USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 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 Single : A 1 ALA N :NH3+ 147:sc= 1.07 (180deg=0.435) USER MOD Single : A 2 LYS NZ :NH3+ -148:sc= -0.136 (180deg=-1.04) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.132) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.231) USER MOD Single : A 10 SER OG : rot 78:sc= -0.0251 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -3.66! (180deg=-4.12!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -171:sc= -0.702 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 -73:sc= -0.418 USER MOD Single : A 46 MET CE :methyl 160:sc= -0.133 (180deg=-1.35!) USER MOD Single : A 47 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.7) USER MOD Single : A 55 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.86) USER MOD Single : A 65 SER OG : rot 180:sc= -0.566 USER MOD Single : A 66 THR OG1 : rot 130:sc= -0.467 USER MOD Single : A 68 GLN :FLIP amide:sc= -3.23! C(o=-7.6!,f=-3.2!) USER MOD Single : A 69 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.95) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc=-0.00604 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.161 -7.995 1.781 1.00 1.00 N ATOM 2 CA ALA A 1 -8.936 -7.853 0.315 1.00 1.00 C ATOM 3 C ALA A 1 -8.513 -9.200 -0.263 1.00 1.00 C ATOM 4 O ALA A 1 -7.880 -10.005 0.415 1.00 1.00 O ATOM 5 CB ALA A 1 -7.844 -6.809 0.069 1.00 1.00 C ATOM 0 H1 ALA A 1 -8.900 -7.110 2.260 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.164 -8.202 1.960 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.576 -8.773 2.148 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.856 -7.529 -0.172 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.677 -6.703 -1.003 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.156 -5.851 0.484 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -6.920 -7.129 0.550 1.00 1.00 H new ATOM 13 N LYS A 2 -8.867 -9.435 -1.521 1.00 1.00 N ATOM 14 CA LYS A 2 -8.519 -10.690 -2.179 1.00 1.00 C ATOM 15 C LYS A 2 -7.002 -10.822 -2.288 1.00 1.00 C ATOM 16 O LYS A 2 -6.292 -9.835 -2.463 1.00 1.00 O ATOM 17 CB LYS A 2 -9.141 -10.738 -3.584 1.00 1.00 C ATOM 18 CG LYS A 2 -9.137 -9.319 -4.192 1.00 1.00 C ATOM 19 CD LYS A 2 -10.481 -8.624 -3.905 1.00 1.00 C ATOM 20 CE LYS A 2 -11.489 -8.997 -4.995 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.032 -8.438 -6.298 1.00 1.00 N ATOM 0 H LYS A 2 -9.390 -8.780 -2.102 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.909 -11.516 -1.584 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.578 -11.420 -4.221 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.160 -11.120 -3.530 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.318 -8.735 -3.771 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.968 -9.375 -5.267 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.857 -8.925 -2.928 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.345 -7.543 -3.875 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.584 -10.081 -5.064 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.475 -8.606 -4.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.859 -8.194 -6.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.463 -7.584 -6.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.455 -9.145 -6.796 1.00 1.00 H new ATOM 35 N LYS A 3 -6.524 -12.047 -2.201 1.00 1.00 N ATOM 36 CA LYS A 3 -5.095 -12.313 -2.303 1.00 1.00 C ATOM 37 C LYS A 3 -4.519 -11.676 -3.566 1.00 1.00 C ATOM 38 O LYS A 3 -3.308 -11.498 -3.684 1.00 1.00 O ATOM 39 CB LYS A 3 -4.844 -13.833 -2.323 1.00 1.00 C ATOM 40 CG LYS A 3 -6.056 -14.559 -2.915 1.00 1.00 C ATOM 41 CD LYS A 3 -6.343 -14.021 -4.326 1.00 1.00 C ATOM 42 CE LYS A 3 -7.068 -15.081 -5.144 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.373 -15.394 -4.500 1.00 1.00 N ATOM 0 H LYS A 3 -7.100 -12.877 -2.060 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.599 -11.877 -1.436 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.954 -14.055 -2.912 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.654 -14.191 -1.311 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -5.866 -15.631 -2.956 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -6.927 -14.414 -2.276 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.950 -13.118 -4.264 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.410 -13.745 -4.817 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.228 -14.725 -6.162 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -6.459 -15.982 -5.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.949 -15.972 -5.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.208 -15.920 -3.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.876 -14.509 -4.286 1.00 1.00 H new ATOM 57 N GLU A 4 -5.394 -11.357 -4.511 1.00 1.00 N ATOM 58 CA GLU A 4 -4.962 -10.756 -5.763 1.00 1.00 C ATOM 59 C GLU A 4 -4.601 -9.291 -5.554 1.00 1.00 C ATOM 60 O GLU A 4 -3.555 -8.832 -6.001 1.00 1.00 O ATOM 61 CB GLU A 4 -6.071 -10.865 -6.812 1.00 1.00 C ATOM 62 CG GLU A 4 -5.559 -10.341 -8.156 1.00 1.00 C ATOM 63 CD GLU A 4 -6.630 -10.518 -9.227 1.00 1.00 C ATOM 64 OE1 GLU A 4 -7.770 -10.177 -8.958 1.00 1.00 O ATOM 65 OE2 GLU A 4 -6.295 -10.994 -10.298 1.00 1.00 O ATOM 0 H GLU A 4 -6.400 -11.504 -4.434 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.080 -11.292 -6.114 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.390 -11.902 -6.912 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.943 -10.293 -6.495 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.292 -9.288 -8.067 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.654 -10.876 -8.443 1.00 1.00 H new ATOM 72 N THR A 5 -5.474 -8.567 -4.863 1.00 1.00 N ATOM 73 CA THR A 5 -5.242 -7.151 -4.594 1.00 1.00 C ATOM 74 C THR A 5 -3.956 -6.960 -3.801 1.00 1.00 C ATOM 75 O THR A 5 -3.174 -6.052 -4.075 1.00 1.00 O ATOM 76 CB THR A 5 -6.420 -6.567 -3.812 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.599 -6.642 -4.604 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.129 -5.107 -3.460 1.00 1.00 C ATOM 0 H THR A 5 -6.345 -8.934 -4.480 1.00 1.00 H new ATOM 0 HA THR A 5 -5.147 -6.631 -5.547 1.00 1.00 H new ATOM 0 HB THR A 5 -6.564 -7.137 -2.894 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.354 -6.270 -4.103 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.969 -4.693 -2.903 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.227 -5.053 -2.850 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.983 -4.534 -4.376 1.00 1.00 H new ATOM 86 N ILE A 6 -3.745 -7.822 -2.814 1.00 1.00 N ATOM 87 CA ILE A 6 -2.553 -7.736 -1.980 1.00 1.00 C ATOM 88 C ILE A 6 -1.297 -7.847 -2.838 1.00 1.00 C ATOM 89 O ILE A 6 -0.309 -7.153 -2.599 1.00 1.00 O ATOM 90 CB ILE A 6 -2.559 -8.860 -0.942 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.886 -8.838 -0.178 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.404 -8.655 0.044 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.929 -10.011 0.808 1.00 1.00 C ATOM 0 H ILE A 6 -4.379 -8.584 -2.573 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.555 -6.772 -1.472 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.441 -9.819 -1.446 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.994 -7.895 0.358 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.721 -8.905 -0.876 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.410 -9.456 0.783 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.458 -8.667 -0.497 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.522 -7.696 0.548 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.874 -9.995 1.352 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -3.841 -10.950 0.261 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.103 -9.924 1.514 1.00 1.00 H new ATOM 105 N ASP A 7 -1.333 -8.737 -3.822 1.00 1.00 N ATOM 106 CA ASP A 7 -0.185 -8.938 -4.693 1.00 1.00 C ATOM 107 C ASP A 7 0.163 -7.655 -5.435 1.00 1.00 C ATOM 108 O ASP A 7 1.328 -7.294 -5.550 1.00 1.00 O ATOM 109 CB ASP A 7 -0.487 -10.049 -5.706 1.00 1.00 C ATOM 110 CG ASP A 7 -0.485 -11.406 -5.011 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.007 -11.478 -3.892 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.962 -12.356 -5.611 1.00 1.00 O ATOM 0 H ASP A 7 -2.138 -9.326 -4.035 1.00 1.00 H new ATOM 0 HA ASP A 7 0.666 -9.226 -4.076 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.456 -9.872 -6.173 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.257 -10.038 -6.502 1.00 1.00 H new ATOM 117 N LYS A 8 -0.858 -6.975 -5.948 1.00 1.00 N ATOM 118 CA LYS A 8 -0.636 -5.745 -6.695 1.00 1.00 C ATOM 119 C LYS A 8 0.019 -4.687 -5.818 1.00 1.00 C ATOM 120 O LYS A 8 1.017 -4.078 -6.201 1.00 1.00 O ATOM 121 CB LYS A 8 -1.968 -5.212 -7.219 1.00 1.00 C ATOM 122 CG LYS A 8 -2.752 -6.352 -7.892 1.00 1.00 C ATOM 123 CD LYS A 8 -3.661 -5.782 -8.983 1.00 1.00 C ATOM 124 CE LYS A 8 -4.549 -4.689 -8.387 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.688 -4.420 -9.309 1.00 1.00 N ATOM 0 H LYS A 8 -1.836 -7.252 -5.861 1.00 1.00 H new ATOM 0 HA LYS A 8 0.029 -5.968 -7.530 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.550 -4.791 -6.399 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.793 -4.407 -7.932 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.061 -7.076 -8.323 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.348 -6.883 -7.150 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.060 -5.374 -9.796 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.277 -6.574 -9.409 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.922 -5.000 -7.411 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.970 -3.779 -8.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.893 -3.400 -9.319 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.439 -4.733 -10.