.00 C ATOM 450 CD GLU A 30 4.346 -3.912 12.300 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.304 -3.181 12.489 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.674 -4.401 13.193 1.00 1.00 O ATOM 0 H GLU A 30 5.630 -5.738 8.814 1.00 1.00 H new ATOM 0 HA GLU A 30 3.531 -3.765 8.276 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.960 -3.838 10.128 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.874 -2.468 10.009 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.946 -3.902 10.660 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.984 -5.313 10.702 1.00 1.00 H new ATOM 459 N PHE A 31 4.863 -1.978 7.073 1.00 1.00 N ATOM 460 CA PHE A 31 5.559 -1.097 6.142 1.00 1.00 C ATOM 461 C PHE A 31 6.885 -0.632 6.734 1.00 1.00 C ATOM 462 O PHE A 31 7.892 -0.545 6.031 1.00 1.00 O ATOM 463 CB PHE A 31 4.684 0.118 5.819 1.00 1.00 C ATOM 464 CG PHE A 31 3.557 -0.296 4.900 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.808 -0.506 3.537 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.259 -0.473 5.406 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.767 -0.887 2.687 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.222 -0.854 4.551 1.00 1.00 C ATOM 469 CZ PHE A 31 1.476 -1.062 3.194 1.00 1.00 C ATOM 0 H PHE A 31 3.943 -1.648 7.363 1.00 1.00 H new ATOM 0 HA PHE A 31 5.760 -1.652 5.226 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.280 0.542 6.738 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.284 0.896 5.347 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.805 -0.373 3.144 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.062 -0.315 6.456 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.960 -1.047 1.636 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.223 -0.988 4.940 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.674 -1.359 2.535 1.00 1.00 H new ATOM 479 N SER A 32 6.878 -0.335 8.027 1.00 1.00 N ATOM 480 CA SER A 32 8.089 0.121 8.700 1.00 1.00 C ATOM 481 C SER A 32 9.168 -0.958 8.661 1.00 1.00 C ATOM 482 O SER A 32 10.353 -0.660 8.519 1.00 1.00 O ATOM 483 CB SER A 32 7.773 0.477 10.151 1.00 1.00 C ATOM 484 OG SER A 32 7.244 -0.665 10.812 1.00 1.00 O ATOM 0 H SER A 32 6.056 -0.400 8.627 1.00 1.00 H new ATOM 0 HA SER A 32 8.460 1.004 8.180 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.675 0.819 10.658 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.056 1.297 10.188 1.00 1.00 H new ATOM 0 HG SER A 32 7.042 -0.439 11.744 1.00 1.00 H new ATOM 490 N LYS A 33 8.750 -2.211 8.788 1.00 1.00 N ATOM 491 CA LYS A 33 9.690 -3.325 8.766 1.00 1.00 C ATOM 492 C LYS A 33 10.400 -3.412 7.423 1.00 1.00 C ATOM 493 O LYS A 33 11.596 -3.688 7.359 1.00 1.00 O ATOM 494 CB LYS A 33 8.943 -4.635 9.041 1.00 1.00 C ATOM 495 CG LYS A 33 8.508 -4.707 10.515 1.00 1.00 C ATOM 496 CD LYS A 33 9.663 -5.225 11.380 1.00 1.00 C ATOM 497 CE LYS A 33 9.212 -5.311 12.835 1.00 1.00 C ATOM 498 NZ LYS A 33 10.345 -5.800 13.668 1.00 1.00 N ATOM 0 H LYS A 33 7.773 -2.481 8.907 1.00 1.00 H new ATOM 0 HA LYS A 33 10.439 -3.159 9.540 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.069 -4.705 8.394 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.585 -5.483 8.803 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.199 -3.720 10.860 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.644 -5.364 10.616 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.982 -6.206 11.029 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.522 -4.560 11.293 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.883 -4.333 13.185 1.00 1.00 H new ATOM 0 HE3 LYS A 33 8.360 -5.985 12.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.044 -5.861 14.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.639 -6.741 13.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.145 -5.140 13.588 1.00 1.00 H new ATOM 512 N LEU A 34 9.656 -3.180 6.354 1.00 1.00 N ATOM 513 CA LEU A 34 10.223 -3.246 5.017 1.00 1.00 C ATOM 514 C LEU A 34 11.237 -2.129 4.818 1.00 1.00 C ATOM 515 O LEU A 34 12.045 -2.170 3.892 1.00 1.00 O ATOM 516 CB LEU A 34 9.111 -3.122 3.976 1.00 1.00 C ATOM 517 CG LEU A 34 8.070 -4.224 4.198 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.942 -4.075 3.170 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.725 -5.613 4.065 1.00 1.00 C ATOM 0 H LEU A 34 8.664 -2.946 6.385 1.00 1.00 H new ATOM 0 HA LEU A 34 10.726 -4.205 4.897 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.639 -2.142 4.049 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.529 -3.200 2.972 1.00 1.00 H new ATOM 0 HG LEU A 34 7.659 -4.130 5.203 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.201 -4.859 3.327 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.469 -3.100 3.287 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.353 -4.161 2.164 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.974 -6.386 4.225 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.150 -5.721 3.067 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.515 -5.715 4.809 1.00 1.00 H new ATOM 531 N GLY A 35 11.194 -1.130 5.697 1.00 1.00 N ATOM 532 CA GLY A 35 12.117 0.004 5.617 1.00 1.00 C ATOM 533 C GLY A 35 11.406 1.253 5.115 1.00 1.00 C ATOM 534 O GLY A 35 12.010 2.320 5.007 1.00 1.00 O ATOM 0 H GLY A 35 10.532 -1.081 6.472 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.548 0.197 6.600 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.943 -0.241 4.950 1.00 1.00 H new ATOM 538 N ALA A 36 10.120 1.118 4.812 1.00 1.00 N ATOM 539 CA ALA A 36 9.344 2.249 4.325 1.00 1.00 C ATOM 540 C ALA A 36 9.440 3.417 5.301 1.00 1.00 C ATOM 541 O ALA A 36 8.875 3.372 6.394 1.00 1.00 O ATOM 542 CB ALA A 36 7.878 1.840 4.162 1.00 1.00 C ATOM 0 H ALA A 36 9.598 0.245 4.894 1.00 1.00 H new ATOM 0 HA ALA A 36 9.746 2.558 3.360 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.301 2.690 3.797 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.806 1.020 3.448 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.481 1.518 5.125 1.00 1.00 H new ATOM 548 N ASP A 37 10.154 4.464 4.896 1.00 1.00 N ATOM 549 CA ASP A 37 10.315 5.649 5.738 1.00 1.00 C ATOM 550 C ASP A 37 9.270 6.697 5.387 1.00 1.00 C ATOM 551 O ASP A 37 8.362 6.448 4.596 1.00 1.00 O ATOM 552 CB ASP A 37 11.712 6.239 5.551 1.00 1.00 C ATOM 553 CG ASP A 37 12.016 7.252 6.648 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.350 7.208 7.670 1.00 1.00 O ATOM 555 OD2 ASP A 37 12.911 8.057 6.453 1.00 1.00 O ATOM 0 H ASP A 37 10.629 4.518 3.995 1.00 1.00 H new ATOM 0 HA ASP A 37 10.184 5.352 6.779 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.455 5.442 5.568 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.783 6.719 4.575 1.00 1.00 H new ATOM 560 N SER A 38 9.410 7.871 5.983 1.00 1.00 N ATOM 561 CA SER A 38 8.474 8.964 5.734 1.00 1.00 C ATOM 562 C SER A 38 8.492 9.363 4.260 1.00 1.00 C ATOM 563 