USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 ASN : amide:sc= -1.02 K(o=-1.2,f=-8.3!) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.164 K(o=-1.2,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0131 (180deg=-0.225) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 4 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.28) USER MOD Single : A 5 HIS : no HD1:sc= 0.527 K(o=0.53,f=-3.9!) USER MOD Single : A 6 HIS : no HE2:sc= 0.0213 X(o=0.021,f=-0.47) USER MOD Single : A 7 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-4.2!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0019 X(o=-0.0019,f=-0.084) USER MOD Single : A 9 MET CE :methyl -178:sc= 0 (180deg=-0.00258) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 16 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 20 HIS : no HE2:sc= -0.617! C(o=-0.62!,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot -100:sc= -2.35! USER MOD Single : A 25 SER OG : rot 180:sc= -0.339 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 31 SER OG : rot 151:sc= -3.13 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc=-0.00334 (180deg=-0.0776) USER MOD Single : A 48 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.22) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 50 GLN : amide:sc= -3.96! C(o=-4!,f=-11!) USER MOD Single : A 51 GLN :FLIP amide:sc= -2.51 F(o=-3.3!,f=-2.5) USER MOD Single : A 52 ASN : amide:sc= -3.72 K(o=-3.7,f=-8.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 114:sc= 1.33 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 74 GLN : amide:sc= -6.5! C(o=-6.5!,f=-7.7!) USER MOD Single : A 75 SER OG : rot -107:sc= 0.804 USER MOD Single : A 77 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ -125:sc= -0.175 (180deg=-0.446) USER MOD Single : A 85 LYS NZ :NH3+ 144:sc= -1.22 (180deg=-2.07!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -69:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.638 21.257 14.180 1.00 1.00 N ATOM 2 CA MET A 1 -0.820 21.044 13.958 1.00 1.00 C ATOM 3 C MET A 1 -1.121 21.116 12.465 1.00 1.00 C ATOM 4 O MET A 1 -1.959 20.373 11.954 1.00 1.00 O ATOM 5 CB MET A 1 -1.610 22.124 14.703 1.00 1.00 C ATOM 6 CG MET A 1 -2.847 21.498 15.348 1.00 1.00 C ATOM 7 SD MET A 1 -3.910 22.806 16.007 1.00 1.00 S ATOM 8 CE MET A 1 -3.151 22.913 17.646 1.00 1.00 C ATOM 0 H1 MET A 1 0.883 20.993 15.156 1.00 1.00 H new ATOM 0 H2 MET A 1 1.180 20.668 13.516 1.00 1.00 H new ATOM 0 H3 MET A 1 0.870 22.259 14.023 1.00 1.00 H new ATOM 0 HA MET A 1 -1.111 20.063 14.335 1.00 1.00 H new ATOM 0 HB2 MET A 1 -0.984 22.586 15.466 1.00 1.00 H new ATOM 0 HB3 MET A 1 -1.907 22.914 14.013 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.393 20.906 14.614 1.00 1.00 H new ATOM 0 HG3 MET A 1 -2.550 20.819 16.147 1.00 1.00 H new ATOM 0 HE1 MET A 1 -3.662 23.675 18.234 1.00 1.00 H new ATOM 0 HE2 MET A 1 -3.235 21.950 18.149 1.00 1.00 H new ATOM 0 HE3 MET A 1 -2.099 23.178 17.543 1.00 1.00 H new ATOM 20 N GLY A 2 -0.431 22.016 11.771 1.00 1.00 N ATOM 21 CA GLY A 2 -0.633 22.177 10.335 1.00 1.00 C ATOM 22 C GLY A 2 -0.193 23.562 9.875 1.00 1.00 C ATOM 23 O GLY A 2 0.209 24.397 10.687 1.00 1.00 O ATOM 0 H GLY A 2 0.267 22.640 12.175 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -0.069 21.415 9.797 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -1.685 22.026 10.093 1.00 1.00 H new ATOM 27 N HIS A 3 -0.274 23.800 8.571 1.00 1.00 N ATOM 28 CA HIS A 3 0.120 25.090 8.014 1.00 1.00 C ATOM 29 C HIS A 3 1.635 25.253 8.062 1.00 1.00 C ATOM 30 O HIS A 3 2.151 26.371 8.007 1.00 1.00 O ATOM 31 CB HIS A 3 -0.542 26.222 8.802 1.00 1.00 C ATOM 32 CG HIS A 3 -0.971 27.308 7.855 1.00 1.00 C ATOM 33 ND1 HIS A 3 -0.142 28.370 7.525 1.00 1.00 N ATOM 34 CD2 HIS A 3 -2.137 27.513 7.160 1.00 1.00 C ATOM 35 CE1 HIS A 3 -0.814 29.157 6.665 1.00 1.00 C ATOM 36 NE2 HIS A 3 -2.037 28.681 6.409 1.00 1.00 N ATOM 0 H HIS A 3 -0.606 23.123 7.884 1.00 1.00 H new ATOM 0 HA HIS A 3 -0.206 25.132 6.975 1.00 1.00 H new ATOM 0 HB2 HIS A 3 -1.404 25.842 9.351 1.00 1.00 H new ATOM 0 HB3 HIS A 3 0.154 26.622 9.539 1.00 1.00 H new ATOM 0 HD2 HIS A 3 -3.001 26.866 7.191 1.00 1.00 H new ATOM 0 HE1 HIS A 3 -0.414 30.063 6.234 1.00 1.00 H new ATOM 0 HE2 HIS A 3 -2.744 29.086 5.796 1.00 1.00 H new ATOM 44 N HIS A 4 2.344 24.134 8.165 1.00 1.00 N ATOM 45 CA HIS A 4 3.801 24.165 8.219 1.00 1.00 C ATOM 46 C HIS A 4 4.369 22.751 8.140 1.00 1.00 C ATOM 47 O HIS A 4 5.260 22.387 8.910 1.00 1.00 O ATOM 48 CB HIS A 4 4.261 24.832 9.516 1.00 1.00 C ATOM 49 CG HIS A 4 5.711 25.214 9.397 1.00 1.00 C ATOM 50 ND1 HIS A 4 6.148 26.197 8.523 1.00 1.00 N ATOM 51 CD2 HIS A 4 6.837 24.754 10.035 1.00 1.00 C ATOM 52 CE1 HIS A 4 7.482 26.298 8.658 1.00 1.00 C ATOM 53 NE2 HIS A 4 7.953 25.440 9.566 1.00 1.00 N ATOM 0 H HIS A 4 1.937 23.200 8.213 1.00 1.00 H new ATOM 0 HA HIS A 4 4.167 24.739 7.368 1.00 1.00 H new ATOM 0 HB2 HIS A 4 3.656 25.716 9.717 1.00 1.00 H new ATOM 0 HB3 HIS A 4 4.121 24.152 10.357 1.00 1.00 H new ATOM 0 HD2 HIS A 4 6.854 23.978 10.786 1.00 1.00 H new ATOM 0 HE1 HIS A 4 8.097 26.989 8.100 1.00 1.00 H new ATOM 0 HE2 HIS A 4 8.923 25.314 9.854 1.00 1.00 H new ATOM 61 N HIS A 5 3.850 21.961 7.208 1.00 1.00 N ATOM 62 CA HIS A 5 4.313 20.589 7.038 1.00 1.00 C ATOM 63 C HIS A 5 5.281 20.489 5.864 1.00 1.00 C ATOM 64 O HIS A 5 5.598 21.492 5.222 1.00 1.00 O ATOM 65 CB HIS A 5 3.120 19.662 6.797 1.00 1.00 C ATOM 66 CG HIS A 5 2.443 20.042 5.508 1.00 1.00 C ATOM 67 ND1 HIS A 5 1.952 21.319 5.281 1.00 1.00 N ATOM 68 CD2 HIS A 5 2.169 19.327 4.370 1.00 1.00 C ATOM 69 CE1 HIS A 5 1.413 21.332 4.048 1.00 1.00 C ATOM 70 NE2 HIS A 5 1.519 20.144 3.449 1.00 1.00 N ATOM 0 H HIS A 5 3.113 22.244 6.562 1.00 1.00 H new ATOM 0 HA HIS A 5 4.832 20.287 7.948 1.00 1.00 H new ATOM 0 HB2 HIS A 5 3.454 18.625 6.753 1.00 1.00 H new ATOM 0 HB3 HIS A 5 2.416 19.735 7.626 1.00 1.00 H new ATOM 0 HD2 HIS A 5 2.419 18.288 4.212 1.00 1.00 H new ATOM 0 HE1 HIS A 5 0.951 22.198 3.598 1.00 1.00 H new ATOM 0 HE2 HIS A 5 1.194 19.889 2.516 1.00 1.00 H new ATOM 78 N HIS A 6 5.749 19.276 5.591 1.00 1.00 N ATOM 79 CA HIS A 6 6.681 19.056 4.491 1.00 1.00 C ATOM 80 C HIS A 6 6.530 17.642 3.936 1.00 1.00 C ATOM 81 O HIS A 6 6.504 17.442 2.722 1.00 1.00 O ATOM 82 CB HIS A 6 8.118 19.267 4.974 1.00 1.00 C ATOM 83 CG HIS A 6 8.913 19.950 3.895 1.00 1.00 C ATOM 84 ND1 HIS A 6 8.753 19.644 2.553 1.00 1.00 N ATOM 85 CD2 HIS A 6 9.876 20.927 3.945 1.00 1.00 C ATOM 86 CE1 HIS A 6 9.602 20.423 1.856 1.00 1.00 C ATOM 87 NE2 HIS A 6 10.310 21.223 2.656 1.00 1.00 N ATOM 0 H HIS A 6 5.501 18.435 6.112 1.00 1.00 H new ATOM 0 HA HIS A 6 6.456 19.771 3.699 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.123 19.870 5.882 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.573 18.309 5.225 1.00 1.00 H new ATOM 0 HD1 HIS A 6 8.110 18.955 2.164 1.00 1.00 H new ATOM 0 HD2 HIS A 6 10.241 21.395 4.847 1.00 1.00 H new ATOM 0 HE1 HIS A 6 9.698 20.403 0.780 1.00 1.00 H new ATOM 95 N HIS A 7 6.431 16.668 4.834 1.00 1.00 N ATOM 96 CA HIS A 7 6.281 15.277 4.423 1.00 1.00 C ATOM 97 C HIS A 7 5.985 14.392 5.629 1.00 1.00 C ATOM 98 O HIS A 7 6.846 13.643 6.089 1.00 1.00 O ATOM 99 CB HIS A 7 7.561 14.795 3.736 1.00 1.00 C ATOM 100 CG HIS A 7 8.758 15.281 4.504 1.00 1.00 C ATOM 101 ND1 HIS A 7 8.680 15.658 5.835 1.00 1.00 N ATOM 102 CD2 HIS A 7 10.071 15.457 4.141 1.00 1.00 C ATOM 103 CE1 HIS A 7 9.912 16.037 6.223 1.00 1.00 C ATOM 104 NE2 HIS A 7 10.797 15.935 5.228 1.00 1.00 N ATOM 0 H HIS A 7 6.452 16.814 5.843 1.00 1.00 H new ATOM 0 HA HIS A 7 5.447 15.211 3.724 1.00 1.00 H new ATOM 0 HB2 HIS A 7 7.569 13.706 3.681 1.00 1.00 H new ATOM 0 HB3 HIS A 7 7.598 15.166 2.712 1.00 1.00 H new ATOM 0 HD2 HIS A 7 10.478 15.255 3.161 1.00 1.00 H new ATOM 0 HE1 HIS A 7 10.155 16.381 7.217 1.00 1.00 H new ATOM 0 HE2 HIS A 7 11.792 16.159 5.258 1.00 1.00 H new ATOM 112 N HIS A 8 4.761 14.485 6.137 1.00 1.00 N ATOM 113 CA HIS A 8 4.359 13.688 7.291 1.00 1.00 C ATOM 114 C HIS A 8 3.619 12.432 6.844 1.00 1.00 C ATOM 115 O HIS A 8 3.473 11.480 7.611 1.00 1.00 O ATOM 116 CB HIS A 8 3.454 14.516 8.206 1.00 1.00 C ATOM 117 CG HIS A 8 4.274 15.118 9.315 1.00 1.00 C ATOM 118 ND1 HIS A 8 5.501 15.718 9.086 1.00 1.00 N ATOM 119 CD2 HIS A 8 4.052 15.221 10.665 1.00 1.00 C ATOM 120 CE1 HIS A 8 5.967 16.155 10.271 1.00 1.00 C ATOM 121 NE2 HIS A 8 5.122 15.877 11.267 1.00 1.00 N ATOM 0 H HIS A 8 4.034 15.100 5.771 1.00 1.00 H new ATOM 0 HA HIS A 8 5.256 13.393 7.835 1.00 1.00 H new ATOM 0 HB2 HIS A 8 2.964 15.304 7.634 1.00 1.00 H new ATOM 0 HB3 HIS A 8 2.667 13.887 8.622 1.00 1.00 H new ATOM 0 HD2 HIS A 8 3.180 14.850 11.182 1.00 1.00 H new ATOM 0 HE1 HIS A 8 6.909 16.668 10.400 1.00 1.00 H new ATOM 0 HE2 HIS A 8 5.236 16.098 12.256 1.00 1.00 H new ATOM 129 N MET A 9 3.150 12.438 5.601 1.00 1.00 N ATOM 130 CA MET A 9 2.424 11.292 5.064 1.00 1.00 C ATOM 131 C MET A 9 2.753 11.091 3.590 1.00 1.00 C ATOM 132 O MET A 9 2.450 11.941 2.752 1.00 1.00 O ATOM 133 CB MET A 9 0.918 11.507 5.234 1.00 1.00 C ATOM 134 CG MET A 9 0.147 10.426 4.473 1.00 1.00 C ATOM 135 SD MET A 9 -1.583 10.432 5.009 1.00 1.00 S ATOM 136 CE MET A 9 -1.383 9.329 6.429 1.00 1.00 C ATOM 0 H MET A 9 3.258 13.216 4.951 1.00 1.00 H new ATOM 0 HA MET A 9 2.728 10.400 5.612 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.655 11.477 6.291 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.639 12.493 4.864 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.207 10.608 3.400 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.593 9.448 4.656 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.352 9.161 6.898 1.00 1.00 H new ATOM 0 HE2 MET A 9 -0.972 8.377 6.095 1.00 1.00 H new ATOM 0 HE3 MET A 9 -0.704 9.784 7.150 1.00 1.00 H new ATOM 146 N ASP A 10 3.379 9.960 3.281 1.00 1.00 N ATOM 147 CA ASP A 10 3.749 9.654 1.904 1.00 1.00 C ATOM 148 C ASP A 10 4.090 8.175 1.756 1.00 1.00 C ATOM 149 O ASP A 10 4.866 7.793 0.879 1.00 1.00 O ATOM 150 CB ASP A 10 4.954 10.501 1.488 1.00 1.00 C ATOM 151 CG ASP A 10 6.035 10.425 2.561 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.385 9.321 2.945 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.496 11.472 2.986 1.00 1.00 O ATOM 0 H ASP A 10 3.639 9.245 3.960 1.00 1.00 H new ATOM 0 HA ASP A 10 2.901 9.885 1.260 1.00 1.00 H new ATOM 0 HB2 ASP A 10 5.348 10.146 0.536 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.648 11.537 1.340 1.00 1.00 H new ATOM 158 N THR A 11 3.507 7.349 2.616 1.00 1.00 N ATOM 159 CA THR A 11 3.757 5.913 2.572 1.00 1.00 C ATOM 160 C THR A 11 2.564 5.143 3.128 1.00 1.00 C ATOM 161 O THR A 11 1.985 5.527 4.142 1.00 1.00 O ATOM 162 CB THR A 11 5.008 5.577 3.388 1.00 1.00 C ATOM 163 OG1 THR A 11 6.166 5.845 2.610 1.00 1.00 O ATOM 164 CG2 THR A 11 4.985 4.099 3.780 1.00 1.00 C ATOM 0 H THR A 11 2.862 7.646 3.348 1.00 1.00 H new ATOM 0 HA THR A 11 3.910 5.621 1.533 1.00 1.00 H new ATOM 0 HB THR A 11 5.027 6.188 4.290 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.967 5.632 3.132 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.877 3.863 4.361 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.097 3.895 4.379 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.965 3.484 2.880 1.00 1.00 H new ATOM 172 N ILE A 12 2.209 4.052 2.457 1.00 1.00 N ATOM 173 CA ILE A 12 1.088 3.227 2.888 1.00 1.00 C ATOM 174 C ILE A 12 1.594 1.919 3.486 1.00 1.00 C ATOM 175 O ILE A 12 2.725 1.506 3.227 1.00 1.00 O ATOM 176 CB ILE A 12 0.175 2.927 1.697 1.00 1.00 C ATOM 177 CG1 ILE A 12 1.027 2.698 0.448 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.768 4.107 1.461 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.157 2.105 -0.661 1.00 1.00 C ATOM 0 H ILE A 12 2.680 3.720 1.615 1.00 1.00 H new ATOM 0 HA ILE