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -6.528 -4.939 -8.983 1.00 1.00 H new ATOM 139 N VAL A 9 -0.544 -4.479 -4.633 1.00 1.00 N ATOM 140 CA VAL A 9 -0.003 -3.498 -3.705 1.00 1.00 C ATOM 141 C VAL A 9 1.377 -3.929 -3.218 1.00 1.00 C ATOM 142 O VAL A 9 2.307 -3.131 -3.181 1.00 1.00 O ATOM 143 CB VAL A 9 -0.942 -3.337 -2.507 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.335 -2.350 -1.507 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.296 -2.811 -2.985 1.00 1.00 C ATOM 0 H VAL A 9 -1.370 -4.974 -4.295 1.00 1.00 H new ATOM 0 HA VAL A 9 0.087 -2.544 -4.225 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.078 -4.304 -2.023 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.005 -2.237 -0.655 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.628 -2.726 -1.163 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.195 -1.383 -1.990 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.964 -2.697 -2.131 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.160 -1.845 -3.471 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.731 -3.516 -3.694 1.00 1.00 H new ATOM 155 N SER A 10 1.500 -5.195 -2.841 1.00 1.00 N ATOM 156 CA SER A 10 2.769 -5.715 -2.345 1.00 1.00 C ATOM 157 C SER A 10 3.847 -5.614 -3.420 1.00 1.00 C ATOM 158 O SER A 10 4.993 -5.271 -3.133 1.00 1.00 O ATOM 159 CB SER A 10 2.602 -7.174 -1.925 1.00 1.00 C ATOM 160 OG SER A 10 1.496 -7.292 -1.047 1.00 1.00 O ATOM 0 H SER A 10 0.742 -5.877 -2.868 1.00 1.00 H new ATOM 0 HA SER A 10 3.074 -5.120 -1.484 1.00 1.00 H new ATOM 0 HB2 SER A 10 2.450 -7.801 -2.804 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.509 -7.528 -1.434 1.00 1.00 H new ATOM 0 HG SER A 10 0.664 -7.264 -1.564 1.00 1.00 H new ATOM 166 N ASP A 11 3.468 -5.913 -4.659 1.00 1.00 N ATOM 167 CA ASP A 11 4.413 -5.852 -5.769 1.00 1.00 C ATOM 168 C ASP A 11 4.971 -4.444 -5.920 1.00 1.00 C ATOM 169 O ASP A 11 6.166 -4.251 -6.096 1.00 1.00 O ATOM 170 CB ASP A 11 3.720 -6.264 -7.066 1.00 1.00 C ATOM 171 CG ASP A 11 4.750 -6.466 -8.170 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.906 -6.678 -7.844 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.370 -6.404 -9.328 1.00 1.00 O ATOM 0 H ASP A 11 2.523 -6.197 -4.918 1.00 1.00 H new ATOM 0 HA ASP A 11 5.234 -6.537 -5.559 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.158 -7.185 -6.910 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.003 -5.499 -7.363 1.00 1.00 H new ATOM 178 N ILE A 12 4.092 -3.455 -5.865 1.00 1.00 N ATOM 179 CA ILE A 12 4.517 -2.070 -5.995 1.00 1.00 C ATOM 180 C ILE A 12 5.278 -1.621 -4.756 1.00 1.00 C ATOM 181 O ILE A 12 6.286 -0.933 -4.850 1.00 1.00 O ATOM 182 CB ILE A 12 3.296 -1.170 -6.192 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.515 -1.635 -7.433 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.750 0.280 -6.390 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.078 -1.114 -7.364 1.00 1.00 C ATOM 0 H ILE A 12 3.089 -3.584 -5.732 1.00 1.00 H new ATOM 0 HA ILE A 12 5.176 -1.993 -6.860 1.00 1.00 H new ATOM 0 HB ILE A 12 2.656 -1.231 -5.312 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.001 -1.270 -8.338 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.515 -2.724 -7.488 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.878 0.918 -6.530 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.305 0.611 -5.512 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.391 0.344 -7.269 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.528 -1.445 -8.245 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.594 -1.500 -6.467 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.087 -0.025 -7.331 1.00 1.00 H new ATOM 197 N VAL A 13 4.762 -1.989 -3.587 1.00 1.00 N ATOM 198 CA VAL A 13 5.388 -1.575 -2.333 1.00 1.00 C ATOM 199 C VAL A 13 6.794 -2.145 -2.203 1.00 1.00 C ATOM 200 O VAL A 13 7.741 -1.421 -1.912 1.00 1.00 O ATOM 201 CB VAL A 13 4.534 -2.053 -1.151 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.286 -1.808 0.162 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.209 -1.284 -1.132 1.00 1.00 C ATOM 0 H VAL A 13 3.926 -2.564 -3.480 1.00 1.00 H new ATOM 0 HA VAL A 13 5.457 -0.487 -2.330 1.00 1.00 H new ATOM 0 HB VAL A 13 4.334 -3.119 -1.259 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.677 -2.149 0.999 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.227 -2.358 0.151 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.490 -0.743 0.271 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.603 -1.624 -0.292 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.409 -0.218 -1.027 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.671 -1.463 -2.063 1.00 1.00 H new ATOM 213 N LYS A 14 6.920 -3.450 -2.405 1.00 1.00 N ATOM 214 CA LYS A 14 8.213 -4.107 -2.283 1.00 1.00 C ATOM 215 C LYS A 14 9.190 -3.569 -3.320 1.00 1.00 C ATOM 216 O LYS A 14 10.395 -3.497 -3.077 1.00 1.00 O ATOM 217 CB LYS A 14 8.045 -5.616 -2.454 1.00 1.00 C ATOM 218 CG LYS A 14 7.781 -5.942 -3.925 1.00 1.00 C ATOM 219 CD LYS A 14 7.267 -7.374 -4.055 1.00 1.00 C ATOM 220 CE LYS A 14 8.245 -8.330 -3.376 1.00 1.00 C ATOM 221 NZ LYS A 14 7.962 -9.723 -3.810 1.00 1.00 N ATOM 0 H LYS A 14 6.149 -4.070 -2.652 1.00 1.00 H new ATOM 0 HA LYS A 14 8.616 -3.900 -1.292 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.942 -6.132 -2.112 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.219 -5.972 -1.839 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.050 -5.245 -4.336 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.697 -5.821 -4.504 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.281 -7.461 -3.598 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.155 -7.638 -5.107 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.270 -8.060 -3.631 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.155 -8.250 -2.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.629 -10.373 -3.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.989 -9.978 -3.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.070 -9.794 -4.842 1.00 1.00 H new ATOM 235 N GLU A 15 8.663 -3.211 -4.487 1.00 1.00 N ATOM 236 CA GLU A 15 9.495 -2.689 -5.561 1.00 1.00 C ATOM 237 C GLU A 15 10.066 -1.326 -5.194 1.00 1.00 C ATOM 238 O GLU A 15 11.230 -1.034 -5.457 1.00 1.00 O ATOM 239 CB GLU A 15 8.677 -2.587 -6.853 1.00 1.00 C ATOM 240 CG GLU A 15 8.597 -3.962 -7.524 1.00 1.00 C ATOM 241 CD GLU A 15 7.573 -3.929 -8.653 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.089 -2.851 -8.956 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.291 -4.982 -9.201 1.00 1.00 O ATOM 0 H GLU A 15 7.670 -3.273 -4.710 1.00 1.00 H new ATOM 0 HA GLU A 15 10.327 -3.376 -5.716 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.674 -2.221 -6.632 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.137 -1.867 -7.530 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.575 -4.243 -7.916 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.318 -4.719 -6.791 1.00 1.00 H new ATOM 250 N LYS A 16 9.227 -0.485 -4.608 1.00 1.00 N ATOM 251 CA LYS A 16 9.649 0.847 -4.217 1.00 1.00 C ATOM 252 C LYS A 16 10.601 0.800 -3.038 1.00 1.00 C ATOM 253 O LYS A 16 11.504 1.630 -2.922 1.00 1.00 O ATOM 254 CB LYS A 16 8.434 1.693 -3.863 1.00 1.00 C ATOM 255 CG LYS A 16 7.569 1.933 -5.124 1.00 1.00 C ATOM 256 CD LYS A 16 7.043 3.370 -5.136 1.00 1.00 C ATOM 257 CE LYS A 16 8.079 4.291 -5.787 1.00 1.00 C ATOM 258 NZ LYS A 16 9.452 3.809 -5.458 1.00 1.00 N ATOM 0 H LYS A 16 8.254 -0.702 -4.394 1.00 1.00 H new ATOM 0 HA LYS A 16 10.174 1.295 -5.061 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.843 1.192 -3.097 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.755 2.647 -3.445 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.160 1.746 -6.021 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.734 1.232 -5.141 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.102 3.419 -5.685 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.836 3.701 -4.118 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.938 4.308 -6.868 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.946 5.313 -5.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 10.146 4.542 -5.706 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.514 3.604 -4.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.655 2.944 -5.998 1.00 1.00 H new ATOM 272 N LEU A 17 10.364 -0.145 -2.138 1.00 1.00 N ATOM 273 CA LEU A 17 11.184 -0.269 -0.935 1.00 1.00 C ATOM 274 C LEU A 17 12.353 -1.208 -1.170 1.00 1.00 C ATOM 275 O LEU A 17 13.185 -1.401 -0.284 1.00 1.00 O ATOM 276 CB LEU A 17 10.323 -0.786 0.222 1.00 1.00 C ATOM 277 CG LEU A 17 9.126 0.149 0.435 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.243 -0.403 1.558 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.617 1.552 0.813 1.00 1.00 C ATOM 0 H LEU A 17 9.616 -0.834 -2.215 1.00 1.00 H new ATOM 0 HA LEU A 17 11.582 0.714 -0.683 1.00 1.00 H new ATOM 0 HB2 LEU A 17 9.974 -1.796 0.005 1.00 1.00 H new ATOM 0 HB3 LEU A 17 10.918 -0.844 1.133 1.00 1.00 H new ATOM 0 HG LEU A 17 8.550 0.210 -0.489 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.392 0.260 1.711 1.00 1.00 H new ATOM 0 HD12 LEU A 17 7.885 -1.396 1.285 1.00 1.00 H new ATOM 0 HD13 LEU A 17 8.823 -0.467 2.479 1.00 1.00 H new ATOM 0 HD21 LEU A 17 8.760 2.209 0.962 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.198 1.498 1.734 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.242 1.947 0.012 1.00 1.00 H new ATOM 291 N ALA A 18 12.413 -1.786 -2.363 1.00 1.00 N ATOM 292 CA ALA A 18 13.495 -2.707 -2.704 1.00 1.00 C ATOM 293 C ALA A 18 13.251 -3.333 -4.066 1.00 1.00 C ATOM 294 O ALA A 18 12.298 -2.993 -4.749 1.00 1.00 O ATOM 295 CB ALA A 18 13.590 -3.809 -1.641 1.00 1.00 C ATOM 0 H ALA A 18 11.732 -1.636 -3.107 1.00 1.00 H new ATOM 0 HA ALA A 18 14.431 -2.149 -2.737 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.398 -4.494 -1.898 1.00 1.00 H new ATOM 0 HB2 ALA A 18 13.791 -3.360 -0.668 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.649 -4.357 -1.600 1.00 1.00 H new ATOM 301 N LEU A 19 14.128 -4.247 -4.455 1.00 1.00 N ATOM 302 CA LEU A 19 13.999 -4.919 -5.744 1.00 1.00 C ATOM 303 C LEU A 19 13.027 -6.079 -5.649 1.00 1.00 C ATOM 304 O LEU A 19 12.458 -6.506 -6.654 1.00 1.00 O ATOM 305 CB LEU A 19 15.374 -5.426 -6.201 1.00 1.00 C ATOM 306 CG LEU A 19 16.188 -4.256 -6.770 1.00 1.00 C ATOM 307 CD1 LEU A 19 15.582 -3.791 -8.112 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.183 -3.092 -5.769 1.00 1.00 C ATOM 0 H LEU A 19 14.933 -4.541 -3.902 1.00 1.00 H new ATOM 0 HA LEU A 19 13.613 -4.206 -6.472 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.904 -5.878 -5.362 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.254 -6.202 -6.957 1.00 1.00 H new ATOM 0 HG LEU A 19 17.213 -4.585 -6.940 1.00 1.00 H new ATOM 0 HD11 LEU A 19 16.167 -2.961 -8.507 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.597 -4.617 -8.824 1.00 1.00 H new ATOM 0 HD13 LEU A 19 14.553 -3.467 -7.954 