O SER A 38 7.446 9.584 3.651 1.00 1.00 O ATOM 564 CB SER A 38 8.832 10.172 6.599 1.00 1.00 C ATOM 0 H SER A 38 10.158 8.094 6.640 1.00 1.00 H new ATOM 0 HA SER A 38 7.472 8.621 5.992 1.00 1.00 H new ATOM 569 N LEU A 39 9.691 9.449 3.699 1.00 1.00 N ATOM 570 CA LEU A 39 9.853 9.816 2.296 1.00 1.00 C ATOM 571 C LEU A 39 9.317 8.716 1.387 1.00 1.00 C ATOM 572 O LEU A 39 8.836 8.982 0.285 1.00 1.00 O ATOM 573 CB LEU A 39 11.329 10.066 1.985 1.00 1.00 C ATOM 574 CG LEU A 39 11.904 11.063 2.998 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.397 11.264 2.722 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.169 12.412 2.886 1.00 1.00 C ATOM 0 H LEU A 39 10.566 9.270 4.192 1.00 1.00 H new ATOM 0 HA LEU A 39 9.286 10.729 2.114 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.884 9.129 2.026 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.437 10.456 0.973 1.00 1.00 H new ATOM 0 HG LEU A 39 11.769 10.670 4.005 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.808 11.973 3.441 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.916 10.310 2.816 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.531 11.653 1.713 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.584 13.114 3.609 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.294 12.812 1.880 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.108 12.266 3.090 1.00 1.00 H new ATOM 588 N ASP A 40 9.423 7.475 1.849 1.00 1.00 N ATOM 589 CA ASP A 40 8.952 6.337 1.071 1.00 1.00 C ATOM 590 C ASP A 40 7.450 6.152 1.230 1.00 1.00 C ATOM 591 O ASP A 40 6.733 5.982 0.254 1.00 1.00 O ATOM 592 CB ASP A 40 9.677 5.065 1.512 1.00 1.00 C ATOM 593 CG ASP A 40 11.128 5.102 1.042 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.437 5.928 0.198 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.909 4.304 1.532 1.00 1.00 O ATOM 0 H ASP A 40 9.829 7.233 2.753 1.00 1.00 H new ATOM 0 HA ASP A 40 9.167 6.532 0.020 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.640 4.973 2.597 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.175 4.189 1.101 1.00 1.00 H new ATOM 600 N THR A 41 6.982 6.186 2.471 1.00 1.00 N ATOM 601 CA THR A 41 5.566 5.997 2.750 1.00 1.00 C ATOM 602 C THR A 41 4.704 6.822 1.796 1.00 1.00 C ATOM 603 O THR A 41 3.677 6.350 1.306 1.00 1.00 O ATOM 604 CB THR A 41 5.277 6.417 4.198 1.00 1.00 C ATOM 605 OG1 THR A 41 6.008 7.594 4.505 1.00 1.00 O ATOM 606 CG2 THR A 41 5.677 5.300 5.168 1.00 1.00 C ATOM 0 H THR A 41 7.560 6.342 3.297 1.00 1.00 H new ATOM 0 HA THR A 41 5.320 4.945 2.608 1.00 1.00 H new ATOM 0 HB THR A 41 4.209 6.609 4.302 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.326 8.007 3.675 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.466 5.613 6.190 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.108 4.399 4.940 1.00 1.00 H new ATOM 0 HG23 THR A 41 6.742 5.092 5.065 1.00 1.00 H new ATOM 614 N VAL A 42 5.135 8.038 1.530 1.00 1.00 N ATOM 615 CA VAL A 42 4.401 8.913 0.624 1.00 1.00 C ATOM 616 C VAL A 42 4.506 8.399 -0.810 1.00 1.00 C ATOM 617 O VAL A 42 3.566 8.528 -1.594 1.00 1.00 O ATOM 618 CB VAL A 42 4.937 10.344 0.719 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.440 10.334 0.488 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.263 11.217 -0.344 1.00 1.00 C ATOM 0 H VAL A 42 5.984 8.446 1.923 1.00 1.00 H new ATOM 0 HA VAL A 42 3.351 8.915 0.915 1.00 1.00 H new ATOM 0 HB VAL A 42 4.721 10.748 1.708 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.825 11.351 0.555 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.920 9.714 1.245 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.653 9.930 -0.501 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.646 12.235 -0.275 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.478 10.815 -1.334 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.185 11.223 -0.180 1.00 1.00 H new ATOM 630 N GLU A 43 5.650 7.811 -1.143 1.00 1.00 N ATOM 631 CA GLU A 43 5.859 7.277 -2.477 1.00 1.00 C ATOM 632 C GLU A 43 4.978 6.057 -2.712 1.00 1.00 C ATOM 633 O GLU A 43 4.497 5.832 -3.823 1.00 1.00 O ATOM 634 CB GLU A 43 7.333 6.905 -2.672 1.00 1.00 C ATOM 635 CG GLU A 43 8.176 8.174 -2.809 1.00 1.00 C ATOM 636 CD GLU A 43 9.646 7.809 -2.967 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.944 6.627 -3.003 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.454 8.719 -3.050 1.00 1.00 O ATOM 0 H GLU A 43 6.441 7.694 -0.509 1.00 1.00 H new ATOM 0 HA GLU A 43 5.587 8.045 -3.201 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.683 6.315 -1.825 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.446 6.285 -3.561 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.842 8.751 -3.671 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.042 8.806 -1.931 1.00 1.00 H new ATOM 645 N ILE A 44 4.771 5.272 -1.662 1.00 1.00 N ATOM 646 CA ILE A 44 3.949 4.073 -1.768 1.00 1.00 C ATOM 647 C ILE A 44 2.517 4.437 -2.121 1.00 1.00 C ATOM 648 O ILE A 44 1.910 3.832 -3.004 1.00 1.00 O ATOM 649 CB ILE A 44 3.979 3.300 -0.445 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.424 2.987 -0.045 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.203 2.002 -0.579 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.163 2.250 -1.168 1.00 1.00 C ATOM 0 H ILE A 44 5.158 5.442 -0.734 1.00 1.00 H new ATOM 0 HA ILE A 44 4.354 3.444 -2.561 1.00 1.00 H new ATOM 0 HB ILE A 44 3.519 3.919 0.325 1.00 1.00 H new ATOM 0 HG12 ILE A 44 5.947 3.913 0.191 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.430 2.378 0.859 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.232 1.462 0.367 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.168 2.222 -0.840 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.652 1.389 -1.361 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.186 2.042 -0.855 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.652 1.312 -1.386 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.177 2.872 -2.063 1.00 1.00 H new ATOM 664 N VAL A 45 1.980 5.427 -1.427 1.00 1.00 N ATOM 665 CA VAL A 45 0.614 5.857 -1.680 1.00 1.00 C ATOM 666 C VAL A 45 0.505 6.525 -3.046 1.00 1.00 C ATOM 667 O VAL A 45 -0.437 6.279 -3.794 1.00 1.00 O ATOM 668 CB VAL A 45 0.171 6.839 -0.598 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.274 7.272 -0.859 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.271 6.166 0.770 1.00 1.00 C ATOM 0 H VAL A 45 2.463 5.944 -0.692 1.00 1.00 H new ATOM 0 HA VAL A 45 -0.032 4.979 -1.665 1.00 1.00 H new ATOM 0 HB VAL A 45 0.816 7.717 -0.616 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.589 7.973 -0.086 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.339 7.754 -1.834 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.924 6.398 -0.843 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.045 6.866 1.544 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.373 