A 12 0.526 3.770 3.648 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.412 2.033 1.908 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.466 3.639 0.117 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.853 2.024 0.677 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.417 3.890 0.612 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.376 4.270 2.351 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.184 5.003 1.252 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.764 1.942 -1.552 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.261 1.155 -0.327 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.653 2.795 -0.896 1.00 1.00 H new ATOM 191 N ILE A 13 0.750 1.271 4.279 1.00 1.00 N ATOM 192 CA ILE A 13 1.125 0.005 4.902 1.00 1.00 C ATOM 193 C ILE A 13 -0.028 -0.987 4.837 1.00 1.00 C ATOM 194 O ILE A 13 -1.191 -0.621 5.002 1.00 1.00 O ATOM 195 CB ILE A 13 1.538 0.229 6.362 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.524 -0.864 6.781 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.309 0.174 7.274 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.663 -0.875 8.305 1.00 1.00 C ATOM 0 H ILE A 13 -0.190 1.596 4.505 1.00 1.00 H new ATOM 0 HA ILE A 13 1.972 -0.406 4.353 1.00 1.00 H new ATOM 0 HB ILE A 13 2.006 1.209 6.452 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.176 -1.836 6.431 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.495 -0.688 6.319 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.615 0.334 8.308 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.397 0.951 6.980 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.167 -0.802 7.184 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.366 -1.654 8.601 1.00 1.00 H new ATOM 0 HD12 ILE A 13 3.031 0.093 8.644 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.691 -1.072 8.758 1.00 1.00 H new ATOM 210 N LEU A 14 0.304 -2.250 4.594 1.00 1.00 N ATOM 211 CA LEU A 14 -0.708 -3.291 4.510 1.00 1.00 C ATOM 212 C LEU A 14 -0.828 -4.017 5.845 1.00 1.00 C ATOM 213 O LEU A 14 0.128 -4.062 6.621 1.00 1.00 O ATOM 214 CB LEU A 14 -0.342 -4.289 3.411 1.00 1.00 C ATOM 215 CG LEU A 14 0.120 -3.528 2.168 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.353 -4.515 1.022 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.958 -2.520 1.760 1.00 1.00 C ATOM 0 H LEU A 14 1.261 -2.574 4.453 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.666 -2.829 4.270 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.448 -4.955 3.758 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.202 -4.913 3.170 1.00 1.00 H new ATOM 0 HG LEU A 14 1.049 -3.001 2.388 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.682 -3.972 0.136 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.118 -5.235 1.312 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.575 -5.042 0.801 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.631 -1.976 0.874 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.886 -3.048 1.540 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.126 -1.817 2.576 1.00 1.00 H new ATOM 229 N ARG A 15 -2.006 -4.577 6.106 1.00 1.00 N ATOM 230 CA ARG A 15 -2.245 -5.292 7.354 1.00 1.00 C ATOM 231 C ARG A 15 -2.789 -6.685 7.073 1.00 1.00 C ATOM 232 O ARG A 15 -3.519 -6.892 6.104 1.00 1.00 O ATOM 233 CB ARG A 15 -3.234 -4.501 8.218 1.00 1.00 C ATOM 234 CG ARG A 15 -4.013 -5.445 9.142 1.00 1.00 C ATOM 235 CD ARG A 15 -4.666 -4.631 10.263 1.00 1.00 C ATOM 236 NE ARG A 15 -3.820 -4.647 11.450 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.100 -3.891 12.507 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.151 -3.118 12.495 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.324 -3.922 13.555 1.00 1.00 N ATOM 0 H ARG A 15 -2.805 -4.549 5.473 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.302 -5.394 7.891 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.697 -3.762 8.812 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.927 -3.954 7.579 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.774 -5.981 8.575 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.343 -6.194 9.564 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.824 -3.604 9.933 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.646 -5.044 10.500 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.997 -5.250 11.470 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.757 -3.094 11.675 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.367 -2.538 13.306 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.502 -4.526 13.563 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.539 -3.342 14.366 1.00 1.00 H new ATOM 253 N ASN A 16 -2.425 -7.632 7.928 1.00 1.00 N ATOM 254 CA ASN A 16 -2.879 -9.008 7.776 1.00 1.00 C ATOM 255 C ASN A 16 -2.407 -9.591 6.448 1.00 1.00 C ATOM 256 O ASN A 16 -3.210 -9.845 5.551 1.00 1.00 O ATOM 257 CB ASN A 16 -4.407 -9.056 7.850 1.00 1.00 C ATOM 258 CG ASN A 16 -4.882 -10.497 7.981 1.00 1.00 C ATOM 259 OD1 ASN A 16 -4.436 -11.223 8.868 1.00 1.00 O ATOM 260 ND2 ASN A 16 -5.780 -10.953 7.152 1.00 1.00 N ATOM 0 H ASN A 16 -1.818 -7.473 8.732 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.455 -9.605 8.583 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -4.756 -8.472 8.701 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.836 -8.604 6.956 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.113 -11.913 7.239 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.149 -10.349 6.417 1.00 1.00 H new ATOM 267 N ILE A 17 -1.099 -9.806 6.331 1.00 1.00 N ATOM 268 CA ILE A 17 -0.531 -10.367 5.109 1.00 1.00 C ATOM 269 C ILE A 17 -0.307 -11.867 5.271 1.00 1.00 C ATOM 270 O ILE A 17 0.000 -12.343 6.364 1.00 1.00 O ATOM 271 CB ILE A 17 0.801 -9.682 4.779 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.572 -8.190 4.515 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.423 -10.343 3.547 1.00 1.00 C ATOM 274 CD1 ILE A 17 0.249 -7.958 3.034 1.00 1.00 C ATOM 0 H ILE A 17 -0.417 -9.602 7.062 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.233 -10.196 4.293 1.00 1.00 H new ATOM 0 HB ILE A 17 1.480 -9.788 5.625 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.247 -7.825 5.135 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.460 -7.623 4.794 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.370 -9.857 3.312 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.599 -11.399 3.750 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.744 -10.245 2.700 1.00 1.00 H new ATOM 0 HD11 ILE A 17 0.088 -6.894 2.859 1.00 1.00 H new ATOM 0 HD12 ILE A 17 1.081 -8.305 2.421 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.652 -8.510 2.767 1.00 1.00 H new ATOM 286 N ALA A 18 -0.467 -12.610 4.179 1.00 1.00 N ATOM 287 CA ALA A 18 -0.286 -14.060 4.220 1.00 1.00 C ATOM 288 C ALA A 18 1.183 -14.419 4.457 1.00 1.00 C ATOM 289 O ALA A 18 2.073 -13.597 4.238 1.00 1.00 O ATOM 290 CB ALA A 18 -0.757 -14.683 2.905 1.00 1.00 C ATOM 0 H ALA A 18 -0.719 -12.238 3.263 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.880 -14.454 5.045 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.619 -15.763 2.944 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.813 -14.458 2.753 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.176 -14.272 2.079 1.00 1.00 H new ATOM 296 N PRO A 19 1.452 -15.626 4.895 1.00 1.00 N ATOM 297 CA PRO A 19 2.845 -16.097 5.162 1.00 1.00 C ATOM 298 C PRO A 19 3.619 -16.389 3.877 1.00 1.00 C ATOM 299 O PRO A 19 4.828 -16.613 3.909 1.00 1.00 O ATOM 300 CB PRO A 19 2.640 -17.382 5.966 1.00 1.00 C ATOM 301 CG PRO A 19 1.309 -17.900 5.536 1.00 1.00 C ATOM 302 CD PRO A 19 0.459 -16.678 5.187 1.00 1.00 C ATOM 0 HA PRO A 19 3.435 -15.342 5.682 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.429 -18.105 5.762 1.00 1.00 H new ATOM 0 HB3 PRO A 19 2.659 -17.184 7.038 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.410 -18.561 4.675 1.00 1.00 H new ATOM 0 HG3 PRO A 19 0.844 -18.482 6.332 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.183 -16.870 4.328 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -0.192 -16.395 6.014 1.00 1.00 H new ATOM 310 N HIS A 20 2.912 -16.393 2.751 1.00 1.00 N ATOM 311 CA HIS A 20 3.542 -16.669 1.464 1.00 1.00 C ATOM 312 C HIS A 20 3.714 -15.387 0.659 1.00 1.00 C ATOM 313 O HIS A 20 3.807 -15.422 -0.569 1.00 1.00 O ATOM 314 CB HIS A 20 2.685 -17.655 0.671 1.00 1.00 C ATOM 315 CG HIS A 20 3.531 -18.336 -0.368 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.553 -17.681 -1.038 1.00 1.00 N ATOM 317 CD2 HIS A 20 3.520 -19.617 -0.864 1.00 1.00 C ATOM 318 CE1 HIS A 20 5.108 -18.561 -1.891 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.517 -19.756 -1.825 1.00 1.00 N ATOM 0 H HIS A 20 1.910 -16.210 2.703 1.00 1.00 H new ATOM 0 HA HIS A 20 4.526 -17.100 1.649 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.249 -18.395 1.342 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.857 -17.131 0.194 1.00 1.00 H new ATOM 0 HD1 HIS A 20 4.833 -16.709 -0.908 1.00 1.00 H new ATOM 0 HD2 HIS A 20 2.841 -20.398 -0.555 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.932 -18.329 -2.549 1.00 1.00 H new ATOM 327 N THR A 21 3.751 -14.258 1.354 1.00 1.00 N ATOM 328 CA THR A 21 3.906 -12.970 0.685 1.00 1.00 C ATOM 329 C THR A 21 5.380 -12.633 0.483 1.00 1.00 C ATOM 330 O THR A 21 6.182 -12.726 1.412 1.00 1.00 O ATOM 331 CB THR A 21 3.236 -11.871 1.508 1.00 1.00 C ATOM 332 OG1 THR A 21 1.857 -12.175 1.657 1.00 1.00 O ATOM 333 CG2 THR A 21 3.392 -10.529 0.793 1.00 1.00 C ATOM 0 H THR A 21 3.677 -14.205 2.370 1.00 1.00 H new ATOM 0 HA THR A 21 3.429 -13.035 -0.293 1.00 1.00 H new ATOM 0 HB THR A 21 3.705 -11.811 2.490 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.335 -11.650 1.015 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.914 -9.746 1.381 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.451 -10.300 0.677 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.922 -10.583 -0.189 1.00 1.00 H new ATOM 341 N VAL A 22 5.725 -12.236 -0.738 1.00 1.00 N ATOM 342 CA VAL A 22 7.101 -11.880 -1.059 1.00 1.00 C ATOM 343 C VAL A 22 7.139 -10.589 -1.872 1.00 1.00 C ATOM 344 O VAL A 22 6.103 -9.976 -2.127 1.00 1.00 O ATOM 345 CB VAL A 22 7.763 -13.005 -1.856 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.810 -13.703 -0.985 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.699 -14.018 -2.283 1.00 1.00 C ATOM 0 H VAL A 22 5.073 -12.153 -1.518 1.00 1.00 H new ATOM 0 HA VAL A 22 7.645 -11.730 -0.127 1.00 1.00 H new ATOM 0 HB VAL A 22 8.247 -12.588 -2.739 1.00 1.00 H new ATOM 0 HG11 VAL A 22 9.281 -14.504 -1.554 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.568 -12.982 -0.679 1.00 1.00 H new ATOM 0 HG13 VAL A 22 8.328 -14.121 -0.101 1.00 1.00 H new ATOM 0 HG21 VAL A 22 7.168 -14.821 -2.851 1.00 1.00 H new ATOM 0 HG22 VAL A 22 6.217 -14.434 -1.398 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.953 -13.522 -2.904 1.00 1.00 H new ATOM 357 N VAL A 23 8.338 -10.182 -2.276 1.00 1.00 N ATOM 358 CA VAL A 23 8.492 -8.961 -3.059 1.00 1.00 C ATOM 359 C VAL A 23 8.023 -9.180 -4.494 1.00 1.00 C ATOM 360 O VAL A 23 7.632 -8.235 -5.181 1.00 1.00 O ATOM 361 CB VAL A 23 9.959 -8.525 -3.060 1.00 1.00 C ATOM 362 CG1 VAL A 23 10.055 -7.059 -3.486 1.00 1.00 C ATOM 363 CG2 VAL A 23 10.541 -8.687 -1.655 1.00 1.00 C ATOM 0 H VAL A 23 9.209 -10.674 -2.077 1.00 1.00 H new ATOM 0 HA VAL A 23 7.880 -8.181 -2.605 1.00 1.00 H new ATOM 0 HB VAL A 23 10.521 -9.144 -3.759 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.100 -6.748 -3.487 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.641 -6.943 -4.488 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.493 -6.440 -2.787 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.586 -8.376 -1.656 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.979 -8.069 -0.955 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.473 -9.732 -1.351 1.00 1.00 H new ATOM 373 N ASP A 24 8.065 -10.431 -4.941 1.00 1.00 N ATOM 374 CA ASP A 24 7.643 -10.763 -6.297 1.00 1.00 C ATOM 375 C ASP A 24 6.141 -10.555 -6.463 1.00 1.00 C ATOM 376 O ASP A 24 5.701 -9.810 -7.338 1.00 1.00 O ATOM 377 CB ASP A 24 7.996 -12.218 -6.609 1.00 1.00 C ATOM 378 CG ASP A 24 7.955 -12.454 -8.116 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.604 -11.707 -8.830 1.00 1.00 O ATOM 380 OD2 ASP A 24 7.275 -13.377 -8.532 1.00 1.00 O ATOM 0 H ASP A 24 8.385 -11.227 -4.388 1.00 1.00 H new ATOM 0 HA ASP A 24 8.165 -10.103 -6.990 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.989 -12.451 -6.223 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.295 -12.886 -6.109 1.00 1.00 H new ATOM 385 N SER A 25 5.360 -11.220 -5.619 1.00 1.00 N ATOM 386 CA SER A 25 3.906 -11.103 -5.683 1.00 1.00 C ATOM 387 C SER A 25 3.474 -9.648 -5.524 1.00 1.00 C ATOM 388 O SER A 25 2.660 -9.145 -6.298 1.00 1.00 O ATOM 389 CB SER A 25 3.267 -11.949 -4.582 1.00 1.00 C ATOM 390 OG SER A 25 4.110 -13.057 -4.293 1.00 1.00 O ATOM 0 H SER A 25 5.705 -11.841 -4.887 1.00 1.00 H new ATOM 0 HA SER A 25 3.575 -11.462 -6.658 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.117 -11.347 -3.685 1.00 1.00 H new ATOM 0 HB3 SER A 25 2.284 -12.298 -4.899 1.00 1.00 H new ATOM 0 HG SER A 25 3.704 -13.601 -3.586 1.00 1.00 H new ATOM 396 N ILE A 26 4.021 -8.981 -4.513 1.00 1.00 N ATOM 397 CA ILE A 26 3.681 -7.586 -4.258 1.00 1.00 C ATOM 398 C ILE A 26 3.811 -6.755 -5.531 1.00 1.00 C ATOM 399 O ILE A 26 3.002 -5.862 -5.786 1.00 1.00 O ATOM 400 CB ILE A 26 4.605 -7.015 -3.180 1.00 1.00 C ATOM 401 CG1 ILE A 26 4.280 -7.667 -1.829 1.00 1.00 C ATOM 402 CG2 ILE A 26 4.416 -5.498 -3.091 1.00 1.00 C ATOM 403 CD1 ILE A 26 3.195 -6.866 -1.099 1.00 1.00 C ATOM 0 H ILE A 26 4.697 -9.380 -3.861 1.00 1.00 H new ATOM 0 HA ILE A 26 2.647 -7.542 -3.916 1.00 1.00 H new ATOM 0 HB ILE A 26 5.642 -7.228 -3.438 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.943 -8.692 -1.984 1.00 1.00 H new ATOM 0 HG13 ILE A 26 5.180 -7.717 -1.216 1.00 1.00 H new ATOM 0 HG21 ILE A 26 5.075 -5.094 -2.323 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.658 -5.044 -4.052 1.00 1.00 H new ATOM 0 HG23 ILE A 26 3.380 -5.275 -2.835 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.974 -7.340 -0.142 1.00 1.00 H new ATOM 0 HD12 ILE A 26 3.547 -5.849 -0.927 1.00 1.00 H new ATOM 0 HD13 ILE A 26 2.291 -6.839 -1.708 1.00 1.00 H new ATOM 415 N MET A 27 4.834 -7.051 -6.326 1.00 1.00 N ATOM 416 CA MET A 27 5.062 -6.323 -7.570 1.00 1.00 C ATOM 417 C MET A 27 3.984 -6.653 -8.598 1.00 1.00 C ATOM 418 O MET A 27 3.289 -5.766 -9.095 1.00 1.00 O ATOM 419 CB MET A 27 6.436 -6.683 -8.140 1.00 1.00 C ATOM 420 CG MET A 27 7.521 -5.869 -7.434 1.00 1.00 C ATOM 421 SD MET A 27 7.904 -4.397 -8.415 1.00 1.00 S ATOM 422 CE MET A 27 9.631 -4.228 -7.905 1.00 1.00 C ATOM 0 H MET A 27 5.515 -7.785 -6.133 1.00 1.00 H new ATOM 0 HA MET A 27 5.023 -5.256 -7.352 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.626 -7.748 -8.010 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.459 -6.484 -9.211 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.183 -5.579 -6.439 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.417 -6.475 -7.302 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.074 -3.364 -8.400 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.680 -4.091 -6.825 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.182 -5.127 -8.182 1.00 1.00 H new ATOM 432 N THR A 28 3.859 -7.936 -8.919 1.00 1.00 N ATOM 433 CA THR A 28 2.874 -8.382 -9.898 1.00 1.00 C ATOM 434 C THR A 28 1.452 -8.059 -9.442 1.00 1.00 C ATOM 435 O THR A 28 0.539 -7.955 -10.261 1.00 1.00 O ATOM 436 CB THR A 28 3.007 -9.892 -10.114 1.00 1.00 C ATOM 437 OG1 THR A 28 4.381 -10.252 -10.087 1.00 1.00 O ATOM 438 CG2 THR A 28 2.404 -10.271 -11.466 1.00 1.00 C ATOM 0 H THR A 28 4.425 -8.683 -8.517 1.00 1.00 H new ATOM 0 HA THR A 28 3.064 -7.853 -10.832 1.00 1.00 H new ATOM 0 HB THR A 28 2.477 -10.421 -9.323 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.469 -11.219 -10.223 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.499 -11.346 -11.618 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.350 -9.994 -11.485 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.932 -9.744 -12.261 1.00 1.00 H new ATOM 446 N ALA A 29 1.266 -7.921 -8.134 1.00 1.00 N ATOM 447 CA ALA A 29 -0.059 -7.630 -7.588 1.00 1.00 C ATOM 448 C ALA A 29 -0.399 -6.144 -7.690 1.00 1.00 C ATOM 449 O ALA A 29 -1.562 -5.779 -7.862 1.00 1.00 O ATOM 450 CB ALA A 29 -0.119 -8.065 -6.123 1.00 1.00 C ATOM 0 H ALA A 29 2.006 -8.004 -7.437 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.790 -8.185 -8.176 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.108 -7.847 -5.719 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.073 -9.136 -6.053 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.634 -7.523 -5.551 1.00 1.00 H new ATOM 456 N LEU A 30 0.613 -5.291 -7.566 1.00 1.00 N ATOM 457 CA LEU A 30 0.395 -3.845 -7.629 1.00 1.00 C ATOM 458 C LEU A 30 0.829 -3.275 -8.979 1.00 1.00 C ATOM 459 O LEU A 30 0.868 -2.058 -9.163 1.00 1.00 O ATOM 460 CB LEU A 30 1.176 -3.153 -6.509 1.00 1.00 C ATOM 461 CG LEU A 30 0.491 -3.411 -5.160 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.397 -2.921 -4.029 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.851 -2.668 -5.087 1.00 1.00 C ATOM 0 H LEU A 30 1.584 -5.569 -7.423 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.672 -3.661 -7.506 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.200 -3.525 -6.484 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.231 -2.081 -6.700 1.00 1.00 H new ATOM 0 HG LEU A 30 0.310 -4.481 -5.059 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.912 -3.103 -3.070 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.345 -3.457 -4.064 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.580 -1.853 -4.146 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.323 -2.862 -4.124 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.681 -1.597 -5.198 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.504 -3.016 -5.887 1.00 1.00 H new ATOM 475 N SER A 31 1.163 -4.155 -9.916 1.00 1.00 N ATOM 476 CA SER A 31 1.606 -3.720 -11.238 1.00 1.00 C ATOM 477 C SER A 31 0.530 -2.904 -11.960 1.00 1.00 C ATOM 478 O SER A 31 0.796 -1.790 -12.410 1.00 1.00 O ATOM 479 CB SER A 31 1.994 -4.931 -12.089 1.00 1.00 C ATOM 480 OG SER A 31 1.626 -6.121 -11.407 1.00 1.00 O ATOM 0 H SER A 31 1.136 -5.167 -9.788 1.00 1.00 H new ATOM 0 HA SER A 31 2.475 -3.077 -11.097 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.496 -4.884 -13.057 1.00 1.00 H new ATOM 0 HB3 SER A 31 3.067 -4.926 -12.282 1.00 1.00 H new ATOM 0 HG SER A 31 1.429 -6.825 -12.060 1.00 1.00 H new ATOM 486 N PRO A 32 -0.669 -3.424 -12.090 1.00 1.00 N ATOM 487 CA PRO A 32 -1.776 -2.706 -12.788 1.00 1.00 C ATOM 488 C PRO A 32 -2.413 -1.633 -11.914 1.00 1.00 C ATOM 489 O PRO A 32 -3.300 -0.903 -12.357 1.00 1.00 O ATOM 490 CB PRO A 32 -2.775 -3.817 -13.099 1.00 1.00 C ATOM 491 CG PRO A 32 -2.576 -4.833 -12.024 1.00 1.00 C ATOM 492 CD PRO A 32 -1.110 -4.742 -11.595 1.00 1.00 C ATOM 0 HA PRO A 32 -1.426 -2.173 -13.672 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.797 -3.439 -13.099 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.593 -4.246 -14.085 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.238 -4.638 -11.181 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.811 -5.833 -12.389 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.007 -4.816 -10.512 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.518 -5.548 -12.027 1.00 1.00 H new ATOM 500 N TYR A 33 -1.962 -1.547 -10.669 1.00 1.00 N ATOM 501 CA TYR A 33 -2.503 -0.563 -9.740 1.00 1.00 C ATOM 502 C TYR A 33 -1.586 0.653 -9.633 1.00 1.00 C ATOM 503 O TYR A 33 -2.043 1.760 -9.342 1.00 1.00 O ATOM 504 CB TYR A 33 -2.682 -1.196 -8.360 1.00 1.00 C ATOM 505 CG TYR A 33 -3.789 -2.221 -8.419 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.498 -3.554 -8.736 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.108 -1.836 -8.156 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.528 -4.501 -8.788 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.138 -2.783 -8.208 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.847 -4.116 -8.525 1.00 1.00 C ATOM 511 OH TYR A 33 -6.863 -5.050 -8.577 1.00 1.00 O ATOM 0 H TYR A 33 -1.229 -2.141 -10.281 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.470 -0.232 -10.119 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.752 -1.666 -8.040 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.921 -0.429 -7.624 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.480 -3.851 -8.940 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.332 -0.808 -7.913 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.304 -5.529 -9.031 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.156 -2.486 -8.004 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.717 -4.617 -8.367 1.00 1.00 H new ATOM 521 N ALA A 34 -0.294 0.447 -9.868 1.00 1.00 N ATOM 522 CA ALA A 34 0.667 1.541 -9.793 1.00 1.00 C ATOM 523 C ALA A 34 2.091 1.020 -9.962 1.00 1.00 C ATOM 524 O ALA A 34 2.305 -0.178 -10.148 1.00 1.00 O ATOM 525 CB ALA A 34 0.540 2.256 -8.447 1.00 1.00 C ATOM 0 H ALA A 34 0.109 -0.458 -10.110 1.00 1.00 H new ATOM 0 HA ALA A 34 0.452 2.242 -10.599 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.261 3.072 -8.399 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.468 2.656 -8.341 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.736 1.550 -7.640 1.00 1.00 H new ATOM 531 N SER A 35 3.057 1.931 -9.892 1.00 1.00 N ATOM 532 CA SER A 35 4.462 1.564 -10.035 1.00 1.00 C ATOM 533 C SER A 35 5.203 1.772 -8.719 1.00 1.00 C ATOM 534 O SER A 35 5.094 2.830 -8.097 1.00 1.00 O ATOM 535 CB SER A 35 5.114 2.412 -11.127 1.00 1.00 C ATOM 536 OG SER A 35 5.179 1.659 -12.331 1.00 1.00 O ATOM 0 H SER A 35 2.893 2.926 -9.738 1.00 1.00 H new ATOM 0 HA SER A 35 4.518 0.511 -10.311 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.540 3.325 -11.286 1.00 1.00 H new ATOM 0 HB3 SER A 35 6.115 2.715 -10.819 1.00 1.00 H new ATOM 0 HG SER A 35 5.595 2.201 -13.034 1.00 1.00 H new ATOM 542 N LEU A 36 5.953 0.756 -8.303 1.00 1.00 N ATOM 543 CA LEU A 36 6.711 0.829 -7.059 1.00 1.00 C ATOM 544 C LEU A 36 8.208 0.825 -7.346 1.00 1.00 C ATOM 545 O LEU A 36 8.629 0.854 -8.502 1.00 1.00 O ATOM 546 CB LEU A 36 6.358 -0.356 -6.152 1.00 1.00 C ATOM 547 CG LEU A 36 5.604 -1.422 -6.953 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.559 -2.720 -6.147 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.172 -0.953 -7.226 1.00 1.00 C ATOM 0 H LEU A 36 6.052 -0.125 -8.808 1.00 1.00 H new ATOM 0 HA LEU A 36 6.450 1.758 -6.553 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.267 -0.783 -5.728 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.746 -0.016 -5.317 1.00 1.00 H new ATOM 0 HG LEU A 36 6.117 -1.588 -7.900 1.00 1.00 H new ATOM 0 HD11 LEU A 36 5.023 -3.482 -6.713 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.575 -3.062 -5.951 1.00 1.00 H new ATOM 0 HD13 LEU A 36 5.046 -2.543 -5.201 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.642 -1.716 -7.796 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.658 -0.784 -6.280 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.196 -0.025 -7.797 1.00 1.00 H new ATOM 561 N ALA A 37 9.007 0.788 -6.285 1.00 1.00 N ATOM 562 CA ALA A 37 10.457 0.780 -6.434 1.00 1.00 C ATOM 563 C ALA A 37 11.092 -0.106 -5.365 1.00 