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.761 -2.261 -6.174 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.157 -2.768 -5.593 1.00 1.00 H new ATOM 0 HD23 LEU A 19 16.627 -3.419 -4.829 1.00 1.00 H new ATOM 320 N GLY A 20 12.837 -6.585 -4.437 1.00 1.00 N ATOM 321 CA GLY A 20 11.923 -7.699 -4.221 1.00 1.00 C ATOM 322 C GLY A 20 12.641 -9.034 -4.372 1.00 1.00 C ATOM 323 O GLY A 20 12.058 -10.093 -4.135 1.00 1.00 O ATOM 0 H GLY A 20 13.300 -6.245 -3.594 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.487 -7.628 -3.225 1.00 1.00 H new ATOM 0 HA3 GLY A 20 11.100 -7.642 -4.934 1.00 1.00 H new ATOM 327 N ALA A 21 13.907 -8.979 -4.770 1.00 1.00 N ATOM 328 CA ALA A 21 14.692 -10.192 -4.950 1.00 1.00 C ATOM 329 C ALA A 21 15.089 -10.780 -3.602 1.00 1.00 C ATOM 330 O ALA A 21 14.817 -11.946 -3.319 1.00 1.00 O ATOM 331 CB ALA A 21 15.952 -9.882 -5.763 1.00 1.00 C ATOM 0 H ALA A 21 14.408 -8.114 -4.973 1.00 1.00 H new ATOM 0 HA ALA A 21 14.082 -10.920 -5.485 1.00 1.00 H new ATOM 0 HB1 ALA A 21 16.534 -10.794 -5.894 1.00 1.00 H new ATOM 0 HB2 ALA A 21 15.668 -9.490 -6.740 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.552 -9.141 -5.235 1.00 1.00 H new ATOM 337 N ASP A 22 15.740 -9.969 -2.775 1.00 1.00 N ATOM 338 CA ASP A 22 16.180 -10.419 -1.455 1.00 1.00 C ATOM 339 C ASP A 22 15.236 -9.916 -0.377 1.00 1.00 C ATOM 340 O ASP A 22 15.548 -9.983 0.810 1.00 1.00 O ATOM 341 CB ASP A 22 17.594 -9.911 -1.176 1.00 1.00 C ATOM 342 CG ASP A 22 18.586 -10.598 -2.108 1.00 1.00 C ATOM 343 OD1 ASP A 22 18.225 -11.612 -2.682 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.693 -10.102 -2.232 1.00 1.00 O ATOM 0 H ASP A 22 15.975 -9.000 -2.992 1.00 1.00 H new ATOM 0 HA ASP A 22 16.177 -11.509 -1.444 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.636 -8.831 -1.318 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.862 -10.107 -0.138 1.00 1.00 H new ATOM 349 N VAL A 23 14.081 -9.399 -0.793 1.00 1.00 N ATOM 350 CA VAL A 23 13.095 -8.874 0.154 1.00 1.00 C ATOM 351 C VAL A 23 11.794 -9.651 0.041 1.00 1.00 C ATOM 352 O VAL A 23 11.297 -9.891 -1.058 1.00 1.00 O ATOM 353 CB VAL A 23 12.838 -7.392 -0.132 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.674 -6.899 0.731 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.097 -6.581 0.192 1.00 1.00 C ATOM 0 H VAL A 23 13.805 -9.332 -1.773 1.00 1.00 H new ATOM 0 HA VAL A 23 13.486 -8.983 1.166 1.00 1.00 H new ATOM 0 HB VAL A 23 12.587 -7.264 -1.185 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.491 -5.844 0.527 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.778 -7.474 0.497 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.922 -7.027 1.785 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.913 -5.526 -0.012 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.351 -6.708 1.244 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.924 -6.931 -0.426 1.00 1.00 H new ATOM 365 N VAL A 24 11.242 -10.035 1.189 1.00 1.00 N ATOM 366 CA VAL A 24 9.986 -10.784 1.216 1.00 1.00 C ATOM 367 C VAL A 24 8.898 -9.955 1.887 1.00 1.00 C ATOM 368 O VAL A 24 9.086 -9.437 2.985 1.00 1.00 O ATOM 369 CB VAL A 24 10.179 -12.093 1.980 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.819 -12.766 2.195 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.085 -13.022 1.171 1.00 1.00 C ATOM 0 H VAL A 24 11.640 -9.842 2.108 1.00 1.00 H new ATOM 0 HA VAL A 24 9.685 -11.006 0.192 1.00 1.00 H new ATOM 0 HB VAL A 24 10.637 -11.886 2.947 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.957 -13.700 2.740 1.00 1.00 H new ATOM 0 HG12 VAL A 24 8.172 -12.103 2.769 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.359 -12.974 1.229 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.225 -13.957 1.713 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.625 -13.228 0.205 1.00 1.00 H new ATOM 0 HG23 VAL A 24 12.052 -12.544 1.017 1.00 1.00 H new ATOM 381 N VAL A 25 7.755 -9.838 1.214 1.00 1.00 N ATOM 382 CA VAL A 25 6.629 -9.070 1.744 1.00 1.00 C ATOM 383 C VAL A 25 5.428 -9.974 1.985 1.00 1.00 C ATOM 384 O VAL A 25 5.138 -10.867 1.189 1.00 1.00 O ATOM 385 CB VAL A 25 6.247 -7.965 0.763 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.874 -8.586 -0.584 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.049 -7.189 1.315 1.00 1.00 C ATOM 0 H VAL A 25 7.584 -10.264 0.303 1.00 1.00 H new ATOM 0 HA VAL A 25 6.931 -8.627 2.693 1.00 1.00 H new ATOM 0 HB VAL A 25 7.091 -7.288 0.630 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.601 -7.797 -1.285 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.725 -9.142 -0.977 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.029 -9.262 -0.452 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.774 -6.399 0.616 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.206 -7.867 1.446 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.313 -6.748 2.276 1.00 1.00 H new ATOM 397 N THR A 26 4.730 -9.738 3.091 1.00 1.00 N ATOM 398 CA THR A 26 3.549 -10.531 3.433 1.00 1.00 C ATOM 399 C THR A 26 2.453 -9.642 4.016 1.00 1.00 C ATOM 400 O THR A 26 2.715 -8.533 4.472 1.00 1.00 O ATOM 401 CB THR A 26 3.934 -11.621 4.444 1.00 1.00 C ATOM 402 OG1 THR A 26 4.915 -11.111 5.339 1.00 1.00 O ATOM 403 CG2 THR A 26 4.492 -12.836 3.706 1.00 1.00 C ATOM 0 H THR A 26 4.958 -9.007 3.765 1.00 1.00 H new ATOM 0 HA THR A 26 3.166 -10.998 2.525 1.00 1.00 H new ATOM 0 HB THR A 26 3.050 -11.921 5.007 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.160 -11.805 5.986 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.764 -13.607 4.427 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.736 -13.227 3.025 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.375 -12.543 3.138 1.00 1.00 H new ATOM 411 N ALA A 27 1.225 -10.145 4.010 1.00 1.00 N ATOM 412 CA ALA A 27 0.103 -9.399 4.546 1.00 1.00 C ATOM 413 C ALA A 27 0.345 -9.054 6.012 1.00 1.00 C ATOM 414 O ALA A 27 -0.228 -8.102 6.538 1.00 1.00 O ATOM 415 CB ALA A 27 -1.179 -10.228 4.410 1.00 1.00 C ATOM 0 H ALA A 27 0.985 -11.065 3.640 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.004 -8.471 3.984 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.021 -9.665 4.814 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.360 -10.448 3.358 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.069 -11.162 4.962 1.00 1.00 H new ATOM 421 N ASP A 28 1.178 -9.849 6.670 1.00 1.00 N ATOM 422 CA ASP A 28 1.475 -9.627 8.084 1.00 1.00 C ATOM 423 C ASP A 28 2.643 -8.660 8.240 1.00 1.00 C ATOM 424 O ASP A 28 2.834 -8.069 9.303 1.00 1.00 O ATOM 425 CB ASP A 28 1.819 -10.957 8.761 1.00 1.00 C ATOM 426 CG ASP A 28 1.830 -10.782 10.276 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.779 -9.647 10.722 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.887 -11.785 10.968 1.00 1.00 O ATOM 0 H ASP A 28 1.658 -10.647 6.254 1.00 1.00 H new ATOM 0 HA ASP A 28 0.593 -9.195 8.557 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.090 -11.717 8.480 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.793 -11.307 8.420 1.00 1.00 H new ATOM 433 N SER A 29 3.425 -8.501 7.173 1.00 1.00 N ATOM 434 CA SER A 29 4.572 -7.606 7.206 1.00 1.00 C ATOM 435 C SER A 29 4.118 -6.154 7.222 1.00 1.00 C ATOM 436 O SER A 29 3.187 -5.777 6.508 1.00 1.00 O ATOM 437 CB SER A 29 5.460 -7.855 5.987 1.00 1.00 C ATOM 438 OG SER A 29 6.386 -6.790 5.862 1.00 1.00 O ATOM 0 H SER A 29 3.284 -8.978 6.283 1.00 1.00 H new ATOM 0 HA SER A 29 5.140 -7.804 8.115 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.989 -8.802 6.094 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.850 -7.930 5.087 1.00 1.00 H new ATOM 0 HG SER A 29 6.861 -6.868 5.009 1.00 1.00 H new ATOM 444 N GLU A 30 4.784 -5.336 8.034 1.00 1.00 N ATOM 445 CA GLU A 30 4.440 -3.921 8.131 1.00 1.00 C ATOM 446 C GLU A 30 5.190 -3.110 7.082 1.00 1.00 C ATOM 447 O GLU A 30 6.131 -3.591 6.471 1.00 1.00 O ATOM 448 CB GLU A 30 4.783 -3.398 9.526 1.00 1.00 C ATOM 449 CG GLU A 30 3.844 -4.032 10.554 1.00 1.00 C ATOM 450 CD GLU A 30 4.247 -3.605 11.961 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.205 -2.858 12.081 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.596 -4.033 12.899 1.00 1.00 O ATOM 0 H GLU A 30 5.559 -5.627 8.630 1.00 1.00 H new ATOM 0 HA GLU A 30 3.370 -3.814 7.954 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.819 -3.634 9.770 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.689 -2.312 9.552 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.816 -3.731 10.354 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.880 -5.118 10.470 1.00 1.00 H new ATOM 459 N PHE A 31 4.766 -1.876 6.877 1.00 1.00 N ATOM 460 CA PHE A 31 5.424 -1.000 5.913 1.00 1.00 C ATOM 461 C PHE A 31 6.789 -0.559 6.429 1.00 1.00 C ATOM 462 O PHE A 31 7.734 -0.395 5.659 1.00 1.00 O ATOM 463 CB PHE A 31 4.550 0.224 5.634 1.00 1.00 C ATOM 464 CG PHE A 31 3.391 -0.170 4.751 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.576 -0.272 3.368 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.139 -0.441 5.310 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.505 -0.637 2.546 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.070 -0.806 4.486 1.00 1.00 C ATOM 469 CZ PHE A 31 1.253 -0.906 3.104 1.00 1.00 C ATOM 0 H PHE A 31 3.973 -1.455 7.361 1.00 1.00 H new ATOM 0 HA PHE A 31 5.568 -1.555 4.986 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.181 0.641 6.571 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.140 1.002 5.150 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.545 -0.069 2.936 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.997 -0.368 6.378 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.646 -0.711 1.478 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.102 -1.011 4.918 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.428 -1.191 2.468 1.00 1.00 H new ATOM 479 N SER A 32 6.871 -0.332 7.737 1.00 1.00 N ATOM 480 CA SER A 32 8.117 0.118 8.345 1.00 1.00 C ATOM 481 C SER A 32 9.200 -0.948 8.239 1.00 1.00 C ATOM 482 O SER A 32 10.356 -0.647 7.947 1.00 1.00 O ATOM 483 CB SER A 32 7.885 0.461 9.819 1.00 1.00 C ATOM 484 OG SER A 32 6.834 1.413 9.920 1.00 1.00 O ATOM 0 H SER A 32 6.097 -0.451 8.390 1.00 1.00 H new ATOM 0 HA SER A 32 8.451 1.005 7.807 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.631 -0.439 10.378 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.798 0.862 10.259 1.00 1.00 H new ATOM 0 HG SER A 32 6.682 1.633 10.863 1.00 1.00 H new ATOM 490 N LYS A 33 8.821 -2.192 8.497 1.00 1.00 N ATOM 491 CA LYS A 33 9.774 -3.290 8.453 1.00 1.00 C ATOM 492 C LYS A 33 10.340 -3.456 7.042 1.00 1.00 C ATOM 493 O LYS A 33 11.391 -4.070 6.848 1.00 1.00 O ATOM 494 CB LYS A 33 9.084 -4.587 8.909 1.00 1.00 C ATOM 495 CG LYS A 33 8.238 -5.172 7.755 1.00 1.00 C ATOM 496 CD LYS A 33 9.018 -6.297 7.056 1.00 1.00 C ATOM 497 CE LYS A 33 8.814 -7.598 7.829 1.00 1.00 C ATOM 498 NZ LYS A 33 9.534 -8.697 7.141 1.00 1.00 N ATOM 0 H LYS A 33 7.868 -2.464 8.737 1.00 1.00 H new ATOM 0 HA LYS A 33 10.602 -3.068 9.126 1.00 1.00 H new ATOM 0 HB2 LYS A 33 9.832 -5.314 9.227 1.00 1.00 H new ATOM 0 HB3 LYS A 33 8.448 -4.386 9.771 1.00 1.00 H new ATOM 0 HG2 LYS A 33 7.295 -5.557 8.142 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.992 -4.388 7.039 1.00 1.00 H new ATOM 0 HD2 LYS A 33 8.673 -6.412 6.028 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.078 -6.048 7.011 1.00 1.00 H new ATOM 0 HE2 LYS A 33 9.182 -7.490 8.849 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.751 -7.831 7.