5.287 0.791 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.302 5.865 0.953 1.00 1.00 H new ATOM 680 N MET A 46 1.472 7.380 -3.361 1.00 1.00 N ATOM 681 CA MET A 46 1.462 8.090 -4.634 1.00 1.00 C ATOM 682 C MET A 46 1.398 7.110 -5.800 1.00 1.00 C ATOM 683 O MET A 46 0.604 7.284 -6.725 1.00 1.00 O ATOM 684 CB MET A 46 2.723 8.947 -4.761 1.00 1.00 C ATOM 685 CG MET A 46 2.644 9.806 -6.029 1.00 1.00 C ATOM 686 SD MET A 46 4.176 10.753 -6.215 1.00 1.00 S ATOM 687 CE MET A 46 4.019 11.753 -4.714 1.00 1.00 C ATOM 0 H MET A 46 2.266 7.597 -2.758 1.00 1.00 H new ATOM 0 HA MET A 46 0.579 8.728 -4.663 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.829 9.586 -3.884 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.605 8.308 -4.798 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.488 9.172 -6.901 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.791 10.482 -5.970 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.548 12.696 -4.848 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.965 11.953 -4.518 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.449 11.213 -3.870 1.00 1.00 H new ATOM 697 N ASN A 47 2.238 6.084 -5.757 1.00 1.00 N ATOM 698 CA ASN A 47 2.261 5.091 -6.822 1.00 1.00 C ATOM 699 C ASN A 47 0.935 4.337 -6.886 1.00 1.00 C ATOM 700 O ASN A 47 0.404 4.089 -7.968 1.00 1.00 O ATOM 701 CB ASN A 47 3.410 4.103 -6.581 1.00 1.00 C ATOM 702 CG ASN A 47 4.736 4.731 -6.998 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.010 5.953 -6.633 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.545 4.089 -7.668 1.00 1.00 N flip ATOM 0 H ASN A 47 2.906 5.919 -5.004 1.00 1.00 H new ATOM 0 HA ASN A 47 2.413 5.603 -7.772 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.446 3.824 -5.528 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.238 3.188 -7.147 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.328 3.134 -7.952 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.432 4.512 -7.939 1.00 1.00 H new ATOM 711 N LEU A 48 0.411 3.970 -5.726 1.00 1.00 N ATOM 712 CA LEU A 48 -0.844 3.238 -5.670 1.00 1.00 C ATOM 713 C LEU A 48 -1.991 4.091 -6.186 1.00 1.00 C ATOM 714 O LEU A 48 -2.848 3.614 -6.926 1.00 1.00 O ATOM 715 CB LEU A 48 -1.120 2.802 -4.224 1.00 1.00 C ATOM 716 CG LEU A 48 -0.099 1.744 -3.790 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.075 1.660 -2.262 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.492 0.370 -4.339 1.00 1.00 C ATOM 0 H LEU A 48 0.832 4.165 -4.818 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.763 2.357 -6.306 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.067 3.664 -3.559 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.130 2.399 -4.144 1.00 1.00 H new ATOM 0 HG LEU A 48 0.881 2.027 -4.175 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.650 0.908 -1.950 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.206 2.629 -1.849 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.064 1.383 -1.897 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.242 -0.372 -4.023 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.475 0.093 -3.958 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.523 0.409 -5.428 1.00 1.00 H new ATOM 730 N GLU A 49 -2.000 5.353 -5.798 1.00 1.00 N ATOM 731 CA GLU A 49 -3.054 6.255 -6.230 1.00 1.00 C ATOM 732 C GLU A 49 -3.102 6.339 -7.748 1.00 1.00 C ATOM 733 O GLU A 49 -4.176 6.376 -8.347 1.00 1.00 O ATOM 734 CB GLU A 49 -2.823 7.649 -5.636 1.00 1.00 C ATOM 735 CG GLU A 49 -3.215 7.654 -4.154 1.00 1.00 C ATOM 736 CD GLU A 49 -2.892 9.010 -3.537 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.365 9.851 -4.246 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.172 9.186 -2.363 1.00 1.00 O ATOM 0 H GLU A 49 -1.297 5.775 -5.191 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.009 5.866 -5.876 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.776 7.932 -5.746 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.412 8.388 -6.180 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.279 7.441 -4.049 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.679 6.867 -3.624 1.00 1.00 H new ATOM 745 N GLU A 50 -1.933 6.366 -8.356 1.00 1.00 N ATOM 746 CA GLU A 50 -1.838 6.440 -9.810 1.00 1.00 C ATOM 747 C GLU A 50 -2.170 5.096 -10.446 1.00 1.00 C ATOM 748 O GLU A 50 -2.762 5.039 -11.524 1.00 1.00 O ATOM 749 CB GLU A 50 -0.432 6.872 -10.229 1.00 1.00 C ATOM 750 CG GLU A 50 -0.379 7.050 -11.752 1.00 1.00 C ATOM 751 CD GLU A 50 1.002 7.540 -12.172 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.904 7.481 -11.353 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.136 7.970 -13.306 1.00 1.00 O ATOM 0 H GLU A 50 -1.035 6.338 -7.873 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.561 7.179 -10.157 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.165 7.806 -9.734 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.297 6.125 -9.915 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.604 6.104 -12.245 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.139 7.764 -12.070 1.00 1.00 H new ATOM 760 N GLU A 51 -1.769 4.013 -9.784 1.00 1.00 N ATOM 761 CA GLU A 51 -2.018 2.682 -10.310 1.00 1.00 C ATOM 762 C GLU A 51 -3.509 2.375 -10.341 1.00 1.00 C ATOM 763 O GLU A 51 -4.019 1.845 -11.327 1.00 1.00 O ATOM 764 CB GLU A 51 -1.304 1.642 -9.444 1.00 1.00 C ATOM 765 CG GLU A 51 -1.265 0.291 -10.166 1.00 1.00 C ATOM 766 CD GLU A 51 -2.651 -0.347 -10.155 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.370 -0.136 -9.191 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.974 -1.032 -11.112 1.00 1.00 O ATOM 0 H GLU A 51 -1.275 4.034 -8.892 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.635 2.643 -11.330 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.290 1.975 -9.225 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.819 1.538 -8.489 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.927 0.428 -11.193 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.548 -0.370 -9.680 1.00 1.00 H new ATOM 775 N PHE A 52 -4.203 2.706 -9.257 1.00 1.00 N ATOM 776 CA PHE A 52 -5.642 2.456 -9.172 1.00 1.00 C ATOM 777 C PHE A 52 -6.424 3.723 -9.498 1.00 1.00 C ATOM 778 O PHE A 52 -7.651 3.696 -9.600 1.00 1.00 O ATOM 779 CB PHE A 52 -5.996 1.975 -7.766 1.00 1.00 C ATOM 780 CG PHE A 52 -5.303 0.661 -7.494 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.821 -0.525 -8.024 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.143 0.628 -6.708 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.181 -1.744 -7.769 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.504 -0.591 -6.452 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.024 -1.777 -6.981 1.00 1.00 C ATOM 0 H PHE A 52 -3.799 3.145 -8.430 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.909 1.687 -9.897 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.692 