1.00 C ATOM 564 O ALA A 37 10.801 0.033 -4.177 1.00 1.00 O ATOM 565 CB ALA A 37 11.003 2.207 -6.327 1.00 1.00 C ATOM 0 H ALA A 37 8.678 0.763 -5.320 1.00 1.00 H new ATOM 0 HA ALA A 37 10.707 0.378 -7.416 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.087 2.191 -6.439 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.566 2.824 -7.112 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.745 2.623 -5.353 1.00 1.00 H new ATOM 571 N VAL A 38 11.949 -1.025 -5.799 1.00 1.00 N ATOM 572 CA VAL A 38 12.612 -1.943 -4.878 1.00 1.00 C ATOM 573 C VAL A 38 13.223 -1.197 -3.691 1.00 1.00 C ATOM 574 O VAL A 38 13.189 -1.683 -2.560 1.00 1.00 O ATOM 575 CB VAL A 38 13.711 -2.709 -5.614 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.441 -3.625 -4.631 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.086 -3.554 -6.728 1.00 1.00 C ATOM 0 H VAL A 38 12.200 -1.154 -6.779 1.00 1.00 H new ATOM 0 HA VAL A 38 11.862 -2.638 -4.499 1.00 1.00 H new ATOM 0 HB VAL A 38 14.419 -2.002 -6.046 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.225 -4.171 -5.156 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.886 -3.025 -3.837 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.733 -4.332 -4.198 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.869 -4.100 -7.253 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.378 -4.261 -6.295 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.565 -2.903 -7.430 1.00 1.00 H new ATOM 587 N ASN A 39 13.794 -0.028 -3.957 1.00 1.00 N ATOM 588 CA ASN A 39 14.426 0.763 -2.904 1.00 1.00 C ATOM 589 C ASN A 39 13.400 1.583 -2.125 1.00 1.00 C ATOM 590 O ASN A 39 13.765 2.371 -1.252 1.00 1.00 O ATOM 591 CB ASN A 39 15.465 1.703 -3.518 1.00 1.00 C ATOM 592 CG ASN A 39 16.233 2.422 -2.415 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.961 1.789 -1.650 1.00 1.00 O ATOM 594 ND2 ASN A 39 16.112 3.715 -2.286 1.00 1.00 N ATOM 0 H ASN A 39 13.833 0.392 -4.886 1.00 1.00 H new ATOM 0 HA ASN A 39 14.907 0.073 -2.211 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.155 1.137 -4.144 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.973 2.430 -4.164 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.621 4.204 -1.550 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.508 4.237 -2.921 1.00 1.00 H new ATOM 601 N ASN A 40 12.121 1.398 -2.447 1.00 1.00 N ATOM 602 CA ASN A 40 11.053 2.137 -1.770 1.00 1.00 C ATOM 603 C ASN A 40 10.103 1.184 -1.046 1.00 1.00 C ATOM 604 O ASN A 40 9.120 1.621 -0.448 1.00 1.00 O ATOM 605 CB ASN A 40 10.261 2.962 -2.796 1.00 1.00 C ATOM 606 CG ASN A 40 10.020 4.391 -2.310 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.295 4.726 -1.159 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.510 5.259 -3.141 1.00 1.00 N ATOM 0 H ASN A 40 11.799 0.749 -3.165 1.00 1.00 H new ATOM 0 HA ASN A 40 11.510 2.799 -1.035 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.804 2.986 -3.741 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.304 2.478 -2.991 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.339 6.217 -2.836 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.283 4.979 -4.095 1.00 1.00 H new ATOM 615 N ILE A 41 10.397 -0.114 -1.102 1.00 1.00 N ATOM 616 CA ILE A 41 9.555 -1.105 -0.449 1.00 1.00 C ATOM 617 C ILE A 41 10.402 -2.089 0.354 1.00 1.00 C ATOM 618 O ILE A 41 11.384 -2.634 -0.150 1.00 1.00 O ATOM 619 CB ILE A 41 8.734 -1.859 -1.495 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.647 -2.763 -2.327 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.037 -0.855 -2.416 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.886 -3.261 -3.558 1.00 1.00 C ATOM 0 H ILE A 41 11.206 -0.498 -1.590 1.00 1.00 H new ATOM 0 HA ILE A 41 8.882 -0.589 0.236 1.00 1.00 H new ATOM 0 HB ILE A 41 7.989 -2.473 -0.989 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.538 -2.215 -2.634 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.984 -3.609 -1.727 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.451 -1.392 -3.162 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.378 -0.218 -1.827 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.785 -0.240 -2.916 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.535 -3.905 -4.151 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.009 -3.824 -3.240 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.571 -2.409 -4.161 1.00 1.00 H new ATOM 634 N ARG A 42 10.010 -2.307 1.605 1.00 1.00 N ATOM 635 CA ARG A 42 10.732 -3.225 2.480 1.00 1.00 C ATOM 636 C ARG A 42 9.760 -4.165 3.182 1.00 1.00 C ATOM 637 O ARG A 42 8.932 -3.731 3.984 1.00 1.00 O ATOM 638 CB ARG A 42 11.528 -2.438 3.522 1.00 1.00 C ATOM 639 CG ARG A 42 12.314 -3.409 4.405 1.00 1.00 C ATOM 640 CD ARG A 42 13.440 -2.657 5.116 1.00 1.00 C ATOM 641 NE ARG A 42 14.514 -2.350 4.179 1.00 1.00 N ATOM 642 CZ ARG A 42 15.406 -1.401 4.445 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.331 -0.726 5.559 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.358 -1.143 3.589 1.00 1.00 N ATOM 0 H ARG A 42 9.199 -1.862 2.035 1.00 1.00 H new ATOM 0 HA ARG A 42 11.418 -3.815 1.872 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.210 -1.746 3.028 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.854 -1.838 4.133 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.651 -3.869 5.138 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.727 -4.215 3.799 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.053 -1.735 5.551 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.826 -3.260 5.938 1.00 1.00 H new ATOM 0 HE ARG A 42 14.582 -2.872 3.305 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.587 -0.926 6.227 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.016 0.002 5.761 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.417 -1.669 2.717 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.043 -0.415 3.792 1.00 1.00 H new ATOM 658 N LEU A 43 9.863 -5.455 2.878 1.00 1.00 N ATOM 659 CA LEU A 43 8.985 -6.443 3.492 1.00 1.00 C ATOM 660 C LEU A 43 9.617 -7.000 4.761 1.00 1.00 C ATOM 661 O LEU A 43 10.616 -7.718 4.706 1.00 1.00 O ATOM 662 CB LEU A 43 8.714 -7.584 2.508 1.00 1.00 C ATOM 663 CG LEU A 43 7.777 -8.606 3.153 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.646 -8.945 2.182 1.00 1.00 C ATOM 665 CD2 LEU A 43 8.562 -9.876 3.485 1.00 1.00 C ATOM 0 H LEU A 43 10.539 -5.837 2.217 1.00 1.00 H new ATOM 0 HA LEU A 43 8.044 -5.958 3.751 1.00 1.00 H new ATOM 0 HB2 LEU A 43 8.267 -7.192 1.595 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.651 -8.063 2.224 1.00 1.00 H new ATOM 0 HG LEU A 43 7.356 -8.188 4.068 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.978 -9.673 2.642 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.087 -8.040 1.944 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.065 -9.364 1.267 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.896 -10.606 3.945 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.982 -10.294 2.570 1.00 1.00 H new ATOM 0 HD23 LEU A 43 9.369 -9.635 4.177 1.00 1.00 H new ATOM 677 N ILE A 44 9.028 -6.665 5.903 1.00 1.00 N ATOM 678 CA ILE A 44 9.539 -7.136 7.183 1.00 1.00 C ATOM 679 C ILE A 44 9.486 -8.658 7.252 1.00 1.00 C ATOM 680 O ILE A 44 8.556 -9.276 6.732 1.00 1.00 O ATOM 681 CB ILE A 44 8.710 -6.541 8.325 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.419 -6.794 9.659 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.330 -7.199 8.348 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.968 -5.476 10.206 1.00 1.00 C ATOM 0 H ILE A 44 8.201 -6.072 5.968 1.00 1.00 H new ATOM 0 HA ILE A 44 10.576 -6.815 7.281 1.00 1.00 H new ATOM 0 HB ILE A 44 8.599 -5.468 8.172 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.724 -7.235 10.374 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.231 -7.508 9.521 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.739 -6.776 9.160 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.825 -7.018 7.399 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.441 -8.273 8.501 1.00 1.00 H new ATOM 0 HD11 ILE A 44 10.472 -5.658 11.155 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.677 -5.054 9.494 1.00 1.00 H new ATOM 0 HD13 ILE A 44 9.147 -4.776 10.360 1.00 1.00 H new ATOM 696 N LYS A 45 10.487 -9.254 7.895 1.00 1.00 N ATOM 697 CA LYS A 45 10.550 -10.706 8.032 1.00 1.00 C ATOM 698 C LYS A 45 10.558 -11.099 9.505 1.00 1.00 C ATOM 699 O LYS A 45 11.037 -10.346 10.354 1.00 1.00 O ATOM 700 CB LYS A 45 11.807 -11.241 7.344 1.00 1.00 C ATOM 701 CG LYS A 45 11.397 -12.111 6.152 1.00 1.00 C ATOM 702 CD LYS A 45 12.644 -12.583 5.397 1.00 1.00 C ATOM 703 CE LYS A 45 12.446 -12.365 3.895 1.00 1.00 C ATOM 704 NZ LYS A 45 13.669 -12.809 3.165 1.00 1.00 N ATOM 0 H LYS A 45 11.264 -8.755 8.328 1.00 1.00 H new ATOM 0 HA LYS A 45 9.670 -11.141 7.558 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.432 -10.414 7.008 1.00 1.00 H new ATOM 0 HB3 LYS A 45 12.401 -11.824 8.048 1.00 1.00 H new ATOM 0 HG2 LYS A 45 10.824 -12.971 6.498 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.749 -11.545 5.483 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.520 -12.034 5.742 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.828 -13.638 5.601 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.578 -12.924 3.546 1.00 1.00 H new ATOM 0 HE3 LYS A 45 12.250 -11.312 3.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.537 -12.662 2.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.488 -12.257 3.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.837 -13.819 3.350 1.00 1.00 H new ATOM 718 N ASP A 46 10.019 -12.279 9.802 1.00 1.00 N ATOM 719 CA ASP A 46 9.962 -12.762 11.179 1.00 1.00 C ATOM 720 C ASP A 46 10.928 -13.921 11.390 1.00 1.00 C ATOM 721 O ASP A 46 11.236 -14.665 10.459 1.00 1.00 O ATOM 722 CB ASP A 46 8.540 -13.219 11.511 1.00 1.00 C ATOM 723 CG ASP A 46 8.401 -13.433 13.015 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.129 -12.791 13.754 1.00 1.00 O ATOM 725 OD2 ASP A 46 7.574 -14.240 13.406 1.00 1.00 O ATOM 0 H ASP A 46 9.618 -12.915 9.113 1.00 1.00 H new ATOM 0 HA ASP A 46 10.250 -11.944 11.839 1.00 1.00 H new ATOM 0 HB2 ASP A 46 7.821 -12.473 11.173 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.313 -14.144 10.981 1.00 1.00 H new ATOM 730 N LYS A 47 11.404 -14.067 12.622 1.00 1.00 N ATOM 731 CA LYS A 47 12.335 -15.141 12.951 1.00 1.00 C ATOM 732 C LYS A 47 11.582 -16.387 13.409 1.00 1.00 C ATOM 733 O LYS A 47 12.177 -17.448 13.593 1.00 1.00 O ATOM 734 CB LYS A 47 13.287 -14.683 14.057 1.00 1.00 C ATOM 735 CG LYS A 47 14.733 -14.833 13.582 1.00 1.00 C ATOM 736 CD LYS A 47 15.686 -14.442 14.714 1.00 1.00 C ATOM 737 CE LYS A 47 16.146 -15.701 15.451 1.00 1.00 C ATOM 738 NZ LYS A 47 17.177 -16.404 14.636 1.00 1.00 N ATOM 0 H LYS A 47 11.163 -13.459 13.405 1.00 1.00 H new ATOM 0 HA LYS A 47 12.906 -15.387 12.056 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.085 -13.644 14.318 1.00 1.00 H new ATOM 0 HB3 LYS A 47 13.126 -15.275 14.958 1.00 1.00 H new ATOM 0 HG2 LYS A 47 14.921 -15.861 13.273 1.00 1.00 H new ATOM 0 HG3 LYS A 47 14.908 -14.202 12.711 1.00 1.00 H new ATOM 0 HD2 LYS A 47 16.547 -13.909 14.311 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.187 -13.764 15.406 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.556 -15.436 16.426 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.297 -16.361 15.631 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.704 -17.066 15.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 16.713 -16.930 13.