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 9.396 -9.584 7.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.162 -8.805 6.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 10.549 -8.474 7.098 1.00 1.00 H new ATOM 512 N LEU A 34 9.614 -2.933 6.057 1.00 1.00 N ATOM 513 CA LEU A 34 10.036 -3.042 4.669 1.00 1.00 C ATOM 514 C LEU A 34 11.049 -1.966 4.343 1.00 1.00 C ATOM 515 O LEU A 34 11.625 -1.956 3.258 1.00 1.00 O ATOM 516 CB LEU A 34 8.824 -2.908 3.739 1.00 1.00 C ATOM 517 CG LEU A 34 7.994 -4.201 3.770 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.677 -3.985 3.024 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.784 -5.350 3.110 1.00 1.00 C ATOM 0 H LEU A 34 8.736 -2.433 6.196 1.00 1.00 H new ATOM 0 HA LEU A 34 10.496 -4.019 4.521 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.209 -2.063 4.049 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.157 -2.704 2.721 1.00 1.00 H new ATOM 0 HG LEU A 34 7.783 -4.464 4.806 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.091 -4.904 3.048 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.115 -3.183 3.503 1.00 1.00 H new ATOM 0 HD13 LEU A 34 6.885 -3.714 1.989 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.189 -6.263 3.136 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.006 -5.091 2.075 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.716 -5.509 3.652 1.00 1.00 H new ATOM 531 N GLY A 35 11.269 -1.064 5.290 1.00 1.00 N ATOM 532 CA GLY A 35 12.226 0.021 5.093 1.00 1.00 C ATOM 533 C GLY A 35 11.517 1.307 4.687 1.00 1.00 C ATOM 534 O GLY A 35 12.160 2.286 4.311 1.00 1.00 O ATOM 0 H GLY A 35 10.802 -1.060 6.197 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.788 0.186 6.012 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.946 -0.260 4.325 1.00 1.00 H new ATOM 538 N ALA A 36 10.190 1.300 4.766 1.00 1.00 N ATOM 539 CA ALA A 36 9.404 2.471 4.409 1.00 1.00 C ATOM 540 C ALA A 36 9.726 3.629 5.341 1.00 1.00 C ATOM 541 O ALA A 36 9.982 3.428 6.525 1.00 1.00 O ATOM 542 CB ALA A 36 7.913 2.147 4.497 1.00 1.00 C ATOM 0 H ALA A 36 9.640 0.498 5.073 1.00 1.00 H new ATOM 0 HA ALA A 36 9.654 2.756 3.387 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.332 3.029 4.228 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.676 1.334 3.811 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.665 1.846 5.515 1.00 1.00 H new ATOM 548 N ASP A 37 9.704 4.844 4.800 1.00 1.00 N ATOM 549 CA ASP A 37 9.997 6.041 5.590 1.00 1.00 C ATOM 550 C ASP A 37 9.106 7.198 5.163 1.00 1.00 C ATOM 551 O ASP A 37 8.241 7.044 4.311 1.00 1.00 O ATOM 552 CB ASP A 37 11.464 6.435 5.412 1.00 1.00 C ATOM 553 CG ASP A 37 12.367 5.444 6.143 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.863 4.715 6.977 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.552 5.434 5.862 1.00 1.00 O ATOM 0 H ASP A 37 9.487 5.028 3.820 1.00 1.00 H new ATOM 0 HA ASP A 37 9.803 5.817 6.639 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.717 6.455 4.352 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.628 7.441 5.798 1.00 1.00 H new ATOM 560 N SER A 38 9.321 8.357 5.769 1.00 1.00 N ATOM 561 CA SER A 38 8.522 9.536 5.448 1.00 1.00 C ATOM 562 C SER A 38 8.670 9.899 3.974 1.00 1.00 C ATOM 563 O SER A 38 7.691 10.216 3.300 1.00 1.00 O ATOM 564 CB SER A 38 8.966 10.716 6.315 1.00 1.00 C ATOM 0 H SER A 38 10.036 8.508 6.481 1.00 1.00 H new ATOM 0 HA SER A 38 7.475 9.310 5.650 1.00 1.00 H new ATOM 569 N LEU A 39 9.902 9.860 3.483 1.00 1.00 N ATOM 570 CA LEU A 39 10.174 10.185 2.088 1.00 1.00 C ATOM 571 C LEU A 39 9.632 9.104 1.169 1.00 1.00 C ATOM 572 O LEU A 39 9.249 9.379 0.033 1.00 1.00 O ATOM 573 CB LEU A 39 11.679 10.349 1.872 1.00 1.00 C ATOM 574 CG LEU A 39 12.240 11.342 2.894 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.759 11.435 2.734 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.615 12.727 2.667 1.00 1.00 C ATOM 0 H LEU A 39 10.727 9.607 4.028 1.00 1.00 H new ATOM 0 HA LEU A 39 9.674 11.124 1.849 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.178 9.385 1.974 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.875 10.704 0.860 1.00 1.00 H new ATOM 0 HG LEU A 39 12.000 10.999 3.900 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.159 12.142 3.461 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.203 10.453 2.900 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.999 11.776 1.727 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.016 13.431 3.396 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.851 13.072 1.661 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.533 12.662 2.783 1.00 1.00 H new ATOM 588 N ASP A 40 9.644 7.866 1.645 1.00 1.00 N ATOM 589 CA ASP A 40 9.153 6.744 0.854 1.00 1.00 C ATOM 590 C ASP A 40 7.646 6.606 0.983 1.00 1.00 C ATOM 591 O ASP A 40 6.943 6.459 -0.005 1.00 1.00 O ATOM 592 CB ASP A 40 9.850 5.445 1.302 1.00 1.00 C ATOM 593 CG ASP A 40 11.162 5.258 0.546 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.163 5.466 -0.656 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.144 4.913 1.179 1.00 1.00 O ATOM 0 H ASP A 40 9.987 7.613 2.572 1.00 1.00 H new ATOM 0 HA ASP A 40 9.385 6.932 -0.194 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.042 5.479 2.374 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.195 4.593 1.123 1.00 1.00 H new ATOM 600 N THR A 41 7.163 6.624 2.219 1.00 1.00 N ATOM 601 CA THR A 41 5.739 6.450 2.469 1.00 1.00 C ATOM 602 C THR A 41 4.911 7.305 1.525 1.00 1.00 C ATOM 603 O THR A 41 3.923 6.841 0.960 1.00 1.00 O ATOM 604 CB THR A 41 5.427 6.841 3.920 1.00 1.00 C ATOM 605 OG1 THR A 41 6.114 8.040 4.243 1.00 1.00 O ATOM 606 CG2 THR A 41 5.860 5.722 4.874 1.00 1.00 C ATOM 0 H THR A 41 7.730 6.756 3.056 1.00 1.00 H new ATOM 0 HA THR A 41 5.483 5.404 2.299 1.00 1.00 H new ATOM 0 HB THR A 41 4.353 6.996 4.026 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.071 7.852 4.342 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.634 6.011 5.900 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.323 4.806 4.628 1.00 1.00 H new ATOM 0 HG23 THR A 41 6.932 5.552 4.773 1.00 1.00 H new ATOM 614 N VAL A 42 5.325 8.548 1.351 1.00 1.00 N ATOM 615 CA VAL A 42 4.609 9.465 0.471 1.00 1.00 C ATOM 616 C VAL A 42 4.648 8.962 -0.969 1.00 1.00 C ATOM 617 O VAL A 42 3.665 9.079 -1.701 1.00 1.00 O ATOM 618 CB VAL A 42 5.234 10.860 0.543 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.645 10.816 -0.040 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.381 11.844 -0.257 1.00 1.00 C ATOM 0 H VAL A 42 6.148 8.947 1.803 1.00 1.00 H new ATOM 0 HA VAL A 42 3.571 9.517 0.800 1.00 1.00 H new ATOM 0 HB VAL A 42 5.281 11.184 1.583 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.091 11.809 0.011 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.253 10.115 0.532 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.599 10.492 -1.080 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.827 12.837 -0.205 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.333 11.522 -1.297 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.374 11.876 0.160 1.00 1.00 H new ATOM 630 N GLU A 43 5.786 8.403 -1.371 1.00 1.00 N ATOM 631 CA GLU A 43 5.936 7.887 -2.721 1.00 1.00 C ATOM 632 C GLU A 43 5.029 6.683 -2.938 1.00 1.00 C ATOM 633 O GLU A 43 4.489 6.487 -4.026 1.00 1.00 O ATOM 634 CB GLU A 43 7.393 7.494 -2.961 1.00 1.00 C ATOM 635 CG GLU A 43 8.268 8.749 -2.988 1.00 1.00 C ATOM 636 CD GLU A 43 9.736 8.361 -3.131 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.009 7.175 -3.226 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.566 9.255 -3.143 1.00 1.00 O ATOM 0 H GLU A 43 6.612 8.298 -0.782 1.00 1.00 H new ATOM 0 HA GLU A 43 5.650 8.665 -3.428 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.732 6.819 -2.175 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.484 6.955 -3.904 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.971 9.391 -3.817 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.123 9.323 -2.073 1.00 1.00 H new ATOM 645 N ILE A 44 4.876 5.873 -1.902 1.00 1.00 N ATOM 646 CA ILE A 44 4.041 4.681 -1.995 1.00 1.00 C ATOM 647 C ILE A 44 2.586 5.067 -2.196 1.00 1.00 C ATOM 648 O ILE A 44 1.891 4.481 -3.023 1.00 1.00 O ATOM 649 CB ILE A 44 4.178 3.848 -0.716 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.665 3.591 -0.411 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.461 2.505 -0.895 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.186 2.426 -1.240 1.00 1.00 C ATOM 0 H ILE A 44 5.315 6.016 -0.992 1.00 1.00 H new ATOM 0 HA ILE A 44 4.372 4.092 -2.850 1.00 1.00 H new ATOM 0 HB ILE A 44 3.729 4.397 0.112 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.247 4.487 -0.627 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.793 3.376 0.650 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.560 1.915 0.016 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.405 2.681 -1.100 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.907 1.963 -1.729 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.239 2.259 -1.011 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.616 1.528 -1.003 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.077 2.656 -2.300 1.00 1.00 H new ATOM 664 N VAL A 45 2.130 6.051 -1.432 1.00 1.00 N ATOM 665 CA VAL A 45 0.748 6.501 -1.535 1.00 1.00 C ATOM 666 C VAL A 