2.718 -7.029 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.075 1.855 -7.672 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.715 -0.501 -8.630 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.742 1.544 -6.300 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.580 -2.659 -8.180 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.610 -0.616 -5.846 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.533 -2.718 -6.782 1.00 1.00 H new ATOM 795 N GLY A 53 -5.709 4.829 -9.676 1.00 1.00 N ATOM 796 CA GLY A 53 -6.352 6.095 -10.006 1.00 1.00 C ATOM 797 C GLY A 53 -7.286 6.549 -8.888 1.00 1.00 C ATOM 798 O GLY A 53 -8.414 6.966 -9.144 1.00 1.00 O ATOM 0 H GLY A 53 -4.693 4.875 -9.598 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.592 6.857 -10.180 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.915 5.989 -10.933 1.00 1.00 H new ATOM 802 N ILE A 54 -6.808 6.468 -7.646 1.00 1.00 N ATOM 803 CA ILE A 54 -7.606 6.874 -6.485 1.00 1.00 C ATOM 804 C ILE A 54 -6.895 7.979 -5.716 1.00 1.00 C ATOM 805 O ILE A 54 -5.922 8.558 -6.199 1.00 1.00 O ATOM 806 CB ILE A 54 -7.838 5.670 -5.564 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.490 5.098 -5.107 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.620 4.592 -6.323 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.722 3.993 -4.078 1.00 1.00 C ATOM 0 H ILE A 54 -5.875 6.126 -7.417 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.567 7.250 -6.836 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.407 5.989 -4.691 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.943 4.702 -5.963 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.877 5.888 -4.674 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.786 3.735 -5.670 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.581 4.996 -6.642 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.050 4.277 -7.197 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.762 3.589 -3.756 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.251 4.402 -3.217 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.318 3.198 -4.526 1.00 1.00 H new ATOM 821 N ASN A 55 -7.386 8.267 -4.516 1.00 1.00 N ATOM 822 CA ASN A 55 -6.791 9.306 -3.683 1.00 1.00 C ATOM 823 C ASN A 55 -7.031 9.006 -2.212 1.00 1.00 C ATOM 824 O ASN A 55 -8.173 8.829 -1.783 1.00 1.00 O ATOM 825 CB ASN A 55 -7.402 10.664 -4.032 1.00 1.00 C ATOM 826 CG ASN A 55 -8.887 10.671 -3.683 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.260 11.015 -2.562 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.761 10.305 -4.580 1.00 1.00 N ATOM 0 H ASN A 55 -8.191 7.798 -4.099 1.00 1.00 H new ATOM 0 HA ASN A 55 -5.717 9.330 -3.870 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -6.888 11.455 -3.486 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.268 10.871 -5.094 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.755 10.304 -4.353 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.450 10.020 -5.509 1.00 1.00 H new ATOM 835 N VAL A 56 -5.949 8.948 -1.437 1.00 1.00 N ATOM 836 CA VAL A 56 -6.042 8.667 -0.003 1.00 1.00 C ATOM 837 C VAL A 56 -5.248 9.694 0.797 1.00 1.00 C ATOM 838 O VAL A 56 -4.088 9.976 0.491 1.00 1.00 O ATOM 839 CB VAL A 56 -5.502 7.269 0.290 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.572 7.005 1.797 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.351 6.233 -0.451 1.00 1.00 C ATOM 0 H VAL A 56 -4.998 9.092 -1.777 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.090 8.723 0.291 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.467 7.197 -0.044 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.187 6.008 2.010 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.971 7.746 2.324 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.607 7.073 2.131 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -5.968 5.234 -0.244 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.385 6.302 -0.114 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.305 6.424 -1.523 1.00 1.00 H new ATOM 851 N ASP A 57 -5.879 10.247 1.828 1.00 1.00 N ATOM 852 CA ASP A 57 -5.223 11.239 2.670 1.00 1.00 C ATOM 853 C ASP A 57 -4.282 10.557 3.655 1.00 1.00 C ATOM 854 O ASP A 57 -4.510 9.416 4.058 1.00 1.00 O ATOM 855 CB ASP A 57 -6.272 12.050 3.436 1.00 1.00 C ATOM 856 CG ASP A 57 -5.594 13.166 4.222 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.420 13.403 3.983 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.258 13.770 5.048 1.00 1.00 O ATOM 0 H ASP A 57 -6.837 10.026 2.099 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.644 11.909 2.034 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.997 12.472 2.740 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.823 11.399 4.114 1.00 1.00 H new ATOM 863 N GLU A 58 -3.224 11.261 4.038 1.00 1.00 N ATOM 864 CA GLU A 58 -2.253 10.713 4.978 1.00 1.00 C ATOM 865 C GLU A 58 -2.911 10.428 6.323 1.00 1.00 C ATOM 866 O GLU A 58 -2.570 9.457 6.995 1.00 1.00 O ATOM 867 CB GLU A 58 -1.100 11.698 5.171 1.00 1.00 C ATOM 868 CG GLU A 58 -0.280 11.786 3.883 1.00 1.00 C ATOM 869 CD GLU A 58 0.817 12.835 4.032 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.876 13.456 5.081 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.583 13.000 3.098 1.00 1.00 O ATOM 0 H GLU A 58 -3.017 12.206 3.715 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.868 9.779 4.570 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.489 12.682 5.435 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.466 11.374 5.996 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.162 10.816 3.657 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.929 12.043 3.046 1.00 1.00 H new ATOM 878 N ASP A 59 -3.853 11.282 6.709 1.00 1.00 N ATOM 879 CA ASP A 59 -4.553 11.110 7.977 1.00 1.00 C ATOM 880 C ASP A 59 -5.347 9.806 7.985 1.00 1.00 C ATOM 881 O ASP A 59 -5.369 9.085 8.982 1.00 1.00 O ATOM 882 CB ASP A 59 -5.504 12.286 8.210 1.00 1.00 C ATOM 883 CG ASP A 59 -6.215 12.123 9.549 1.00 1.00 C ATOM 884 OD1 ASP A 59 -6.004 11.107 10.191 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.954 13.021 9.918 1.00 1.00 O ATOM 0 H ASP A 59 -4.148 12.094 6.167 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.811 11.074 8.775 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.947 13.223 8.196 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.236 12.338 7.404 1.00 1.00 H new ATOM 890 N LYS A 60 -6.000 9.509 6.863 1.00 1.00 N ATOM 891 CA LYS A 60 -6.789 8.289 6.748 1.00 1.00 C ATOM 892 C LYS A 60 -5.892 7.060 6.798 1.00 1.00 C ATOM 893 O LYS A 60 -6.245 6.043 7.393 1.00 1.00 O ATOM 894 CB LYS A 60 -7.581 8.299 5.444 1.00 1.00 C ATOM 895 CG LYS A 60 -8.662 9.380 5.518 1.00 1.00 C ATOM 896 CD LYS A 60 -9.457 9.387 4.214 1.00 1.00 C ATOM 897 CE LYS A 60 -10.577 10.427 4.300 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.983 11.787 4.441 1.00 1.00 N ATOM 0 H LYS A 60 -5.997 10.093 6.027 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.481 8.248 7.589 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -6.916 8.491 4.602 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.037 7.324 5.274 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.326 9.190 6.361 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.206 10.356 5.685 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.798 9.616 3.376 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.878 8.399 4.028 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.200 10.381 3.406 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.224 10.211 5.