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.834 -15.707 14.231 1.00 1.00 H new ATOM 752 N GLN A 48 10.273 -16.248 13.594 1.00 1.00 N ATOM 753 CA GLN A 48 9.452 -17.372 14.035 1.00 1.00 C ATOM 754 C GLN A 48 8.996 -18.204 12.841 1.00 1.00 C ATOM 755 O GLN A 48 9.266 -19.403 12.770 1.00 1.00 O ATOM 756 CB GLN A 48 8.229 -16.858 14.800 1.00 1.00 C ATOM 757 CG GLN A 48 7.773 -17.914 15.811 1.00 1.00 C ATOM 758 CD GLN A 48 8.767 -17.998 16.963 1.00 1.00 C ATOM 759 OE1 GLN A 48 9.270 -19.078 17.273 1.00 1.00 O ATOM 760 NE2 GLN A 48 9.090 -16.915 17.616 1.00 1.00 N ATOM 0 H GLN A 48 9.761 -15.378 13.447 1.00 1.00 H new ATOM 0 HA GLN A 48 10.053 -18.001 14.692 1.00 1.00 H new ATOM 0 HB2 GLN A 48 8.474 -15.929 15.315 1.00 1.00 H new ATOM 0 HB3 GLN A 48 7.421 -16.633 14.104 1.00 1.00 H new ATOM 0 HG2 GLN A 48 6.783 -17.661 16.192 1.00 1.00 H new ATOM 0 HG3 GLN A 48 7.688 -18.884 15.322 1.00 1.00 H new ATOM 0 HE21 GLN A 48 8.673 -16.021 17.358 1.00 1.00 H new ATOM 0 HE22 GLN A 48 9.760 -16.963 18.384 1.00 1.00 H new ATOM 769 N THR A 49 8.307 -17.561 11.904 1.00 1.00 N ATOM 770 CA THR A 49 7.824 -18.255 10.716 1.00 1.00 C ATOM 771 C THR A 49 8.750 -17.991 9.534 1.00 1.00 C ATOM 772 O THR A 49 8.375 -18.195 8.381 1.00 1.00 O ATOM 773 CB THR A 49 6.404 -17.789 10.377 1.00 1.00 C ATOM 774 OG1 THR A 49 6.010 -16.775 11.290 1.00 1.00 O ATOM 775 CG2 THR A 49 5.440 -18.971 10.480 1.00 1.00 C ATOM 0 H THR A 49 8.072 -16.569 11.943 1.00 1.00 H new ATOM 0 HA THR A 49 7.811 -19.326 10.920 1.00 1.00 H new ATOM 0 HB THR A 49 6.384 -17.393 9.362 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.103 -16.475 11.074 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.430 -18.639 10.239 1.00 1.00 H new ATOM 0 HG22 THR A 49 5.743 -19.750 9.780 1.00 1.00 H new ATOM 0 HG23 THR A 49 5.459 -19.368 11.495 1.00 1.00 H new ATOM 783 N GLN A 50 9.965 -17.535 9.833 1.00 1.00 N ATOM 784 CA GLN A 50 10.943 -17.243 8.789 1.00 1.00 C ATOM 785 C GLN A 50 10.263 -16.543 7.620 1.00 1.00 C ATOM 786 O GLN A 50 10.675 -16.680 6.468 1.00 1.00 O ATOM 787 CB GLN A 50 11.599 -18.541 8.311 1.00 1.00 C ATOM 788 CG GLN A 50 12.710 -18.941 9.283 1.00 1.00 C ATOM 789 CD GLN A 50 12.136 -19.138 10.682 1.00 1.00 C ATOM 790 OE1 GLN A 50 11.814 -18.166 11.365 1.00 1.00 O ATOM 791 NE2 GLN A 50 11.993 -20.347 11.154 1.00 1.00 N ATOM 0 H GLN A 50 10.293 -17.361 10.783 1.00 1.00 H new ATOM 0 HA GLN A 50 11.711 -16.586 9.197 1.00 1.00 H new ATOM 0 HB2 GLN A 50 10.855 -19.335 8.247 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.009 -18.406 7.310 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.187 -19.861 8.944 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.481 -18.171 9.303 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.260 -21.151 10.586 1.00 1.00 H new ATOM 0 HE22 GLN A 50 11.614 -20.487 12.090 1.00 1.00 H new ATOM 800 N GLN A 51 9.212 -15.795 7.930 1.00 1.00 N ATOM 801 CA GLN A 51 8.463 -15.076 6.907 1.00 1.00 C ATOM 802 C GLN A 51 7.709 -13.904 7.530 1.00 1.00 C ATOM 803 O GLN A 51 7.543 -13.837 8.748 1.00 1.00 O ATOM 804 CB GLN A 51 7.458 -16.014 6.229 1.00 1.00 C ATOM 805 CG GLN A 51 8.197 -17.075 5.406 1.00 1.00 C ATOM 806 CD GLN A 51 7.221 -17.767 4.460 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.156 -18.345 4.947 1.00 1.00 O flip ATOM 808 NE2 GLN A 51 7.433 -17.782 3.248 1.00 1.00 N flip ATOM 0 H GLN A 51 8.859 -15.670 8.879 1.00 1.00 H new ATOM 0 HA GLN A 51 9.169 -14.701 6.166 1.00 1.00 H new ATOM 0 HB2 GLN A 51 6.834 -16.496 6.982 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.793 -15.441 5.583 1.00 1.00 H new ATOM 0 HG2 GLN A 51 9.002 -16.611 4.837 1.00 1.00 H new ATOM 0 HG3 GLN A 51 8.657 -17.808 6.069 1.00 1.00 H new ATOM 0 HE21 GLN A 51 8.266 -17.330 2.870 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.776 -18.247 2.621 1.00 1.00 H new ATOM 817 N ASN A 52 7.257 -12.987 6.680 1.00 1.00 N ATOM 818 CA ASN A 52 6.515 -11.816 7.138 1.00 1.00 C ATOM 819 C ASN A 52 5.601 -12.160 8.312 1.00 1.00 C ATOM 820 O ASN A 52 5.002 -13.234 8.350 1.00 1.00 O ATOM 821 CB ASN A 52 5.666 -11.272 5.989 1.00 1.00 C ATOM 822 CG ASN A 52 4.246 -11.812 6.107 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.306 -11.048 6.322 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.034 -13.094 5.987 1.00 1.00 N ATOM 0 H ASN A 52 7.391 -13.032 5.670 1.00 1.00 H new ATOM 0 HA ASN A 52 7.235 -11.067 7.469 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.655 -10.182 6.015 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.099 -11.564 5.032 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.087 -13.464 6.071 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.815 -13.726 5.809 1.00 1.00 H new ATOM 831 N ARG A 53 5.496 -11.236 9.267 1.00 1.00 N ATOM 832 CA ARG A 53 4.645 -11.450 10.434 1.00 1.00 C ATOM 833 C ARG A 53 3.263 -10.837 10.210 1.00 1.00 C ATOM 834 O ARG A 53 2.632 -10.350 11.149 1.00 1.00 O ATOM 835 CB ARG A 53 5.282 -10.815 11.675 1.00 1.00 C ATOM 836 CG ARG A 53 5.070 -11.726 12.887 1.00 1.00 C ATOM 837 CD ARG A 53 5.514 -10.998 14.156 1.00 1.00 C ATOM 838 NE ARG A 53 4.387 -10.284 14.748 1.00 1.00 N ATOM 839 CZ ARG A 53 4.407 -9.904 16.021 1.00 1.00 C ATOM 840 NH1 ARG A 53 5.447 -10.168 16.764 1.00 1.00 N ATOM 841 NH2 ARG A 53 3.388 -9.266 16.527 1.00 1.00 N ATOM 0 H ARG A 53 5.985 -10.341 9.255 1.00 1.00 H new ATOM 0 HA ARG A 53 4.540 -12.524 10.586 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.348 -10.657 11.508 1.00 1.00 H new ATOM 0 HB3 ARG A 53 4.840 -9.836 11.862 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.020 -12.007 12.965 1.00 1.00 H new ATOM 0 HG3 ARG A 53 5.639 -12.648 12.766 1.00 1.00 H new ATOM 0 HD2 ARG A 53 5.917 -11.714 14.872 1.00 1.00 H new ATOM 0 HD3 ARG A 53 6.315 -10.297 13.921 1.00 1.00 H new ATOM 0 HE ARG A 53 3.570 -10.073 14.175 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.244 -10.666 16.367 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.463 -9.876 17.741 1.00 1.00 H new ATOM 0 HH21 ARG A 53 2.576 -9.059 15.945 1.00 1.00 H new ATOM 0 HH22 ARG A 53 3.403 -8.974 17.504 1.00 1.00 H new ATOM 855 N GLY A 54 2.795 -10.867 8.964 1.00 1.00 N ATOM 856 CA GLY A 54 1.485 -10.310 8.639 1.00 1.00 C ATOM 857 C GLY A 54 1.548 -8.788 8.521 1.00 1.00 C ATOM 858 O GLY A 54 0.682 -8.085 9.043 1.00 1.00 O ATOM 0 H GLY A 54 3.297 -11.266 8.171 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.128 -10.736 7.701 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.767 -10.589 9.410 1.00 1.00 H new ATOM 862 N PHE A 55 2.573 -8.285 7.832 1.00 1.00 N ATOM 863 CA PHE A 55 2.739 -6.841 7.655 1.00 1.00 C ATOM 864 C PHE A 55 3.691 -6.543 6.498 1.00 1.00 C ATOM 865 O PHE A 55 4.635 -7.294 6.252 1.00 1.00 O ATOM 866 CB PHE A 55 3.296 -6.215 8.940 1.00 1.00 C ATOM 867 CG PHE A 55 2.239 -6.237 10.017 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.252 -5.244 10.050 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.243 -7.251 10.981 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.271 -5.265 11.048 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.261 -7.274 11.979 1.00 1.00 C ATOM 872 CZ PHE A 55 0.275 -6.280 12.012 1.00 1.00 C ATOM 0 H PHE A 55 3.297 -8.851 7.390 1.00 1.00 H new ATOM 0 HA PHE A 55 1.762 -6.412 7.430 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.177 -6.764 9.271 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.613 -5.190 8.749 1.00 1.00 H new ATOM 0 HD1 PHE A 55 1.248 -4.462 9.305 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.004 -8.017 10.955 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.489 -4.498 11.074 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.264 -8.057 12.722 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.483 -6.297 12.782 1.00 1.00 H new ATOM 882 N ALA A 56 3.439 -5.443 5.793 1.00 1.00 N ATOM 883 CA ALA A 56 4.284 -5.053 4.666 1.00 1.00 C ATOM 884 C ALA A 56 4.283 -3.537 4.492 1.00 1.00 C ATOM 885 O ALA A 56 3.241 -2.892 4.600 1.00 1.00 O ATOM 886 CB ALA A 56 3.778 -5.715 3.383 1.00 1.00 C ATOM 0 H ALA A 56 2.662 -4.809 5.980 1.00 1.00 H new ATOM 0 HA ALA A 56 5.303 -5.382 4.869 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.412 -5.420 2.547 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.808 -6.799 3.497 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.753 -5.398 3.190 1.00 1.00 H new ATOM 892 N PHE A 57 5.460 -2.975 4.221 1.00 1.00 N ATOM 893 CA PHE A 57 5.587 -1.532 4.033 1.00 1.00 C ATOM 894 C PHE A 57 5.818 -1.201 2.562 1.00 1.00 C ATOM 895 O PHE A 57 6.651 -1.819 1.899 1.00 1.00 O ATOM 896 CB PHE A 57 6.754 -0.996 4.867 1.00 1.00 C ATOM 897 CG PHE A 57 6.219 -0.303 6.097 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.530 0.911 5.972 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.409 -0.871 7.362 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.033 1.555 7.110 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.912 -0.226 8.501 1.00 1.00 C ATOM 902 CZ PHE A 57 5.224 0.986 8.375 1.00 1.00 C ATOM 0 H PHE A 57 6.333 -3.493 4.127 1.00 1.00 H new ATOM 0 HA PHE A 57 4.660 -1.060 4.359 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.414 -1.814 5.156 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.349 -0.301 4.275 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.383 1.350 4.996 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.939 -1.807 7.460 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.502 2.491 7.013 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.060 -0.664 9.477 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.840 1.483 9.254 1.00 1.00 H new ATOM 912 N VAL A 58 5.074 -0.219 2.057 1.00 1.00 N ATOM 913 CA VAL A 58 5.205 0.189 0.663 1.00 1.00 C ATOM 914 C VAL A 58 5.129 1.709 0.540 1.00 1.00 C ATOM 915 O VAL A 58 4.157 2.326 0.974 1.00 1.00 O ATOM 916 CB VAL A 58 4.094 -0.444 -0.181 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.712 -1.201 -1.356 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.280 -1.418 0.678 1.00 1.00 C ATOM 0 H VAL A 58 4.379 0.305 2.589 1.00 1.00 H new ATOM 0 HA VAL A 58 6.175 -0.150 0.299 1.00 1.00 H new ATOM 0 HB VAL A 58 3.439 0.342 -0.556 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.921 -1.651 -1.956 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.286 -0.510 -1.973 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.371 -1.983 -0.979 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.491 -1.865 0.073 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.935 -2.202 1.058 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.834 -0.880 1.515 1.00 1.00 H new ATOM 928 N GLN A 59 6.158 2.302 -0.062 1.00 1.00 N ATOM 929 CA GLN A 59 6.198 3.751 -0.247 1.00 1.00 C ATOM 930 C GLN A 59 6.035 4.096 -1.723 1.00 1.00 C ATOM 931 O GLN A 59 6.388 3.299 -2.593 1.00 1.00 O ATOM 932 CB GLN A 59 7.524 4.313 0.271 1.00 1.00 C ATOM 933 CG GLN A 59 7.581 5.820 0.006 1.00 1.00 C ATOM 934 CD GLN A 59 8.764 6.436 0.745 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.575 5.718 1.330 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.912 7.733 0.750 1.00 1.00 N ATOM 0 H GLN A 59 6.970 1.805 -0.428 1.00 1.00 H new ATOM 0 HA GLN A 59 5.378 4.197 0.316 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.621 4.117 1.339 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.359 3.815 -0.222 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.673 6.006 -1.064 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.653 6.290 0.332 1.00 1.00 H new ATOM 0 HE21 GLN A 59 8.238 8.325 0.264 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.701 8.154 1.240 1.00 1.00 H new ATOM 945 N LEU A 60 5.500 5.283 -1.999 1.00 1.00 N ATOM 946 CA LEU A 60 5.294 5.719 -3.379 1.00 1.00 C ATOM 947 C LEU A 60 6.253 6.861 -3.714 1.00 1.00 C ATOM 948 O LEU A 60 6.855 7.458 -2.821 1.00 1.00 O ATOM 949 CB LEU A 60 3.843 6.188 -3.583 1.00 1.00 C ATOM 950 CG LEU A 60 2.916 5.012 -3.942 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.325 