45 0.470 7.066 -2.923 1.00 1.00 C ATOM 667 O VAL A 45 -0.536 6.744 -3.546 1.00 1.00 O ATOM 668 CB VAL A 45 0.471 7.577 -0.483 1.00 1.00 C ATOM 669 CG1 VAL A 45 -0.962 8.089 -0.638 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.656 6.984 0.914 1.00 1.00 C ATOM 0 H VAL A 45 2.691 6.549 -0.740 1.00 1.00 H new ATOM 0 HA VAL A 45 0.094 5.646 -1.365 1.00 1.00 H new ATOM 0 HB VAL A 45 1.166 8.405 -0.620 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.158 8.855 0.112 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.091 8.514 -1.633 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.660 7.263 -0.503 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.459 7.750 1.664 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.038 6.154 1.052 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.679 6.624 1.024 1.00 1.00 H new ATOM 680 N MET A 46 1.374 7.913 -3.404 1.00 1.00 N ATOM 681 CA MET A 46 1.211 8.518 -4.718 1.00 1.00 C ATOM 682 C MET A 46 1.204 7.455 -5.808 1.00 1.00 C ATOM 683 O MET A 46 0.424 7.527 -6.756 1.00 1.00 O ATOM 684 CB MET A 46 2.344 9.511 -4.979 1.00 1.00 C ATOM 685 CG MET A 46 2.142 10.178 -6.341 1.00 1.00 C ATOM 686 SD MET A 46 3.110 11.709 -6.412 1.00 1.00 S ATOM 687 CE MET A 46 4.674 11.022 -5.821 1.00 1.00 C ATOM 0 H MET A 46 2.220 8.193 -2.908 1.00 1.00 H new ATOM 0 HA MET A 46 0.255 9.041 -4.736 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.367 10.266 -4.193 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.304 8.996 -4.954 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.451 9.502 -7.138 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.086 10.395 -6.499 1.00 1.00 H new ATOM 0 HE1 MET A 46 5.493 11.680 -6.112 1.00 1.00 H new ATOM 0 HE2 MET A 46 4.646 10.936 -4.735 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.827 10.036 -6.260 1.00 1.00 H new ATOM 697 N ASN A 47 2.091 6.473 -5.676 1.00 1.00 N ATOM 698 CA ASN A 47 2.182 5.408 -6.665 1.00 1.00 C ATOM 699 C ASN A 47 0.919 4.551 -6.661 1.00 1.00 C ATOM 700 O ASN A 47 0.329 4.296 -7.711 1.00 1.00 O ATOM 701 CB ASN A 47 3.404 4.527 -6.366 1.00 1.00 C ATOM 702 CG ASN A 47 4.669 5.182 -6.908 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.893 5.190 -8.118 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.514 5.733 -6.083 1.00 1.00 N ATOM 0 H ASN A 47 2.750 6.394 -4.902 1.00 1.00 H new ATOM 0 HA ASN A 47 2.288 5.862 -7.650 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.497 4.374 -5.291 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.272 3.544 -6.818 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.363 6.172 -6.440 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.327 5.725 -5.080 1.00 1.00 H new ATOM 711 N LEU A 48 0.517 4.100 -5.476 1.00 1.00 N ATOM 712 CA LEU A 48 -0.664 3.263 -5.355 1.00 1.00 C ATOM 713 C LEU A 48 -1.910 4.028 -5.765 1.00 1.00 C ATOM 714 O LEU A 48 -2.755 3.509 -6.489 1.00 1.00 O ATOM 715 CB LEU A 48 -0.809 2.778 -3.906 1.00 1.00 C ATOM 716 CG LEU A 48 0.349 1.839 -3.554 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.268 1.468 -2.071 1.00 1.00 C ATOM 718 CD2 LEU A 48 0.274 0.566 -4.411 1.00 1.00 C ATOM 0 H LEU A 48 0.990 4.300 -4.595 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.550 2.405 -6.018 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.817 3.630 -3.227 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.760 2.261 -3.780 1.00 1.00 H new ATOM 0 HG LEU A 48 1.294 2.344 -3.754 1.00 1.00 H new ATOM 0 HD11 LEU A 48 1.091 0.800 -1.818 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.335 2.372 -1.466 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.680 0.968 -1.872 1.00 1.00 H new ATOM 0 HD21 LEU A 48 1.101 -0.095 -4.153 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -0.671 0.056 -4.223 1.00 1.00 H new ATOM 0 HD23 LEU A 48 0.338 0.833 -5.466 1.00 1.00 H new ATOM 730 N GLU A 49 -2.014 5.266 -5.312 1.00 1.00 N ATOM 731 CA GLU A 49 -3.168 6.090 -5.645 1.00 1.00 C ATOM 732 C GLU A 49 -3.309 6.243 -7.154 1.00 1.00 C ATOM 733 O GLU A 49 -4.417 6.237 -7.687 1.00 1.00 O ATOM 734 CB GLU A 49 -3.026 7.472 -4.993 1.00 1.00 C ATOM 735 CG GLU A 49 -3.403 7.389 -3.513 1.00 1.00 C ATOM 736 CD GLU A 49 -3.197 8.742 -2.846 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.805 9.668 -3.537 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.434 8.834 -1.653 1.00 1.00 O ATOM 0 H GLU A 49 -1.321 5.721 -4.718 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.063 5.598 -5.264 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.002 7.830 -5.097 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.668 8.192 -5.501 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.443 7.079 -3.411 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.795 6.633 -3.016 1.00 1.00 H new ATOM 745 N GLU A 50 -2.183 6.390 -7.831 1.00 1.00 N ATOM 746 CA GLU A 50 -2.186 6.546 -9.279 1.00 1.00 C ATOM 747 C GLU A 50 -2.495 5.219 -9.963 1.00 1.00 C ATOM 748 O GLU A 50 -3.105 5.188 -11.033 1.00 1.00 O ATOM 749 CB GLU A 50 -0.832 7.074 -9.756 1.00 1.00 C ATOM 750 CG GLU A 50 -0.881 7.325 -11.265 1.00 1.00 C ATOM 751 CD GLU A 50 0.444 7.907 -11.740 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.225 8.315 -10.898 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.661 7.931 -12.941 1.00 1.00 O ATOM 0 H GLU A 50 -1.257 6.405 -7.405 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.963 7.263 -9.544 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.585 7.997 -9.232 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.047 6.355 -9.522 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.087 6.393 -11.790 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.694 8.011 -11.502 1.00 1.00 H new ATOM 760 N GLU A 51 -2.050 4.124 -9.349 1.00 1.00 N ATOM 761 CA GLU A 51 -2.273 2.804 -9.919 1.00 1.00 C ATOM 762 C GLU A 51 -3.756 2.463 -9.910 1.00 1.00 C ATOM 763 O GLU A 51 -4.281 1.918 -10.881 1.00 1.00 O ATOM 764 CB GLU A 51 -1.500 1.756 -9.115 1.00 1.00 C ATOM 765 CG GLU A 51 -1.594 0.397 -9.815 1.00 1.00 C ATOM 766 CD GLU A 51 -0.803 0.429 -11.119 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.031 1.307 -11.261 1.00 1.00 O ATOM 768 OE2 GLU A 51 -1.048 -0.422 -11.956 1.00 1.00 O ATOM 0 H GLU A 51 -1.539 4.127 -8.466 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.920 2.806 -10.950 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.456 2.055 -9.018 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.906 1.685 -8.106 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.206 -0.385 -9.163 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.637 0.154 -10.018 1.00 1.00 H new ATOM 775 N PHE A 52 -4.426 2.773 -8.805 1.00 1.00 N ATOM 776 CA PHE A 52 -5.852 2.484 -8.676 1.00 1.00 C ATOM 777 C PHE A 52 -6.680 3.711 -9.032 1.00 1.00 C ATOM 778 O PHE A 52 -7.908 3.665 -9.029 1.00 1.00 O ATOM 779 CB PHE A 52 -6.166 2.044 -7.247 1.00 1.00 C ATOM 780 CG PHE A 52 -5.496 0.722 -6.963 1.00 1.00 C ATOM 781 CD1 PHE A 52 -6.084 -0.469 -7.406 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.287 0.685 -6.256 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.460 -1.695 -7.142 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.667 -0.539 -5.995 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.251 -1.728 -6.437 1.00 1.00 C ATOM 0 H PHE A 52 -4.009 3.222 -7.990 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.107 1.679 -9.365 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.820 2.798 -6.540 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.244 1.953 -7.113 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.017 -0.442 -7.950 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.834 1.603 -5.913 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.912 -2.615 -7.482 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.735 -0.566 -5.451 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.770 -2.673 -6.235 1.00 1.00 H new ATOM 795 N GLY A 53 -5.997 4.809 -9.349 1.00 1.00 N ATOM 796 CA GLY A 53 -6.684 6.039 -9.717 1.00 1.00 C ATOM 797 C GLY A 53 -7.631 6.488 -8.617 1.00 1.00 C ATOM 798 O GLY A 53 -8.800 6.775 -8.876 1.00 1.00 O ATOM 0 H GLY A 53 -4.979 4.870 -9.358 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.952 6.823 -9.913 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.242 5.885 -10.641 1.00 1.00 H new ATOM 802 N ILE A 54 -7.125 6.550 -7.390 1.00 1.00 N ATOM 803 CA ILE A 54 -7.936 6.974 -6.246 1.00 1.00 C ATOM 804 C ILE A 54 -7.270 8.133 -5.522 1.00 1.00 C ATOM 805 O ILE A 54 -6.317 8.729 -6.024 1.00 1.00 O ATOM 806 CB ILE A 54 -8.132 5.804 -5.284 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.769 5.270 -4.844 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.914 4.690 -5.985 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.957 4.224 -3.744 1.00 1.00 C ATOM 0 H ILE A 54 -6.160 6.313 -7.159 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.908 7.304 -6.612 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.688 6.144 -4.410 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.249 4.829 -5.694 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.147 6.088 -4.479 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.053 3.855 -5.298 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.887 5.069 -6.297 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.359 4.351 -6.860 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.984 3.845 -3.432 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.459 4.680 -2.891 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.562 3.401 -4.124 1.00 1.00 H new ATOM 821 N ASN A 55 -7.775 8.448 -4.335 1.00 1.00 N ATOM 822 CA ASN A 55 -7.220 9.543 -3.544 1.00 1.00 C ATOM 823 C ASN A 55 -7.371 9.257 -2.058 1.00 1.00 C ATOM 824 O ASN A 55 -8.484 9.179 -1.542 1.00 1.00 O ATOM 825 CB ASN A 55 -7.939 10.849 -3.886 1.00 1.00 C ATOM 826 CG ASN A 55 -9.435 10.705 -3.628 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.885 10.824 -2.488 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.238 10.449 -4.624 1.00 1.00 N ATOM 0 H ASN A 55 -8.562 7.966 -3.900 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.160 9.637 -3.781 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.535 11.664 -3.285 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.765 11.106 -4.931 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.239 10.347 -4.459 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.864 