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -10.696 12.504 4.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.671 11.929 5.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.168 11.878 3.802 1.00 1.00 H new ATOM 912 N ALA A 61 -4.734 7.160 6.154 1.00 1.00 N ATOM 913 CA ALA A 61 -3.797 6.047 6.120 1.00 1.00 C ATOM 914 C ALA A 61 -3.049 5.915 7.447 1.00 1.00 C ATOM 915 O ALA A 61 -1.948 5.364 7.497 1.00 1.00 O ATOM 916 CB ALA A 61 -2.791 6.245 4.987 1.00 1.00 C ATOM 0 H ALA A 61 -4.425 7.993 5.653 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.367 5.133 5.951 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.094 5.407 4.969 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.320 6.297 4.036 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.240 7.172 5.147 1.00 1.00 H new ATOM 922 N GLN A 62 -3.652 6.425 8.514 1.00 1.00 N ATOM 923 CA GLN A 62 -3.039 6.361 9.842 1.00 1.00 C ATOM 924 C GLN A 62 -3.309 5.012 10.502 1.00 1.00 C ATOM 925 O GLN A 62 -2.499 4.522 11.288 1.00 1.00 O ATOM 926 CB GLN A 62 -3.591 7.486 10.721 1.00 1.00 C ATOM 927 CG GLN A 62 -2.974 8.820 10.296 1.00 1.00 C ATOM 928 CD GLN A 62 -1.506 8.868 10.706 1.00 1.00 C ATOM 929 OE1 GLN A 62 -1.178 8.627 11.868 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.598 9.164 9.817 1.00 1.00 N ATOM 0 H GLN A 62 -4.561 6.886 8.490 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.961 6.480 9.730 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.676 7.531 10.632 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.365 7.287 11.769 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.063 8.944 9.217 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.517 9.645 10.758 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.872 9.363 8.855 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.386 9.196 10.084 1.00 1.00 H new ATOM 939 N ASP A 63 -4.454 4.422 10.182 1.00 1.00 N ATOM 940 CA ASP A 63 -4.826 3.134 10.754 1.00 1.00 C ATOM 941 C ASP A 63 -4.118 1.996 10.026 1.00 1.00 C ATOM 942 O ASP A 63 -4.318 0.824 10.346 1.00 1.00 O ATOM 943 CB ASP A 63 -6.339 2.937 10.659 1.00 1.00 C ATOM 944 CG ASP A 63 -7.052 3.932 11.567 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.393 4.503 12.422 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.246 4.112 11.395 1.00 1.00 O ATOM 0 H ASP A 63 -5.138 4.812 9.533 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.522 3.124 11.801 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.668 3.072 9.629 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.600 1.918 10.946 1.00 1.00 H new ATOM 951 N ILE A 64 -3.292 2.346 9.043 1.00 1.00 N ATOM 952 CA ILE A 64 -2.560 1.345 8.271 1.00 1.00 C ATOM 953 C ILE A 64 -1.262 0.977 8.971 1.00 1.00 C ATOM 954 O ILE A 64 -0.447 1.843 9.295 1.00 1.00 O ATOM 955 CB ILE A 64 -2.236 1.897 6.886 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.535 2.336 6.208 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.545 0.826 6.040 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.523 1.172 6.075 1.00 1.00 C ATOM 0 H ILE A 64 -3.113 3.310 8.763 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.184 0.456 8.181 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.565 2.750 6.983 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.994 3.139 6.785 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.312 2.740 5.220 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.319 1.231 5.054 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.620 0.519 6.527 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.204 -0.036 5.935 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.434 1.522 5.589 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.073 0.380 5.476 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.765 0.786 7.065 1.00 1.00 H new ATOM 970 N SER A 65 -1.071 -0.320 9.196 1.00 1.00 N ATOM 971 CA SER A 65 0.135 -0.817 9.852 1.00 1.00 C ATOM 972 C SER A 65 0.702 -2.004 9.085 1.00 1.00 C ATOM 973 O SER A 65 1.866 -2.364 9.254 1.00 1.00 O ATOM 974 CB SER A 65 -0.184 -1.241 11.289 1.00 1.00 C ATOM 975 OG SER A 65 -1.045 -0.276 11.881 1.00 1.00 O ATOM 0 H SER A 65 -1.737 -1.047 8.933 1.00 1.00 H new ATOM 0 HA SER A 65 0.875 -0.017 9.869 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.659 -2.222 11.294 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.736 -1.329 11.868 1.00 1.00 H new ATOM 0 HG SER A 65 -1.253 -0.544 12.800 1.00 1.00 H new ATOM 981 N THR A 66 -0.127 -2.610 8.232 1.00 1.00 N ATOM 982 CA THR A 66 0.299 -3.762 7.437 1.00 1.00 C ATOM 983 C THR A 66 -0.217 -3.641 6.011 1.00 1.00 C ATOM 984 O THR A 66 -1.052 -2.789 5.711 1.00 1.00 O ATOM 985 CB THR A 66 -0.222 -5.059 8.061 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.621 -5.154 7.851 1.00 1.00 O ATOM 987 CG2 THR A 66 0.071 -5.058 9.563 1.00 1.00 C ATOM 0 H THR A 66 -1.093 -2.323 8.075 1.00 1.00 H new ATOM 0 HA THR A 66 1.389 -3.784 7.422 1.00 1.00 H new ATOM 0 HB THR A 66 0.274 -5.911 7.597 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.956 -5.985 8.249 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.300 -5.982 10.007 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.147 -4.985 9.724 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.424 -4.207 10.030 1.00 1.00 H new ATOM 995 N ILE A 67 0.288 -4.496 5.134 1.00 1.00 N ATOM 996 CA ILE A 67 -0.120 -4.469 3.737 1.00 1.00 C ATOM 997 C ILE A 67 -1.606 -4.753 3.609 1.00 1.00 C ATOM 998 O ILE A 67 -2.306 -4.087 2.852 1.00 1.00 O ATOM 999 CB ILE A 67 0.675 -5.508 2.938 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.195 -5.275 3.111 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.290 -5.437 1.456 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.696 -4.176 2.157 1.00 1.00 C ATOM 0 H ILE A 67 0.977 -5.213 5.363 1.00 1.00 H new ATOM 0 HA ILE A 67 0.082 -3.475 3.338 1.00 1.00 H new ATOM 0 HB ILE A 67 0.434 -6.501 3.317 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.408 -4.992 4.142 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.733 -6.203 2.917 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.860 -6.179 0.896 