4.398 -5.285 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.973 3.932 -2.859 1.00 1.00 C ATOM 0 H LEU A 60 5.203 5.956 -1.292 1.00 1.00 H new ATOM 0 HA LEU A 60 5.489 4.876 -4.042 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.484 6.671 -2.674 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.809 6.935 -4.376 1.00 1.00 H new ATOM 0 HG LEU A 60 1.899 5.397 -4.014 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.660 3.568 -5.523 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.256 5.154 -6.067 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.350 4.034 -5.221 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.311 3.109 -3.130 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.994 3.562 -2.768 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.654 4.355 -1.906 1.00 1.00 H new ATOM 964 N SER A 61 6.395 7.154 -5.002 1.00 1.00 N ATOM 965 CA SER A 61 7.291 8.219 -5.444 1.00 1.00 C ATOM 966 C SER A 61 6.814 9.584 -4.955 1.00 1.00 C ATOM 967 O SER A 61 7.626 10.449 -4.623 1.00 1.00 O ATOM 968 CB SER A 61 7.377 8.226 -6.970 1.00 1.00 C ATOM 969 OG SER A 61 8.371 9.157 -7.379 1.00 1.00 O ATOM 0 H SER A 61 5.904 6.673 -5.756 1.00 1.00 H new ATOM 0 HA SER A 61 8.276 8.027 -5.019 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.623 7.229 -7.337 1.00 1.00 H new ATOM 0 HB3 SER A 61 6.412 8.495 -7.399 1.00 1.00 H new ATOM 0 HG SER A 61 8.430 9.163 -8.357 1.00 1.00 H new ATOM 975 N SER A 62 5.500 9.769 -4.920 1.00 1.00 N ATOM 976 CA SER A 62 4.921 11.034 -4.477 1.00 1.00 C ATOM 977 C SER A 62 4.211 10.866 -3.139 1.00 1.00 C ATOM 978 O SER A 62 3.951 9.747 -2.700 1.00 1.00 O ATOM 979 CB SER A 62 3.928 11.544 -5.523 1.00 1.00 C ATOM 980 OG SER A 62 4.037 10.752 -6.697 1.00 1.00 O ATOM 0 H SER A 62 4.816 9.063 -5.192 1.00 1.00 H new ATOM 0 HA SER A 62 5.728 11.756 -4.354 1.00 1.00 H new ATOM 0 HB2 SER A 62 2.912 11.496 -5.131 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.131 12.589 -5.755 1.00 1.00 H new ATOM 0 HG SER A 62 3.208 10.247 -6.829 1.00 1.00 H new ATOM 986 N ALA A 63 3.900 11.988 -2.497 1.00 1.00 N ATOM 987 CA ALA A 63 3.220 11.956 -1.208 1.00 1.00 C ATOM 988 C ALA A 63 1.707 11.882 -1.402 1.00 1.00 C ATOM 989 O ALA A 63 0.977 11.450 -0.509 1.00 1.00 O ATOM 990 CB ALA A 63 3.572 13.206 -0.398 1.00 1.00 C ATOM 0 H ALA A 63 4.107 12.924 -2.846 1.00 1.00 H new ATOM 0 HA ALA A 63 3.550 11.069 -0.667 1.00 1.00 H new ATOM 0 HB1 ALA A 63 3.059 13.173 0.563 1.00 1.00 H new ATOM 0 HB2 ALA A 63 4.649 13.242 -0.234 1.00 1.00 H new ATOM 0 HB3 ALA A 63 3.259 14.095 -0.946 1.00 1.00 H new ATOM 996 N MET A 64 1.242 12.308 -2.572 1.00 1.00 N ATOM 997 CA MET A 64 -0.188 12.288 -2.869 1.00 1.00 C ATOM 998 C MET A 64 -0.577 10.998 -3.588 1.00 1.00 C ATOM 999 O MET A 64 -1.747 10.781 -3.897 1.00 1.00 O ATOM 1000 CB MET A 64 -0.555 13.491 -3.738 1.00 1.00 C ATOM 1001 CG MET A 64 0.596 13.804 -4.694 1.00 1.00 C ATOM 1002 SD MET A 64 0.035 14.981 -5.948 1.00 1.00 S ATOM 1003 CE MET A 64 1.552 15.004 -6.934 1.00 1.00 C ATOM 0 H MET A 64 1.828 12.669 -3.325 1.00 1.00 H new ATOM 0 HA MET A 64 -0.734 12.338 -1.927 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.463 13.281 -4.303 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.764 14.356 -3.109 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.439 14.219 -4.142 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.947 12.888 -5.170 1.00 1.00 H new ATOM 0 HE1 MET A 64 1.426 15.681 -7.779 1.00 1.00 H new ATOM 0 HE2 MET A 64 2.382 15.345 -6.316 1.00 1.00 H new ATOM 0 HE3 MET A 64 1.762 14.000 -7.302 1.00 1.00 H new ATOM 1013 N ASP A 65 0.408 10.145 -3.849 1.00 1.00 N ATOM 1014 CA ASP A 65 0.150 8.882 -4.529 1.00 1.00 C ATOM 1015 C ASP A 65 -0.207 7.798 -3.517 1.00 1.00 C ATOM 1016 O ASP A 65 -0.596 6.691 -3.888 1.00 1.00 O ATOM 1017 CB ASP A 65 1.387 8.454 -5.322 1.00 1.00 C ATOM 1018 CG ASP A 65 1.182 8.737 -6.807 1.00 1.00 C ATOM 1019 OD1 ASP A 65 0.633 7.882 -7.482 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.582 9.801 -7.246 1.00 1.00 O ATOM 0 H ASP A 65 1.385 10.304 -3.602 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.688 9.020 -5.212 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.264 8.990 -4.960 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.577 7.392 -5.169 1.00 1.00 H new ATOM 1025 N ALA A 66 -0.069 8.128 -2.237 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.378 7.177 -1.175 1.00 1.00 C ATOM 1027 C ALA A 66 -1.887 7.033 -1.007 1.00 1.00 C ATOM 1028 O ALA A 66 -2.426 5.929 -1.087 1.00 1.00 O ATOM 1029 CB ALA A 66 0.241 7.645 0.144 1.00 1.00 C ATOM 0 H ALA A 66 0.252 9.040 -1.911 1.00 1.00 H new ATOM 0 HA ALA A 66 0.041 6.208 -1.449 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.005 6.929 0.931 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.323 7.718 0.032 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.163 8.622 0.409 1.00 1.00 H new ATOM 1035 N SER A 67 -2.562 8.152 -0.774 1.00 1.00 N ATOM 1036 CA SER A 67 -4.009 8.135 -0.597 1.00 1.00 C ATOM 1037 C SER A 67 -4.695 7.621 -1.859 1.00 1.00 C ATOM 1038 O SER A 67 -5.727 6.955 -1.789 1.00 1.00 O ATOM 1039 CB SER A 67 -4.512 9.544 -0.277 1.00 1.00 C ATOM 1040 OG SER A 67 -4.192 10.412 -1.356 1.00 1.00 O ATOM 0 H SER A 67 -2.135 9.076 -0.704 1.00 1.00 H new ATOM 0 HA SER A 67 -4.249 7.468 0.231 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.590 9.530 -0.114 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.055 9.906 0.644 1.00 1.00 H new ATOM 0 HG SER A 67 -4.514 11.316 -1.156 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.110 7.935 -3.010 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.667 7.505 -4.283 1.00 1.00 C ATOM 1048 C GLN A 68 -4.681 5.982 -4.378 1.00 1.00 C ATOM 1049 O GLN A 68 -5.731 5.373 -4.577 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.834 8.081 -5.429 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.721 8.942 -6.328 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.951 9.360 -7.576 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -2.649 9.288 -7.584 1.00 1.00 O flip ATOM 1054 NE2 GLN A 68 -4.555 9.766 -8.570 1.00 1.00 N flip ATOM 0 H GLN A 68 -3.254 8.484 -3.086 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.692 7.869 -4.354 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.014 8.679 -5.031 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.387 7.273 -6.009 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.614 8.385 -6.611 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.055 9.826 -5.784 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.573 9.821 -8.561 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -4.037 10.047 -9.402 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.506 5.374 -4.235 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.399 3.920 -4.309 1.00 1.00 C ATOM 1065 C LEU A 69 -4.266 3.270 -3.237 1.00 1.00 C ATOM 1066 O LEU A 69 -4.719 2.136 -3.391 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.940 3.488 -4.123 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.624 2.300 -5.039 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.150 1.917 -4.882 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.499 1.105 -4.658 1.00 1.00 C ATOM 0 H LEU A 69 -2.624 5.859 -4.069 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.746 3.597 -5.291 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.274 4.320 -4.350 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.763 3.213 -3.083 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.825 2.580 -6.073 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.078 1.072 -5.532 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.477 2.765 -5.156 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.046 1.640 -3.846 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.270 0.263 -5.312 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.301 0.825 -3.623 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.550 1.374 -4.767 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.497 3.997 -2.151 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.313 3.476 -1.060 1.00 1.00 C ATOM 1084 C LEU A 70 -6.793 3.535 -1.425 1.00 1.00 C ATOM 1085 O LEU A 70 -7.563 2.640 -1.076 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.068 4.292 0.212 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.582 3.524 1.433 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.395 2.990 2.238 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.408 4.461 2.315 1.00 1.00 C ATOM 0 H LEU A 70 -4.136 4.939 -2.002 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.033 2.437 -0.885 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.003 4.497 0.323 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.573 5.255 0.139 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.203 2.692 1.101 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.761 2.443 3.107 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.802 2.322 1.613 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.775 3.823 2.568 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.774 3.914 3.184 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.786 5.293 2.645 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.254 4.845 1.745 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.183 4.591 -2.130 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.571 4.753 -2.536 1.00 1.00 C ATOM 1103 C GLN A 71 -8.851 3.947 -3.800 1.00 1.00 C ATOM 1104 O GLN A 71 -9.953 3.431 -3.984 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.864 6.234 -2.787 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.282 6.394 -3.333 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.978 7.562 -2.644 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -12.107 7.422 -2.174 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.366 8.711 -2.549 1.00 1.00 N ATOM 0 H GLN A 71 -6.561 5.342 -2.430 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.218 4.387 -1.739 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.755 6.798 -1.861 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.143 6.642 -3.495 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.249 6.563 -4.409 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.848 5.477 -3.172 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.430 8.824 -2.939 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.823 9.496 -2.084 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.849 3.842 -4.667 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.001 3.093 -5.908 1.00 1.00 C ATOM 1120 C ILE A 72 -8.211 1.610 -5.617 1.00 1.00 C ATOM 1121 O ILE A 72 -9.029 0.953 -6.261 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.759 3.276 -6.784 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.863 4.598 -7.547 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.658 2.120 -7.781 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.508 4.933 -8.173 1.00 1.00 C ATOM 0 H ILE A 72 -6.929 4.263 -4.534 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.875 3.473 -6.436 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.871 3.288 -6.152 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.625 4.524 -8.322 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.171 5.397 -6.872 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.773 2.253 -8.403 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.582 1.177 -7.239 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.547 2.105 -8.412 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.581 5.875 -8.717 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.757 5.025 -7.388 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.219 