10.351 -5.568 1.00 1.00 H new ATOM 835 N VAL A 56 -6.242 9.106 -1.369 1.00 1.00 N ATOM 836 CA VAL A 56 -6.256 8.839 0.070 1.00 1.00 C ATOM 837 C VAL A 56 -5.346 9.819 0.802 1.00 1.00 C ATOM 838 O VAL A 56 -4.183 9.994 0.436 1.00 1.00 O ATOM 839 CB VAL A 56 -5.794 7.404 0.336 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.607 7.198 1.844 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.850 6.423 -0.187 1.00 1.00 C ATOM 0 H VAL A 56 -5.310 9.163 -1.780 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.274 8.965 0.439 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.848 7.226 -0.175 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.278 6.176 2.034 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.857 7.896 2.216 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.553 7.375 2.356 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.522 5.401 0.002 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.796 6.601 0.324 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.983 6.569 -1.259 1.00 1.00 H new ATOM 851 N ASP A 57 -5.877 10.438 1.848 1.00 1.00 N ATOM 852 CA ASP A 57 -5.101 11.386 2.639 1.00 1.00 C ATOM 853 C ASP A 57 -4.159 10.645 3.586 1.00 1.00 C ATOM 854 O ASP A 57 -4.514 9.606 4.143 1.00 1.00 O ATOM 855 CB ASP A 57 -6.036 12.286 3.446 1.00 1.00 C ATOM 856 CG ASP A 57 -5.236 13.386 4.135 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.020 13.348 4.050 1.00 1.00 O ATOM 858 OD2 ASP A 57 -5.852 14.248 4.740 1.00 1.00 O ATOM 0 H ASP A 57 -6.836 10.303 2.168 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.509 11.999 1.959 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.786 12.727 2.789 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.571 11.695 4.189 1.00 1.00 H new ATOM 863 N GLU A 58 -2.961 11.189 3.766 1.00 1.00 N ATOM 864 CA GLU A 58 -1.977 10.572 4.648 1.00 1.00 C ATOM 865 C GLU A 58 -2.531 10.439 6.063 1.00 1.00 C ATOM 866 O GLU A 58 -2.250 9.467 6.763 1.00 1.00 O ATOM 867 CB GLU A 58 -0.700 11.414 4.676 1.00 1.00 C ATOM 868 CG GLU A 58 -0.008 11.337 3.314 1.00 1.00 C ATOM 869 CD GLU A 58 1.212 12.253 3.298 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.431 12.933 4.286 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.905 12.265 2.293 1.00 1.00 O ATOM 0 H GLU A 58 -2.649 12.050 3.317 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.749 9.577 4.265 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.940 12.450 4.916 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.031 11.053 5.457 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.295 10.310 3.108 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.703 11.629 2.526 1.00 1.00 H new ATOM 878 N ASP A 59 -3.327 11.418 6.474 1.00 1.00 N ATOM 879 CA ASP A 59 -3.922 11.397 7.806 1.00 1.00 C ATOM 880 C ASP A 59 -4.892 10.228 7.936 1.00 1.00 C ATOM 881 O ASP A 59 -5.026 9.640 9.010 1.00 1.00 O ATOM 882 CB ASP A 59 -4.658 12.719 8.072 1.00 1.00 C ATOM 883 CG ASP A 59 -3.680 13.776 8.578 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.487 13.529 8.516 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.139 14.813 9.024 1.00 1.00 O ATOM 0 H ASP A 59 -3.575 12.231 5.910 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.127 11.275 8.542 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.138 13.066 7.157 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.447 12.562 8.807 1.00 1.00 H new ATOM 890 N LYS A 60 -5.581 9.910 6.845 1.00 1.00 N ATOM 891 CA LYS A 60 -6.547 8.817 6.855 1.00 1.00 C ATOM 892 C LYS A 60 -5.844 7.481 6.671 1.00 1.00 C ATOM 893 O LYS A 60 -6.421 6.424 6.924 1.00 1.00 O ATOM 894 CB LYS A 60 -7.572 9.017 5.741 1.00 1.00 C ATOM 895 CG LYS A 60 -8.452 10.226 6.067 1.00 1.00 C ATOM 896 CD LYS A 60 -9.484 10.420 4.957 1.00 1.00 C ATOM 897 CE LYS A 60 -10.351 11.641 5.271 1.00 1.00 C ATOM 898 NZ LYS A 60 -11.361 11.826 4.190 1.00 1.00 N ATOM 0 H LYS A 60 -5.490 10.389 5.949 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.056 8.815 7.819 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.064 9.170 4.789 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.188 8.124 5.634 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.954 10.076 7.023 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.837 11.120 6.167 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.982 10.554 3.999 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.108 9.531 4.868 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.850 11.508 6.231 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.727 12.531 5.356 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.950 12.656 4.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.875 11.971 3.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.963 10.980 4.129 1.00 1.00 H new ATOM 912 N ALA A 61 -4.590 7.533 6.228 1.00 1.00 N ATOM 913 CA ALA A 61 -3.813 6.319 6.010 1.00 1.00 C ATOM 914 C ALA A 61 -3.020 5.959 7.264 1.00 1.00 C ATOM 915 O ALA A 61 -2.134 5.110 7.228 1.00 1.00 O ATOM 916 CB ALA A 61 -2.855 6.508 4.835 1.00 1.00 C ATOM 0 H ALA A 61 -4.094 8.398 6.014 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.504 5.507 5.783 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.281 5.594 4.683 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.425 6.733 3.933 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.175 7.332 5.049 1.00 1.00 H new ATOM 922 N GLN A 62 -3.338 6.621 8.368 1.00 1.00 N ATOM 923 CA GLN A 62 -2.647 6.366 9.628 1.00 1.00 C ATOM 924 C GLN A 62 -3.010 4.991 10.176 1.00 1.00 C ATOM 925 O GLN A 62 -2.157 4.273 10.698 1.00 1.00 O ATOM 926 CB GLN A 62 -3.017 7.441 10.653 1.00 1.00 C ATOM 927 CG GLN A 62 -2.460 8.794 10.205 1.00 1.00 C ATOM 928 CD GLN A 62 -0.936 8.778 10.269 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.361 8.250 11.220 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.246 9.329 9.309 1.00 1.00 N ATOM 0 H GLN A 62 -4.065 7.335 8.419 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.573 6.394 9.441 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.100 7.500 10.758 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.616 7.178 11.632 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.787 9.013 9.189 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -2.851 9.587 10.843 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.726 9.766 8.522 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.773 9.323 9.345 1.00 1.00 H new ATOM 939 N ASP A 63 -4.285 4.633 10.058 1.00 1.00 N ATOM 940 CA ASP A 63 -4.756 3.344 10.551 1.00 1.00 C ATOM 941 C ASP A 63 -4.082 2.205 9.793 1.00 1.00 C ATOM 942 O ASP A 63 -4.326 1.032 10.073 1.00 1.00 O ATOM 943 CB ASP A 63 -6.272 3.244 10.388 1.00 1.00 C ATOM 944 CG ASP A 63 -6.795 2.006 11.110 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.993 1.315 11.717 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.990 1.770 11.051 1.00 1.00 O ATOM 0 H ASP A 63 -5.006 5.213 9.628 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.501 3.264 11.608 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.749 4.138 10.790 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.530 3.194 9.330 1.00 1.00 H new ATOM 951 N ILE A 64 -3.242 2.557 8.825 1.00 1.00 N ATOM 952 CA ILE A 64 -2.546 1.552 8.030 1.00 1.00 C ATOM 953 C ILE A 64 -1.329 1.037 8.772 1.00 1.00 C ATOM 954 O ILE A 64 -0.483 1.813 9.208 1.00 1.00 O ATOM 955 CB ILE A 64 -2.113 2.156 6.691 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.336 2.739 5.979 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.482 1.076 5.814 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.403 1.654 5.775 1.00 1.00 C ATOM 0 H ILE A 64 -3.028 3.522 8.574 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.227 0.720 7.851 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.382 2.944 6.871 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.750 3.559 6.566 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.041 3.154 5.015 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.176 1.512 4.863 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.610 0.660 6.319 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.209 0.284 5.633 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.267 2.084 5.268 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.990 0.847 5.169 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.711 1.259 6.743 1.00 1.00 H new ATOM 970 N SER A 65 -1.239 -0.285 8.904 1.00 1.00 N ATOM 971 CA SER A 65 -0.107 -0.909 9.592 1.00 1.00 C ATOM 972 C SER A 65 0.518 -1.986 8.720 1.00 1.00 C ATOM 973 O SER A 65 1.739 -2.130 8.683 1.00 1.00 O ATOM 974 CB SER A 65 -0.577 -1.519 10.914 1.00 1.00 C ATOM 975 OG SER A 65 -1.828 -2.160 10.721 1.00 1.00 O ATOM 0 H SER A 65 -1.931 -0.943 8.546 1.00 1.00 H new ATOM 0 HA SER A 65 0.644 -0.145 9.793 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.159 -2.236 11.278 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.668 -0.742 11.673 1.00 1.00 H new ATOM 0 HG SER A 65 -2.129 -2.552 11.567 1.00 1.00 H new ATOM 981 N THR A 66 -0.323 -2.743 8.022 1.00 1.00 N ATOM 982 CA THR A 66 0.155 -3.818 7.148 1.00 1.00 C ATOM 983 C THR A 66 -0.426 -3.669 5.750 1.00 1.00 C ATOM 984 O THR A 66 -1.257 -2.796 5.503 1.00 1.00 O ATOM 985 CB THR A 66 -0.238 -5.176 7.726 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.604 -5.434 7.441 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.016 -5.177 9.239 1.00 1.00 C ATOM 0 H THR A 66 -1.337 -2.635 8.042 1.00 1.00 H new ATOM 0 HA THR A 66 1.241 -3.753 7.085 1.00 1.00 H new ATOM 0 HB THR A 66 0.378 -5.954 7.275 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.693 -6.327 7.047 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.298 -6.148 9.647 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.035 -4.985 9.453 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.627 -4.399 9.697 1.00 1.00 H new ATOM 995 N ILE A 67 0.022 -4.519 4.836 1.00 1.00 N ATOM 996 CA ILE A 67 -0.454 -4.460 3.458 1.00 1.00 C ATOM 997 C ILE A 67 -1.962 -4.643 3.407 1.00 1.00 C ATOM 998 O ILE A 67 -2.663 -3.877 2.746 1.00 1.00 O ATOM 999 CB ILE A 67 0.219 -5.555 2.628 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.742 -5.450 2.775 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -0.166 -5.404 1.160 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.214 -4.050 2.360 1.00 1.00 C ATOM 0 H