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.775 -5.640 1.347 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.512 -4.442 1.070 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.767 -4.032 2.299 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.503 -4.473 1.126 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.173 -3.244 2.370 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.085 -5.738 4.349 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.497 -6.084 4.295 1.00 1.00 C ATOM 1016 C GLN A 68 -4.359 -4.861 4.623 1.00 1.00 C ATOM 1017 O GLN A 68 -5.356 -4.597 3.951 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.781 -7.229 5.300 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.076 -8.531 4.557 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.446 -8.435 3.900 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.532 -8.396 2.603 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.464 -8.372 4.588 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.527 -6.306 4.986 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.748 -6.417 3.288 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.923 -7.365 5.958 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.628 -6.964 5.932 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.310 -8.715 3.803 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.050 -9.372 5.249 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.395 -8.403 5.605 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.377 -8.289 4.141 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.970 -4.124 5.656 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.723 -2.949 6.056 1.00 1.00 C ATOM 1033 C GLN A 69 -4.797 -1.961 4.901 1.00 1.00 C ATOM 1034 O GLN A 69 -5.839 -1.351 4.657 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.063 -2.290 7.271 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.148 -3.245 8.464 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.363 -2.680 9.636 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -2.162 -2.449 9.519 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.968 -2.447 10.765 1.00 1.00 N ATOM 0 H GLN A 69 -3.146 -4.319 6.225 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.734 -3.252 6.327 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.022 -2.054 7.052 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.561 -1.349 7.506 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.190 -3.392 8.750 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.752 -4.222 8.187 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.965 -2.640 10.859 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.445 -2.071 11.556 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.682 -1.805 4.190 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.633 -0.886 3.061 1.00 1.00 C ATOM 1050 C ALA A 70 -4.578 -1.351 1.959 1.00 1.00 C ATOM 1051 O ALA A 70 -5.253 -0.543 1.322 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.204 -0.806 2.515 1.00 1.00 C ATOM 0 H ALA A 70 -2.809 -2.299 4.375 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.945 0.101 3.401 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.175 -0.117 1.671 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.535 -0.449 3.298 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.884 -1.795 2.187 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.618 -2.663 1.739 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.485 -3.232 0.711 1.00 1.00 C ATOM 1060 C ALA A 71 -6.952 -3.088 1.100 1.00 1.00 C ATOM 1061 O ALA A 71 -7.809 -2.861 0.248 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.152 -4.708 0.497 1.00 1.00 C ATOM 0 H ALA A 71 -4.065 -3.347 2.255 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.314 -2.686 -0.217 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.805 -5.121 -0.272 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.113 -4.805 0.181 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.299 -5.253 1.429 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.232 -3.230 2.393 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.601 -3.120 2.890 1.00 1.00 C ATOM 1070 C ASP A 72 -9.163 -1.727 2.620 1.00 1.00 C ATOM 1071 O ASP A 72 -10.323 -1.574 2.243 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.632 -3.402 4.392 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.062 -3.300 4.912 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.930 -2.929 4.139 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.269 -3.592 6.079 1.00 1.00 O ATOM 0 H ASP A 72 -6.534 -3.420 3.112 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.217 -3.852 2.368 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.234 -4.397 4.592 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.994 -2.691 4.917 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.336 -0.713 2.827 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.765 0.660 2.595 1.00 1.00 C ATOM 1082 C VAL A 73 -8.869 0.945 1.099 1.00 1.00 C ATOM 1083 O VAL A 73 -9.828 1.564 0.638 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.779 1.633 3.235 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.178 3.070 2.892 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.804 1.445 4.751 1.00 1.00 C ATOM 0 H VAL A 73 -7.374 -0.812 3.152 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.748 0.793 3.047 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.776 1.439 2.856 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.472 3.763 3.350 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.166 3.203 1.810 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.180 3.270 3.271 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.102 2.137 5.215 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.809 1.642 5.126 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.520 0.421 4.995 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.863 0.502 0.347 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.847 0.730 -1.094 1.00 1.00 C ATOM 1098 C ILE A 74 -8.998 0.006 -1.786 1.00 1.00 C ATOM 1099 O ILE A 74 -9.823 0.633 -2.441 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.517 0.241 -1.687 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.380 1.152 -1.214 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.588 0.256 -3.222 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.034 0.512 -1.565 1.00 1.00 C ATOM 0 H ILE A 74 -7.058 -0.011 0.707 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.960 1.801 -1.261 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.329 -0.779 -1.351 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.464 2.131 -1.686 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.450 1.310 -0.138 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.641 -0.092 -3.633 