4.138 -8.861 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.470 1.088 -4.645 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.591 -0.323 -4.283 1.00 1.00 C ATOM 1139 C LEU A 73 -8.838 -0.551 -3.433 1.00 1.00 C ATOM 1140 O LEU A 73 -9.487 -1.593 -3.535 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.351 -0.781 -3.509 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.252 -2.310 -3.565 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.426 -2.731 -4.784 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.574 -2.832 -2.295 1.00 1.00 C ATOM 0 H LEU A 73 -6.787 1.612 -4.098 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.676 -0.905 -5.201 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.455 -0.332 -3.937 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.411 -0.447 -2.473 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.256 -2.727 -3.641 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.358 -3.818 -4.820 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -5.906 -2.367 -5.692 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.424 -2.307 -4.709 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.506 -3.919 -2.339 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.573 -2.409 -2.217 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.160 -2.540 -1.424 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.170 0.428 -2.595 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.349 0.314 -1.734 1.00 1.00 C ATOM 1158 C GLN A 74 -11.623 0.587 -2.530 1.00 1.00 C ATOM 1159 O GLN A 74 -12.730 0.363 -2.038 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.264 1.300 -0.563 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.127 0.886 0.377 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.724 2.061 1.262 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.974 3.215 0.916 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.107 1.835 2.390 1.00 1.00 N ATOM 0 H GLN A 74 -8.649 1.299 -2.492 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.379 -0.703 -1.343 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.091 2.309 -0.936 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.209 1.318 -0.021 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.444 0.047 0.996 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.269 0.548 -0.204 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -7.900 0.878 2.675 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -7.831 2.616 2.986 1.00 1.00 H new ATOM 1173 N SER A 75 -11.462 1.065 -3.760 1.00 1.00 N ATOM 1174 CA SER A 75 -12.610 1.358 -4.611 1.00 1.00 C ATOM 1175 C SER A 75 -13.321 0.067 -4.990 1.00 1.00 C ATOM 1176 O SER A 75 -14.536 0.050 -5.193 1.00 1.00 O ATOM 1177 CB SER A 75 -12.157 2.083 -5.877 1.00 1.00 C ATOM 1178 OG SER A 75 -11.349 1.210 -6.655 1.00 1.00 O ATOM 0 H SER A 75 -10.556 1.256 -4.187 1.00 1.00 H new ATOM 0 HA SER A 75 -13.298 1.999 -4.059 1.00 1.00 H new ATOM 0 HB2 SER A 75 -13.023 2.406 -6.454 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.596 2.980 -5.615 1.00 1.00 H new ATOM 0 HG SER A 75 -10.412 1.489 -6.592 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.555 -1.014 -5.071 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.118 -2.314 -5.415 1.00 1.00 C ATOM 1186 C LEU A 76 -14.040 -2.786 -4.295 1.00 1.00 C ATOM 1187 O LEU A 76 -13.702 -2.676 -3.117 1.00 1.00 O ATOM 1188 CB LEU A 76 -11.995 -3.336 -5.628 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.064 -2.864 -6.750 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.654 -3.413 -6.514 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.583 -3.382 -8.094 1.00 1.00 C ATOM 0 H LEU A 76 -11.549 -1.017 -4.904 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.689 -2.220 -6.339 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.430 -3.465 -4.705 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.419 -4.308 -5.881 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.036 -1.774 -6.759 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -8.994 -3.076 -7.313 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.278 -3.052 -5.557 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.685 -4.503 -6.504 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -10.922 -3.047 -8.893 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.610 -4.472 -8.078 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.588 -2.997 -8.269 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.207 -3.303 -4.663 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.161 -3.773 -3.662 1.00 1.00 C ATOM 1205 C HIS A 77 -15.582 -4.946 -2.870 1.00 1.00 C ATOM 1206 O HIS A 77 -15.571 -4.913 -1.640 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.498 -4.157 -4.314 1.00 1.00 C ATOM 1208 CG HIS A 77 -17.971 -5.483 -3.779 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.097 -5.733 -2.422 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -18.370 -6.636 -4.411 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -18.555 -6.990 -2.280 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -18.738 -7.586 -3.463 1.00 1.00 N ATOM 0 H HIS A 77 -15.513 -3.407 -5.630 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.351 -2.956 -2.966 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -18.244 -3.388 -4.113 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.381 -4.213 -5.396 1.00 1.00 H new ATOM 0 HD1 HIS A 77 -17.881 -5.082 -1.667 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.394 -6.783 -5.481 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -18.751 -7.460 -1.328 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.088 -5.969 -3.530 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.484 -7.144 -2.842 1.00 1.00 C ATOM 1222 C PRO A 78 -13.009 -6.896 -2.494 1.00 1.00 C ATOM 1223 O PRO A 78 -12.180 -6.785 -3.397 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.604 -8.248 -3.889 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.484 -7.544 -5.200 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.046 -6.132 -4.996 1.00 1.00 C ATOM 0 HA PRO A 78 -14.973 -7.377 -1.896 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.820 -8.995 -3.768 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.557 -8.770 -3.806 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.444 -7.503 -5.523 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -15.038 -8.073 -5.975 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.411 -5.379 -5.463 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.038 -6.030 -5.437 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.651 -6.803 -1.228 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.234 -6.563 -0.826 1.00 1.00 C ATOM 1236 C PRO A 79 -10.272 -7.493 -1.561 1.00 1.00 C ATOM 1237 O PRO A 79 -10.689 -8.300 -2.392 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.223 -6.845 0.676 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.623 -6.608 1.136 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.536 -6.912 -0.053 1.00 1.00 C ATOM 0 HA PRO A 79 -10.904 -5.554 -1.071 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.911 -7.869 0.881 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.523 -6.189 1.194 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -12.865 -7.249 1.983 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -12.752 -5.578 1.469 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.973 -7.908 0.025 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.363 -6.204 -0.111 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.984 -7.382 -1.252 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.992 -8.226 -1.898 1.00 1.00 C ATOM 1250 C LEU A 80 -7.840 -9.535 -1.133 1.00 1.00 C ATOM 1251 O LEU A 80 -7.440 -9.539 0.031 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.649 -7.495 -1.952 1.00 1.00 C ATOM 1253 CG LEU A 80 -6.377 -6.990 -3.374 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -6.163 -8.176 -4.319 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -7.567 -6.157 -3.859 1.00 1.00 C ATOM 0 H LEU A 80 -8.609 -6.725 -0.568 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.321 -8.448 -2.913 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.655 -6.657 -1.256 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.849 -8.165 -1.637 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.479 -6.373 -3.367 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -5.970 -7.808 -5.327 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -5.311 -8.764 -3.978 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -7.056 -8.802 -4.326 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -7.372 -5.799 -4.870 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -8.466 -6.773 -3.859 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -7.710 -5.306 -3.194 1.00 1.00 H new ATOM 1267 N LYS A 81 -8.170 -10.644 -1.791 1.00 1.00 N ATOM 1268 CA LYS A 81 -8.073 -11.955 -1.160 1.00 1.00 C ATOM 1269 C LYS A 81 -6.918 -12.755 -1.748 1.00 1.00 C ATOM 1270 O LYS A 81 -7.011 -13.277 -2.860 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.387 -12.720 -1.349 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.482 -13.870 -0.332 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.440 -14.949 -0.643 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.965 -16.305 -0.166 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.816 -17.204 0.141 1.00 1.00 N ATOM 0 H LYS A 81 -8.505 -10.660 -2.754 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.886 -11.813 -0.096 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -10.232 -12.043 -1.224 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.443 -13.116 -2.363 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.326 -13.486 0.676 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.482 -14.304 -0.357 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -8.238 -14.979 -1.714 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.498 -14.715 -0.148 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.586 -16.175 0.721 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.596 -16.753 -0.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.911 -18.087 -0.