ILE A 67 0.708 -5.251 5.020 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.202 -3.482 3.047 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.113 -6.530 2.986 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.031 -5.649 3.807 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.228 -6.205 2.157 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.317 -6.187 0.575 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -1.248 -5.489 1.057 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.158 -4.428 0.797 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.297 -3.984 2.468 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.941 -3.867 1.321 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.740 -3.303 2.997 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.456 -5.654 4.107 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.891 -5.915 4.126 1.00 1.00 C ATOM 1016 C GLN A 68 -4.663 -4.645 4.473 1.00 1.00 C ATOM 1017 O GLN A 68 -5.719 -4.376 3.902 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.204 -7.011 5.160 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.070 -8.389 4.510 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.292 -8.670 3.641 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.309 -8.259 2.404 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.261 -9.268 4.107 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.895 -6.300 4.663 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.198 -6.249 3.135 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.523 -6.930 6.007 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -5.213 -6.879 5.549 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.164 -8.429 3.905 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.974 -9.156 5.278 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.245 -9.589 5.075 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.080 -9.443 3.525 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.133 -3.874 5.416 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.789 -2.642 5.831 1.00 1.00 C ATOM 1033 C GLN A 69 -4.898 -1.679 4.654 1.00 1.00 C ATOM 1034 O GLN A 69 -5.962 -1.124 4.392 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.989 -1.984 6.954 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.811 -2.974 8.103 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.164 -3.321 8.707 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.049 -2.468 8.784 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.377 -4.526 9.153 1.00 1.00 N ATOM 0 H GLN A 69 -3.260 -4.078 5.903 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.790 -2.882 6.188 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.016 -1.664 6.582 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.505 -1.091 7.307 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.322 -3.879 7.742 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.162 -2.545 8.866 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.643 -5.231 9.088 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.278 -4.765 9.567 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.790 -1.488 3.945 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.776 -0.591 2.796 1.00 1.00 C ATOM 1050 C ALA A 70 -4.647 -1.141 1.672 1.00 1.00 C ATOM 1051 O ALA A 70 -5.359 -0.394 1.003 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.341 -0.413 2.290 1.00 1.00 C ATOM 0 H ALA A 70 -2.897 -1.939 4.144 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.175 0.374 3.109 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.339 0.258 1.431 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.725 0.010 3.084 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.937 -1.381 1.995 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.576 -2.452 1.464 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.353 -3.088 0.408 1.00 1.00 C ATOM 1060 C ALA A 71 -6.846 -2.944 0.676 1.00 1.00 C ATOM 1061 O ALA A 71 -7.627 -2.712 -0.243 1.00 1.00 O ATOM 1062 CB ALA A 71 -4.992 -4.572 0.317 1.00 1.00 C ATOM 0 H ALA A 71 -3.994 -3.089 2.008 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.117 -2.596 -0.535 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.577 -5.041 -0.474 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.930 -4.675 0.093 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.212 -5.059 1.267 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.232 -3.089 1.939 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.637 -2.981 2.315 1.00 1.00 C ATOM 1070 C ASP A 72 -9.171 -1.586 2.015 1.00 1.00 C ATOM 1071 O ASP A 72 -10.271 -1.430 1.484 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.801 -3.282 3.806 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.582 -4.769 4.066 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.530 -5.517 3.105 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.474 -5.138 5.224 1.00 1.00 O ATOM 0 H ASP A 72 -6.597 -3.280 2.714 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.205 -3.705 1.731 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.088 -2.695 4.384 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.798 -2.990 4.137 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.389 -0.572 2.364 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.795 0.806 2.129 1.00 1.00 C ATOM 1082 C VAL A 73 -8.839 1.109 0.637 1.00 1.00 C ATOM 1083 O VAL A 73 -9.767 1.752 0.148 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.821 1.764 2.819 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.174 3.208 2.454 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.917 1.584 4.336 1.00 1.00 C ATOM 0 H VAL A 73 -7.477 -0.677 2.808 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.794 0.943 2.543 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.805 1.546 2.489 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.479 3.888 2.947 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.105 3.338 1.374 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.190 3.428 2.781 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.224 2.266 4.828 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.933 1.801 4.665 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.662 0.557 4.597 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.812 0.660 -0.082 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.740 0.914 -1.513 1.00 1.00 C ATOM 1098 C ILE A 74 -8.932 0.304 -2.238 1.00 1.00 C ATOM 1099 O ILE A 74 -9.641 0.994 -2.966 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.440 0.319 -2.078 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.245 1.145 -1.595 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.487 0.331 -3.609 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.951 0.367 -1.843 1.00 1.00 C ATOM 0 H ILE A 74 -7.031 0.126 0.299 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.755 1.993 -1.670 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.335 -0.709 -1.730 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.214 2.100 -2.120 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.349 1.368 -0.533 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.563 -0.092 -4.005 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.334 -0.263 -3.952 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.597 1.357 -3.962 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.101 0.956 -1.499 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.983 -0.576 -1.298 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.846 0.167 -2.909 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.142 -0.990 -2.038 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.241 -1.687 -2.692 1.00 1.00 C ATOM 1117 C GLU A 75 -11.581 -1.159 -2.195 1.00 1.00 C ATOM 1118 O GLU A 75 -12.566 -1.139 -2.931 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.134 -3.191 -2.429 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.519 -3.490 -0.978 1.00 1.00 C ATOM 1121 CD GLU A 75 -10.235 -4.947 -0.652 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -9.915 -5.682 -1.569 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.359 -5.308 0.507 1.00 1.00 O ATOM 0 H GLU A 75 -8.569 -1.576 -1.431 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.179 -1.508 -3.765 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.789 -3.736 -3.109 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.117 -3.532 -2.623 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.958 -2.842 -0.304 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.576 -3.274 -0.822 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.611 -0.755 -0.929 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.839 -0.250 -0.331 1.00 1.00 C ATOM 1132 C GLY A 76 -13.341 0.972 -1.084 1.00 1.00 C ATOM 1133 O GLY A 76 -14.540 1.251 -1.102 1.00 1.00 O ATOM 0 H GLY A 76 -10.806 -0.767 -0.303 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.602 -1.029 -0.342 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.662 0.008 0.713 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.416 1.701 -1.705 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.779 2.893 -2.460 1.00 1.00 C ATOM 1139 C LEU A 77 -13.357 2.524 -3.817 1.00 1.00 C ATOM 1140 O LEU A 77 -14.334 3.118 -4.271 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.550 3.784 -2.641 1.00 1.00 C ATOM 1142 CG LEU A 77 -11.149 4.387 -1.288 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.752 5.008 -1.401 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -12.162 5.471 -0.871 1.00 1.00 C ATOM 0 H LEU A 77 -11.419 1.488 -1.700 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.542 3.435 -1.901 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.724 3.203 -3.051 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.766 4.579 -3.355 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.141 3.600 -0.534 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.466 5.437 -0.441 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -9.034 4.239 -1.683 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.762 5.791 -2.159 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.869 5.893 0.090 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -12.181 6.260 -1.623 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.154 5.028 -0.785 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.740 1.547 -4.465 