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.392 -0.401 -3.555 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.782 1.271 -3.567 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.224 1.160 -1.229 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.952 -0.457 -1.072 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.966 0.377 -2.644 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.045 -1.310 -1.632 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.092 -2.100 -2.264 1.00 1.00 C ATOM 1117 C GLU A 75 -11.459 -1.475 -2.016 1.00 1.00 C ATOM 1118 O GLU A 75 -12.356 -1.574 -2.851 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.064 -3.530 -1.704 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.516 -3.519 -0.234 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.041 -3.536 -0.138 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.657 -4.230 -0.930 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.566 -2.861 0.733 1.00 1.00 O ATOM 0 H GLU A 75 -8.377 -1.849 -1.080 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.913 -2.124 -3.339 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.719 -4.174 -2.291 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.058 -3.942 -1.782 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.104 -4.385 0.285 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.125 -2.632 0.265 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.608 -0.826 -0.867 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.873 -0.188 -0.528 1.00 1.00 C ATOM 1132 C GLY A 76 -13.205 0.915 -1.527 1.00 1.00 C ATOM 1133 O GLY A 76 -14.351 1.051 -1.958 1.00 1.00 O ATOM 0 H GLY A 76 -10.877 -0.728 -0.162 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.670 -0.931 -0.521 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.817 0.230 0.477 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.196 1.699 -1.892 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.388 2.788 -2.844 1.00 1.00 C ATOM 1139 C LEU A 77 -12.770 2.245 -4.214 1.00 1.00 C ATOM 1140 O LEU A 77 -13.636 2.797 -4.891 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.110 3.618 -2.952 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.877 4.379 -1.635 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.478 5.003 -1.651 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.945 5.485 -1.441 1.00 1.00 C ATOM 0 H LEU A 77 -11.242 1.602 -1.545 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.199 3.421 -2.484 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.260 2.970 -3.165 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.190 4.321 -3.781 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.958 3.677 -0.805 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.310 5.543 -0.719 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.730 4.217 -1.755 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.397 5.694 -2.490 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.760 6.009 -0.503 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.891 6.192 -2.269 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.936 5.033 -1.414 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.116 1.164 -4.622 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.392 0.561 -5.916 1.00 1.00 C ATOM 1158 C LEU A 78 -13.847 0.107 -5.993 1.00 1.00 C ATOM 1159 O LEU A 78 -14.511 0.295 -7.012 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.454 -0.639 -6.132 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.096 -0.156 -6.642 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.526 0.883 -5.684 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.140 -1.344 -6.741 1.00 1.00 C ATOM 0 H LEU A 78 -11.395 0.691 -4.077 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.220 1.302 -6.697 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.327 -1.185 -5.197 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.895 -1.332 -6.848 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.218 0.295 -7.627 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.558 1.224 -6.051 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.209 1.730 -5.618 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.403 0.439 -4.696 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.171 -1.002 -7.104 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.019 -1.797 -5.757 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.547 -2.082 -7.432 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.336 -0.483 -4.914 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.714 -0.953 -4.877 1.00 1.00 C ATOM 1177 C GLU A 79 -16.678 0.223 -4.961 1.00 1.00 C ATOM 1178 O GLU A 79 -17.756 0.114 -5.544 1.00 1.00 O ATOM 1179 CB GLU A 79 -15.963 -1.735 -3.586 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.148 -3.031 -3.603 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.678 -3.971 -4.681 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.822 -3.803 -5.073 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.932 -4.837 -5.103 1.00 1.00 O ATOM 0 H GLU A 79 -13.806 -0.648 -4.058 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.883 -1.607 -5.732 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.684 -1.130 -2.723 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.024 -1.963 -3.486 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.098 -2.807 -3.790 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.202 -3.516 -2.628 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.285 1.344 -4.372 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.126 2.532 -4.382 1.00 1.00 C ATOM 1192 C LYS A 80 -17.110 3.201 -5.749 1.00 1.00 C ATOM 1193 O LYS A 80 -18.088 3.137 -6.491 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.634 3.521 -3.333 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.610 4.698 -3.238 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.202 5.631 -2.078 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.854 5.160 -0.772 1.00 1.00 C ATOM 1198 NZ LYS A 80 -19.324 5.381 -0.851 1.00 1.00 N ATOM 0 H LYS A 80 -15.396 1.455 -3.885 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.147 2.226 -4.155 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.549 3.027 -2.365 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.639 3.881 -3.596 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.616 5.252 -4.176 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.623 4.329 -3.079 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.117 5.638 -1.971 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.507 6.654 -2.298 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -17.641 4.104 -0.606 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.437 5.706 0.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -19.702 5.544 0.