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.927 -16.732 -0.120 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.807 -17.421 1.158 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.837 -12.856 -0.986 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.665 -13.603 -1.422 1.00 1.00 C ATOM 1291 C ILE A 82 -4.610 -14.939 -0.689 1.00 1.00 C ATOM 1292 O ILE A 82 -4.864 -14.993 0.514 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.396 -12.790 -1.134 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.440 -11.487 -1.942 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.153 -13.593 -1.535 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.268 -10.585 -1.544 1.00 1.00 C ATOM 0 H ILE A 82 -5.747 -12.430 -0.063 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.730 -13.788 -2.494 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.347 -12.567 -0.068 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.393 -11.709 -3.008 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.384 -10.971 -1.765 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.258 -13.007 -1.326 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.120 -14.521 -0.965 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.196 -13.823 -2.600 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.307 -9.662 -2.122 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.334 -10.351 -0.482 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.328 -11.100 -1.744 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.294 -16.008 -1.425 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.220 -17.350 -0.844 1.00 1.00 C ATOM 1310 C ASP A 83 -3.801 -17.295 0.621 1.00 1.00 C ATOM 1311 O ASP A 83 -2.633 -17.074 0.937 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.216 -18.199 -1.626 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.740 -18.469 -3.033 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.831 -17.527 -3.802 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -4.034 -19.618 -3.322 1.00 1.00 O ATOM 0 H ASP A 83 -4.086 -15.970 -2.423 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.212 -17.798 -0.904 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.257 -17.684 -1.680 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.043 -19.142 -1.107 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.768 -17.494 1.510 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.498 -17.461 2.941 1.00 1.00 C ATOM 1322 C GLY A 84 -5.630 -16.768 3.699 1.00 1.00 C ATOM 1323 O GLY A 84 -6.279 -17.374 4.550 1.00 1.00 O ATOM 0 H GLY A 84 -5.741 -17.679 1.266 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.375 -18.478 3.315 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.559 -16.938 3.125 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.858 -15.493 3.387 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.911 -14.732 4.053 1.00 1.00 C ATOM 1329 C LYS A 85 -7.157 -13.404 3.340 1.00 1.00 C ATOM 1330 O LYS A 85 -6.490 -13.082 2.357 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.527 -14.464 5.512 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.013 -14.253 5.620 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.656 -13.794 7.036 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.666 -14.780 7.658 1.00 1.00 C ATOM 1335 NZ LYS A 85 -2.480 -14.925 6.767 1.00 1.00 N ATOM 0 H LYS A 85 -5.334 -14.971 2.685 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.826 -15.323 4.020 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.053 -13.583 5.880 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.832 -15.303 6.138 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.489 -15.180 5.385 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.687 -13.509 4.893 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -4.221 -12.795 7.007 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.556 -13.732 7.647 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.354 -14.427 8.641 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -4.145 -15.748 7.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -1.623 -15.039 7.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -2.602 -15.760 6.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -2.386 -14.076 6.173 1.00 1.00 H new ATOM 1349 N THR A 86 -8.122 -12.638 3.843 1.00 1.00 N ATOM 1350 CA THR A 86 -8.456 -11.344 3.251 1.00 1.00 C ATOM 1351 C THR A 86 -7.375 -10.311 3.555 1.00 1.00 C ATOM 1352 O THR A 86 -6.800 -10.302 4.644 1.00 1.00 O ATOM 1353 CB THR A 86 -9.799 -10.852 3.796 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.153 -9.637 3.152 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.687 -10.620 5.304 1.00 1.00 C ATOM 0 H THR A 86 -8.685 -12.889 4.656 1.00 1.00 H new ATOM 0 HA THR A 86 -8.523 -11.471 2.171 1.00 1.00 H new ATOM 0 HB THR A 86 -10.566 -11.602 3.603 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.014 -9.322 3.499 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.644 -10.270 5.690 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.417 -11.554 5.797 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.920 -9.871 5.501 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.103 -9.444 2.581 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.085 -8.406 2.748 1.00 1.00 C ATOM 1365 C ILE A 87 -6.739 -7.028 2.830 1.00 1.00 C ATOM 1366 O ILE A 87 -7.620 -6.704 2.030 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.109 -8.432 1.566 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.502 -9.836 1.412 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.994 -7.407 1.798 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.249 -9.968 2.279 1.00 1.00 C ATOM 0 H ILE A 87 -7.569 -9.438 1.674 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.543 -8.602 3.673 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.648 -8.180 0.653 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.234 -10.590 1.701 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.251 -10.019 0.367 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.301 -7.427 0.957 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.428 -6.411 1.887 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.459 -7.653 2.715 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.829 -10.967 2.161 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.513 -9.226 1.970 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.511 -9.806 3.324 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.302 -6.226 3.804 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.853 -4.884 3.990 1.00 1.00 C ATOM 1384 C GLY A 88 -5.791 -3.810 3.767 1.00 1.00 C ATOM 1385 O GLY A 88 -4.593 -4.099 3.760 1.00 1.00 O ATOM 0 H GLY A 88 -5.574 -6.481 4.471 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.680 -4.729 3.297 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.260 -4.792 4.997 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.243 -2.569 3.587 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.337 -1.448 3.365 1.00 1.00 C ATOM 1391 C VAL A 89 -5.462 -0.429 4.495 1.00 1.00 C ATOM 1392 O VAL A 89 -6.565 -0.121 4.945 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.677 -0.770 2.038 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.408 -0.180 1.420 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -6.277 -1.796 1.075 1.00 1.00 C ATOM 0 H VAL A 89 -7.231 -2.317 3.591 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.315 -1.826 3.338 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.398 0.027 2.219 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.654 0.302 0.474 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.979 0.555 2.101 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.685 -0.976 1.244 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -6.519 -1.310 0.130 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -5.556 -2.595 0.899 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -7.184 -2.216 1.509 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.327 0.094 4.951 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.330 1.079 6.028 1.00 1.00 C ATOM 1407 C ASP A 90 -3.242 2.126 5.804 1.00 1.00 C ATOM 1408 O ASP A 90 -2.287 1.892 5.061 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.104 0.385 7.372 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.004 -1.123 7.170 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -2.933 -1.582 6.808 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -4.999 -1.796 7.378 1.00 1.00 O ATOM 0 H ASP A 90 -3.401 -0.145 4.595 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.300 1.577 6.035 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.191 0.759 7.835 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.924 0.616 8.052 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.389 3.278 6.452 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.408 4.352 6.316 1.00 1.00 C ATOM 1419 C PHE A 91 -1.198 4.087 7.206 1.00 1.00 C ATOM 1420 O PHE A 91 -1.198 3.151 8.007 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.039 5.690 6.710 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.630 6.361 5.490 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.798 6.758 4.436 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.010 6.587 5.417 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.346 7.381 3.309 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.558 7.210 4.288 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.726 7.606 3.234 1.00 1.00 C ATOM 0 H PHE A 91 -4.171 3.492 7.072 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.085 4.391 5.276 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.815 5.529 7.459 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.288 6.337 7.163 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.734 6.583 4.493 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.651 6.281 6.230 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.704 7.688 2.497 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.622 7.385 4.231 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.149 8.085 2.363 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.172 4.919 7.063 1.00 1.00 N ATOM 1438 CA ALA A 92 1.038 4.769 7.863 1.00 1.00 C ATOM 1439 C ALA A 92 0.961 5.639 9.114 1.00 1.00 C ATOM 1440 O ALA A 92 -0.032 6.330 9.341 1.00 1.00 O ATOM 1441 CB ALA A 92 2.263 5.166 7.037 1.00 1.00 C ATOM 0 H ALA A 92 -0.153 5.699 6.406 1.00 1.00 H new ATOM 0 HA ALA A 92 1.127 3.725 8.164 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.162 5.051 7.642 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.332 4.525 6.158 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.168 6.205 6.722 1.00 1.00 H new ATOM 1447 N LYS A 93 2.016 5.599 9.921 1.00 1.00 N ATOM 1448 CA LYS A 93 2.056 6.388 11.146 1.00 1.00 C ATOM 1449 C LYS A 93 0.917 5.988 12.079 1.00 1.00 C ATOM 1450 O LYS A 93 0.078 6.814 12.440 1.00 1.00 O ATOM 1451 CB LYS A 93 1.945 7.877 10.814 1.00 1.00 C ATOM 1452 CG LYS A 93 2.496 8.705 11.977 1.00 1.00 C ATOM 1453 CD LYS A 93 3.970 9.025 11.724 1.00 1.00 C ATOM 1454 CE LYS A 93 4.532 9.811 12.911 1.00 1.00 C ATOM 1455 NZ LYS A 93 4.937 11.173 12.458 1.00 1.00 N ATOM 0 H LYS A 93 2.848 5.034 9.751 1.00 1.00 H new ATOM 0 HA LYS A 93 3.006 6.197 11.646 1.00 1.00 H new ATOM 0 HB2 LYS A 93 2.499 8.099 9.902 1.00 1.00 H new ATOM 0 HB3 LYS A 93 0.904 8.142 10.627 1.00 1.00 H new ATOM 0 HG2 LYS A 93 1.926 9.628 12.082 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.388 8.155 12.912 1.00 1.00 H new ATOM 0 HD2 LYS A 93 4.535 8.103 11.584 1.00 1.00 H new ATOM 0 HD3 LYS A 93 4.075 9.605 10.807 1.00 1.00 H new ATOM 0 HE2 LYS A 93 3.783 9.886 13.699 1.00 1.00 H new ATOM 0 HE3 LYS A 93 5.389 9.287 13.335 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 5.319 11.708 13.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 5.666 11.091 11.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 4.109 11.671 12.073 1.00 1.00 H new ATOM 1469 N SER A 94 0.892 4.718 12.464 1.00 1.00 N ATOM 1470 CA SER A 94 -0.150 4.219 13.355 1.00 1.00 C ATOM 1471 C SER A 94 0.415 3.173 14.311 1.00 1.00 C ATOM 1472 O SER A 94 -0.278 2.231 14.696 1.00 1.00 O ATOM 1473 CB SER A 94 -1.285 3.605 12.535 1.00 1.00 C ATOM 1474 OG SER A 94 -2.160 2.895 13.404 1.00 1.00 O ATOM 0 H SER A 94 1.576 4.018 12.176 1.00 1.00 H new ATOM 0 HA SER A 94 -0.534 5.055 13.939 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.832 4.386 12.008 1.00 1.00 H new ATOM 0 HB3 SER A 94 -0.880 2.933 11.778 1.00 1.00 H new ATOM 0 HG SER A 94 -1.705 2.097 13.746 1.00 1.00 H new ATOM 1480 N ALA A 95 1.677 3.346 14.690 1.00 1.00 N ATOM 1481 CA ALA A 95 2.326 2.410 15.601 1.00 1.00 C ATOM 1482 C ALA A 95 1.870 2.659 17.037 1.00 1.00 C ATOM 1483 O ALA A 95 1.140 3.613 17.250 1.00 1.00 O ATOM 1484 CB ALA A 95 3.845 2.561 15.511 1.00 1.00 C ATOM 1485 OXT ALA A 95 2.260 1.892 17.901 1.00 1.00 O ATOM 0 H ALA A 95 2.267 4.119 14.383 1.00 1.00 H new ATOM 0 HA ALA A 95 2.046 1.397 15.313 1.00 1.00 H new ATOM 0 HB1 ALA A 95 4.322 1.858 16.195 1.00 1.00 H new ATOM 0 HB2 ALA A 95 4.171 2.354 14.492 1.00 1.00 H new ATOM 0 HB3 ALA A 95 4.126 3.579 15.782 1.00 1.00 H new TER 1491 ALA A 95