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.195 1.111 -5.779 1.00 1.00 C ATOM 1158 C LEU A 78 -14.604 0.552 -5.696 1.00 1.00 C ATOM 1159 O LEU A 78 -15.423 0.794 -6.577 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.249 0.037 -6.319 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.935 0.696 -6.823 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.734 0.003 -6.184 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.846 0.574 -8.347 1.00 1.00 C ATOM 0 H LEU A 78 -11.929 1.043 -4.107 1.00 1.00 H new ATOM 0 HA LEU A 78 -13.198 1.969 -6.451 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.026 -0.690 -5.538 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.729 -0.507 -7.133 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.934 1.750 -6.545 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.814 0.468 -6.540 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.793 0.099 -5.100 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.736 -1.053 -6.456 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.923 1.037 -8.696 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.852 -0.479 -8.629 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.699 1.077 -8.803 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.874 -0.199 -4.639 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.192 -0.790 -4.456 1.00 1.00 C ATOM 1177 C GLU A 79 -17.265 0.292 -4.428 1.00 1.00 C ATOM 1178 O GLU A 79 -18.385 0.083 -4.890 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.229 -1.583 -3.147 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.347 -2.825 -3.276 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.285 -3.562 -1.943 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -15.897 -3.090 -0.999 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.624 -4.585 -1.885 1.00 1.00 O ATOM 0 H GLU A 79 -14.204 -0.413 -3.900 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.390 -1.459 -5.293 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.880 -0.961 -2.323 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.253 -1.874 -2.915 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.744 -3.485 -4.047 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.343 -2.537 -3.589 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.914 1.452 -3.878 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.859 2.558 -3.791 1.00 1.00 C ATOM 1192 C LYS A 80 -18.303 2.994 -5.181 1.00 1.00 C ATOM 1193 O LYS A 80 -19.490 3.204 -5.426 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.208 3.743 -3.073 1.00 1.00 C ATOM 1195 CG LYS A 80 -18.247 4.847 -2.864 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.615 6.001 -2.083 1.00 1.00 C ATOM 1197 CE LYS A 80 -18.662 7.091 -1.847 1.00 1.00 C ATOM 1198 NZ LYS A 80 -18.059 8.195 -1.048 1.00 1.00 N ATOM 0 H LYS A 80 -15.991 1.648 -3.490 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.731 2.222 -3.230 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.804 3.423 -2.113 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -16.372 4.123 -3.660 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -18.614 5.203 -3.827 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -19.107 4.454 -2.321 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -17.229 5.640 -1.130 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -16.769 6.408 -2.636 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -19.025 7.474 -2.801 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -19.523 6.676 -1.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -18.771 8.936 -0.887 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -17.734 7.823 -0.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -17.251 8.597 -1.565 1.00 1.00 H new ATOM 1212 N LYS A 81 -17.344 3.127 -6.093 1.00 1.00 N ATOM 1213 CA LYS A 81 -17.648 3.540 -7.461 1.00 1.00 C ATOM 1214 C LYS A 81 -17.726 2.329 -8.385 1.00 1.00 C ATOM 1215 O LYS A 81 -17.062 1.318 -8.158 1.00 1.00 O ATOM 1216 CB LYS A 81 -16.570 4.499 -7.967 1.00 1.00 C ATOM 1217 CG LYS A 81 -15.188 3.879 -7.748 1.00 1.00 C ATOM 1218 CD LYS A 81 -14.116 4.801 -8.331 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.733 4.195 -8.090 1.00 1.00 C ATOM 1220 NZ LYS A 81 -11.693 5.072 -8.695 1.00 1.00 N ATOM 0 H LYS A 81 -16.355 2.956 -5.912 1.00 1.00 H new ATOM 0 HA LYS A 81 -18.615 4.044 -7.461 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.723 4.708 -9.026 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.640 5.451 -7.441 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -15.011 3.726 -6.683 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -15.138 2.899 -8.223 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -14.283 4.939 -9.399 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -14.178 5.786 -7.869 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.554 4.085 -7.020 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.681 3.197 -8.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.753 4.659 -8.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.861 5.155 -9.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -11.738 6.015 -8.259 1.00 1.00 H new ATOM 1234 N ALA A 82 -18.540 2.438 -9.426 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.694 1.344 -10.378 1.00 1.00 C ATOM 1236 C ALA A 82 -19.064 0.052 -9.657 1.00 1.00 C ATOM 1237 O ALA A 82 -20.233 -0.298 -9.671 1.00 1.00 O ATOM 1238 CB ALA A 82 -17.393 1.142 -11.157 1.00 1.00 C ATOM 1239 OXT ALA A 82 -18.173 -0.569 -9.102 1.00 1.00 O ATOM 0 H ALA A 82 -19.100 3.265 -9.633 1.00 1.00 H new ATOM 0 HA ALA A 82 -19.496 1.601 -11.070 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.517 0.323 -11.866 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -17.147 2.056 -11.698 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -16.587 0.903 -10.463 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.436 10.564 7.625 1.00 1.00 O HETATM 1247 P24 PNS A 101 7.990 11.854 8.479 1.00 1.00 P HETATM 1248 O25 PNS A 101 6.696 12.339 7.947 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.144 12.778 8.562 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.731 11.234 9.940 1.00 1.00 O HETATM 1251 C28 PNS A 101 6.543 11.545 10.654 1.00 1.00 C HETATM 1252 C29 PNS A 101 6.471 10.680 11.918 1.00 1.00 C HETATM 1253 C30 PNS A 101 7.733 10.880 12.754 1.00 1.00 C HETATM 1254 C31 PNS A 101 6.347 9.207 11.511 1.00 1.00 C HETATM 1255 C32 PNS A 101 5.262 11.091 12.755 1.00 1.00 C HETATM 1256 O33 PNS A 101 4.090 10.835 11.999 1.00 1.00 O HETATM 1257 C34 PNS A 101 5.219 10.287 14.051 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.884 10.633 15.027 1.00 1.00 O HETATM 1259 N36 PNS A 101 4.435 9.214 14.053 1.00 1.00 N HETATM 1260 C37 PNS A 101 4.316 8.370 15.237 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.577 7.520 15.409 1.00 1.00 C HETATM 1262 C39 PNS A 101 5.709 6.539 14.247 1.00 1.00 C HETATM 1263 O40 PNS A 101 6.633 5.726 14.210 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.782 6.623 13.298 1.00 1.00 N HETATM 1265 C42 PNS A 101 4.806 5.741 12.138 1.00 1.00 C HETATM 1266 C43 PNS A 101 3.476 5.818 11.386 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.661 5.073 9.769 1.00 1.00 S HETATM 0 H432 PNS A 101 2.697 5.303 11.949 1.00 1.00 H new HETATM 0 H431 PNS A 101 3.162 6.857 11.286 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.993 4.715 12.456 1.00 1.00 H new HETATM 0 H421 PNS A 101 5.624 6.023 11.475 1.00 1.00 H new HETATM 0 H382 PNS A 101 5.532 6.975 16.352 1.00 1.00 H new HETATM 0 H381 PNS A 101 6.456 8.163 15.454 1.00 1.00 H new HETATM 0 H372 PNS A 101 3.443 7.724 15.146 1.00 1.00 H new HETATM 0 H371 PNS A 101 4.163 8.990 16.120 1.00 1.00 H new HETATM 0 H313 PNS A 101 6.295 8.586 12.405 1.00 1.00 H new HETATM 0 H312 PNS A 101 7.215 8.919 10.919 1.00 1.00 H new HETATM 0 H311 PNS A 101 5.442 9.068 10.920 1.00 1.00 H new HETATM 0 H303 PNS A 101 7.677 10.263 13.651 1.00 1.00 H new HETATM 0 H302 PNS A 101 7.818 11.929 13.039 1.00 1.00 H new HETATM 0 H301 PNS A 101 8.606 10.591 12.169 1.00 1.00 H new HETATM 0 H282 PNS A 101 5.670 11.366 10.026 1.00 1.00 H new HETATM 0 H281 PNS A 101 6.532 12.602 10.921 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.040 7.318 13.383 1.00 1.00 H new HETATM 0 H36 PNS A 101 3.908 8.977 13.213 1.00 1.00 H new HETATM 0 H33 PNS A 101 3.301 11.091 12.521 1.00 1.00 H new HETATM 0 H32 PNS A 101 5.330 12.149 13.006 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.060 3.449 9.604 1.00 1.00 C HETATM 1289 O1 DKA A 102 2.543 2.838 10.512 1.00 1.00 O HETATM 1290 C2 DKA A 102 3.262 2.921 8.215 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.542 3.818 7.206 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.574 3.160 5.826 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.642 3.914 4.883 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.586 3.191 3.535 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.645 3.948 2.584 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.788 3.445 2.769 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.725 4.207 1.831 1.00 1.00 C HETATM 1298 C10 DKA A 102 -3.047 3.448 1.698 1.00 1.00 C HETATM 0 H103 DKA A 102 -2.857 2.455 1.291 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.514 3.355 2.679 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.714 3.993 1.029 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.907 5.210 2.218 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.260 4.323 0.852 1.00 1.00 H new HETATM 0 H82 DKA A 102 -0.839 2.376 2.560 1.00 1.00 H new HETATM 0 H81 DKA A 102 -1.102 3.583 3.804 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.694 5.018 2.784 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.962 3.802 1.551 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.584 3.129 3.102 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.235 2.169 3.673 1.00 1.00 H new HETATM 0 H52 DKA A 102 0.643 3.978 5.315 1.00 1.00 H new HETATM 0 H51 DKA A 102 1.995 4.936 4.745 1.00 1.00 H new HETATM 0 H42 DKA A 102 3.590 3.166 5.432 1.00 1.00 H new HETATM 0 H41 DKA A 102 2.267 2.117 5.901 1.00 1.00 H new HETATM 0 H32 DKA A 102 1.511 3.981 7.519 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.021 4.796 7.166 1.00 1.00 H new HETATM 0 H22 DKA A 102 4.326 2.880 7.984 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.881 1.902 8.145 1.00 1.00 H new