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -19.519 6.211 -1.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -19.779 4.543 -1.265 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.994 3.843 -6.078 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.870 4.521 -7.362 1.00 1.00 C ATOM 1214 C LYS A 81 -17.136 5.304 -7.690 1.00 1.00 C ATOM 1215 O LYS A 81 -18.012 5.476 -6.840 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.600 3.499 -8.466 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.176 2.942 -8.332 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.129 4.025 -8.690 1.00 1.00 C ATOM 1219 CE LYS A 81 -11.838 3.369 -9.169 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.056 2.801 -10.527 1.00 1.00 N ATOM 0 H LYS A 81 -15.170 3.908 -5.480 1.00 1.00 H new ATOM 0 HA LYS A 81 -15.036 5.221 -7.298 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.324 2.686 -8.405 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -15.726 3.966 -9.443 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.011 2.593 -7.313 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.054 2.080 -8.988 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -13.523 4.680 -9.467 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.928 4.649 -7.819 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -11.031 4.101 -9.193 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -11.536 2.583 -8.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.149 2.756 -11.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.454 1.844 -10.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -12.718 3.406 -11.054 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.220 5.782 -8.925 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.380 6.551 -9.353 1.00 1.00 C ATOM 1236 C ALA A 82 -18.579 7.765 -8.449 1.00 1.00 C ATOM 1237 O ALA A 82 -17.998 7.784 -7.376 1.00 1.00 O ATOM 1238 CB ALA A 82 -19.628 5.669 -9.315 1.00 1.00 C ATOM 1239 OXT ALA A 82 -19.308 8.659 -8.844 1.00 1.00 O ATOM 0 H ALA A 82 -16.506 5.652 -9.642 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.212 6.898 -10.373 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -20.493 6.249 -9.636 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -19.493 4.818 -9.983 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -19.789 5.310 -8.299 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.929 11.233 6.317 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.399 12.766 6.469 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.209 13.438 5.164 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.727 12.781 7.121 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.322 13.367 7.504 1.00 1.00 O HETATM 1251 C28 PNS A 101 5.941 13.057 7.364 1.00 1.00 C HETATM 1252 C29 PNS A 101 5.106 14.146 8.049 1.00 1.00 C HETATM 1253 C30 PNS A 101 5.340 15.490 7.365 1.00 1.00 C HETATM 1254 C31 PNS A 101 5.515 14.234 9.525 1.00 1.00 C HETATM 1255 C32 PNS A 101 3.624 13.810 7.945 1.00 1.00 C HETATM 1256 O33 PNS A 101 3.307 13.626 6.578 1.00 1.00 O HETATM 1257 C34 PNS A 101 3.324 12.528 8.722 1.00 1.00 C HETATM 1258 O35 PNS A 101 3.143 12.558 9.940 1.00 1.00 O HETATM 1259 N36 PNS A 101 3.280 11.404 8.013 1.00 1.00 N HETATM 1260 C37 PNS A 101 3.008 10.119 8.650 1.00 1.00 C HETATM 1261 C38 PNS A 101 4.265 9.596 9.350 1.00 1.00 C HETATM 1262 C39 PNS A 101 3.913 8.401 10.229 1.00 1.00 C HETATM 1263 O40 PNS A 101 2.879 7.762 10.040 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.782 8.103 11.191 1.00 1.00 N HETATM 1265 C42 PNS A 101 4.554 6.982 12.095 1.00 1.00 C HETATM 1266 C43 PNS A 101 4.961 5.668 11.423 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.628 5.099 10.373 1.00 1.00 S HETATM 0 H432 PNS A 101 5.866 5.813 10.833 1.00 1.00 H new HETATM 0 H431 PNS A 101 5.190 4.916 12.178 1.00 1.00 H new HETATM 0 H422 PNS A 101 3.502 6.943 12.379 1.00 1.00 H new HETATM 0 H421 PNS A 101 5.127 7.123 13.012 1.00 1.00 H new HETATM 0 H382 PNS A 101 4.709 10.386 9.956 1.00 1.00 H new HETATM 0 H381 PNS A 101 5.010 9.306 8.609 1.00 1.00 H new HETATM 0 H372 PNS A 101 2.673 9.399 7.903 1.00 1.00 H new HETATM 0 H371 PNS A 101 2.200 10.228 9.373 1.00 1.00 H new HETATM 0 H313 PNS A 101 4.926 15.006 10.020 1.00 1.00 H new HETATM 0 H312 PNS A 101 6.574 14.484 9.595 1.00 1.00 H new HETATM 0 H311 PNS A 101 5.336 13.274 10.010 1.00 1.00 H new HETATM 0 H303 PNS A 101 4.743 16.258 7.858 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.048 15.421 6.317 1.00 1.00 H new HETATM 0 H301 PNS A 101 6.396 15.753 7.431 1.00 1.00 H new HETATM 0 H282 PNS A 101 5.728 12.085 7.809 1.00 1.00 H new HETATM 0 H281 PNS A 101 5.677 12.990 6.309 1.00 1.00 H new HETATM 0 H41 PNS A 101 5.624 8.669 11.298 1.00 1.00 H new HETATM 0 H36 PNS A 101 3.439 11.440 7.006 1.00 1.00 H new HETATM 0 H33 PNS A 101 2.334 13.640 6.463 1.00 1.00 H new HETATM 0 H32 PNS A 101 3.026 14.619 8.366 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.715 3.437 9.865 1.00 1.00 C HETATM 1289 O1 DKA A 102 4.610 2.691 10.187 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.554 3.061 8.992 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.725 3.680 7.604 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.515 3.329 6.736 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.807 3.692 5.278 1.00 1.00 C HETATM 1294 C6 DKA A 102 0.685 3.159 4.388 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.880 3.678 2.963 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.054 2.923 2.012 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.516 3.227 2.371 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.422 2.881 1.186 1.00 1.00 C HETATM 0 H103 DKA A 102 -2.132 3.476 0.320 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.322 1.822 0.948 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.458 3.098 1.445 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.812 2.651 3.248 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.626 4.280 2.629 1.00 1.00 H new HETATM 0 H82 DKA A 102 0.146 3.217 0.982 1.00 1.00 H new HETATM 0 H81 DKA A 102 0.132 1.851 2.080 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.671 4.747 2.922 1.00 1.00 H new HETATM 0 H71 DKA A 102 1.917 3.544 2.654 1.00 1.00 H new HETATM 0 H62 DKA A 102 0.687 2.069 4.394 1.00 1.00 H new HETATM 0 H61 DKA A 102 -0.283 3.478 4.774 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.889 4.774 5.170 1.00 1.00 H new HETATM 0 H51 DKA A 102 2.763 3.268 4.970 1.00 1.00 H new HETATM 0 H42 DKA A 102 1.291 2.265 6.819 1.00 1.00 H new HETATM 0 H41 DKA A 102 0.635 3.868 7.086 1.00 1.00 H new HETATM 0 H32 DKA A 102 2.825 4.762 7.687 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.639 3.310 7.139 1.00 1.00 H new HETATM 0 H22 DKA A 102 2.486 1.976 8.910 1.00 1.00 H new HETATM 0 H21 DKA A 102 1.623 3.406 9.442 1.00 1.00 H new