USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 11 CYS SG : rot -170:sc= -0.971 USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0.00638 USER MOD Set 2.1: A 9 THR OG1 : rot -43:sc= 1.26 USER MOD Set 2.2: A 40 THR OG1 : rot -46:sc= 0.926 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.123 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= -0.0733 (180deg=-0.322) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.981) USER MOD Single : A 17 HIS : no HD1:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 18 THR OG1 : rot 170:sc= -1.27 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -154:sc= 0 (180deg=-0.649) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.22 F(o=-2.7!,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.963 (180deg=0.797) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.843) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc=-0.00797 (180deg=-0.137) USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0392 (180deg=-0.375) USER MOD Single : A 34 ASN : amide:sc= -1.85! C(o=-1.9!,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1) USER MOD Single : A 41 GLN : amide:sc= 0.169 K(o=0.17,f=-4.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.54) USER MOD Single : A 51 THR OG1 : rot -60:sc= 1.26 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc=-0.00356 (180deg=-0.131) USER MOD Single : A 56 ASN : amide:sc= -0.048 K(o=-0.048,f=-0.98) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0616 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0223) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.676 (180deg=-0.5!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.014 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.168 (180deg=-0.822) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= -0.0193 (180deg=-0.162) USER MOD Single : A 97 ASN : amide:sc= 1.12 K(o=1.1,f=-0.077) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.373 (180deg=0.295) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.203 0.135 -5.730 1.00 0.00 N ATOM 2 CA MET A 1 -16.645 1.168 -6.636 1.00 0.00 C ATOM 3 C MET A 1 -15.130 1.068 -6.685 1.00 0.00 C ATOM 4 O MET A 1 -14.520 0.417 -5.836 1.00 0.00 O ATOM 5 CB MET A 1 -17.050 2.571 -6.173 1.00 0.00 C ATOM 6 CG MET A 1 -18.478 2.945 -6.530 1.00 0.00 C ATOM 7 SD MET A 1 -18.763 2.943 -8.312 1.00 0.00 S ATOM 8 CE MET A 1 -20.454 3.525 -8.386 1.00 0.00 C ATOM 0 H1 MET A 1 -17.803 -0.517 -6.275 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.425 -0.397 -5.289 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.772 0.593 -4.990 1.00 0.00 H new ATOM 0 HA MET A 1 -17.049 0.994 -7.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.926 2.637 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.372 3.300 -6.616 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.164 2.245 -6.054 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.703 3.934 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.775 3.578 -9.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.100 2.837 -7.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.518 4.516 -7.936 1.00 0.00 H new ATOM 20 N LYS A 2 -14.524 1.723 -7.672 1.00 0.00 N ATOM 21 CA LYS A 2 -13.075 1.722 -7.804 1.00 0.00 C ATOM 22 C LYS A 2 -12.459 2.557 -6.693 1.00 0.00 C ATOM 23 O LYS A 2 -12.332 3.775 -6.818 1.00 0.00 O ATOM 24 CB LYS A 2 -12.629 2.275 -9.170 1.00 0.00 C ATOM 25 CG LYS A 2 -13.061 1.440 -10.372 1.00 0.00 C ATOM 26 CD LYS A 2 -14.490 1.739 -10.799 1.00 0.00 C ATOM 27 CE LYS A 2 -14.622 3.136 -11.391 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.787 3.313 -12.611 1.00 0.00 N ATOM 0 H LYS A 2 -15.014 2.259 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.733 0.690 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.026 3.284 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.542 2.358 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.387 1.633 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.971 0.382 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.812 1.001 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.154 1.644 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.667 3.327 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.331 3.874 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.103 4.158 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.791 3.428 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.883 2.477 -13.222 1.00 0.00 H new ATOM 42 N ARG A 3 -12.111 1.909 -5.593 1.00 0.00 N ATOM 43 CA ARG A 3 -11.544 2.610 -4.455 1.00 0.00 C ATOM 44 C ARG A 3 -10.106 2.991 -4.751 1.00 0.00 C ATOM 45 O ARG A 3 -9.399 2.277 -5.466 1.00 0.00 O ATOM 46 CB ARG A 3 -11.623 1.752 -3.191 1.00 0.00 C ATOM 47 CG ARG A 3 -12.052 2.533 -1.963 1.00 0.00 C ATOM 48 CD ARG A 3 -13.403 3.192 -2.188 1.00 0.00 C ATOM 49 NE ARG A 3 -13.949 3.787 -0.973 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.903 4.714 -0.969 1.00 0.00 C ATOM 51 NH1 ARG A 3 -15.350 5.215 -2.115 1.00 0.00 N ATOM 52 NH2 ARG A 3 -15.404 5.142 0.178 1.00 0.00 N ATOM 0 H ARG A 3 -12.211 0.902 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.123 3.517 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.325 0.935 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.648 1.301 -3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.106 1.866 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.306 3.293 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.304 3.963 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.105 2.451 -2.572 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.578 3.474 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.962 4.889 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.082 5.926 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.059 4.761 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.136 5.853 0.181 1.00 0.00 H new ATOM 66 N LYS A 4 -9.681 4.120 -4.216 1.00 0.00 N ATOM 67 CA LYS A 4 -8.353 4.631 -4.492 1.00 0.00 C ATOM 68 C LYS A 4 -7.405 4.222 -3.376 1.00 0.00 C ATOM 69 O LYS A 4 -7.607 4.582 -2.218 1.00 0.00 O ATOM 70 CB LYS A 4 -8.390 6.155 -4.616 1.00 0.00 C ATOM 71 CG LYS A 4 -9.564 6.689 -5.425 1.00 0.00 C ATOM 72 CD LYS A 4 -9.573 6.147 -6.842 1.00 0.00 C ATOM 73 CE LYS A 4 -10.728 6.722 -7.646 1.00 0.00 C ATOM 74 NZ LYS A 4 -12.051 6.420 -7.031 1.00 0.00 N ATOM 0 H LYS A 4 -10.237 4.700 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.999 4.212 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.425 6.588 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.462 6.493 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.497 6.422 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.519 7.778 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.630 6.389 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.650 5.060 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.607 7.802 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.700 6.318 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.792 6.469 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.033 5.465 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.253 7.115 -6.284 1.00 0.00 H new ATOM 88 N ILE A 5 -6.382 3.460 -3.717 1.00 0.00 N ATOM 89 CA ILE A 5 -5.443 2.965 -2.724 1.00 0.00 C ATOM 90 C ILE A 5 -4.004 3.132 -3.205 1.00 0.00 C ATOM 91 O ILE A 5 -3.698 2.905 -4.375 1.00 0.00 O ATOM 92 CB ILE A 5 -5.696 1.471 -2.406 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.142 1.252 -1.938 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.717 0.971 -1.350 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.483 -0.198 -1.655 1.00 0.00 C ATOM 0 H ILE A 5 -6.179 3.170 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.595 3.553 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.539 0.900 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.314 1.838 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.822 1.633 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.913 -0.081 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.697 1.085 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.841 1.551 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.521 -0.271 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.345 -0.788 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.829 -0.579 -0.871 1.00 0.00 H new ATOM 107 N ILE A 6 -3.130 3.551 -2.305 1.00 0.00 N ATOM 108 CA ILE A 6 -1.706 3.577 -2.587 1.00 0.00 C ATOM 109 C ILE A 6 -0.980 2.742 -1.546 1.00 0.00 C ATOM 110 O ILE A 6 -1.293 2.801 -0.355 1.00 0.00 O ATOM 111 CB ILE A 6 -1.099 5.008 -2.637 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.284 5.767 -1.312 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.697 5.796 -3.795 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.685 6.289 -1.066 1.00 0.00 C ATOM 0 H ILE A 6 -3.383 3.878 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.573 3.161 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.026 4.900 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.009 5.106 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.590 6.607 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.263 6.796 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.480 5.285 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.776 5.872 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.717 6.809 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.961 6.979 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.386 5.455 -1.049 1.00 0.00 H new ATOM 126 N ALA A 7 -0.038 1.941 -1.994 1.00 0.00 N ATOM 127 CA ALA A 7 0.654 1.031 -1.105 1.00 0.00 C ATOM 128 C ALA A 7 2.145 1.049 -1.376 1.00 0.00 C ATOM 129 O ALA A 7 2.568 1.191 -2.518 1.00 0.00 O ATOM 130 CB ALA A 7 0.104 -0.379 -1.257 1.00 0.00 C ATOM 0 H ALA A 7 0.267 1.901 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 7 0.488 1.360 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.634 -1.051 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.958 -0.383 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.241 -0.714 -2.285 1.00 0.00 H new ATOM 136 N VAL A 8 2.934 0.923 -0.325 1.00 0.00 N ATOM 137 CA VAL A 8 4.380 0.863 -0.462 1.00 0.00 C ATOM 138 C VAL A 8 4.903 -0.426 0.155 1.00 0.00 C ATOM 139 O VAL A 8 4.515 -0.798 1.263 1.00 0.00 O ATOM 140 CB VAL A 8 5.073 2.077 0.197 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.583 1.998 0.023 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.539 3.380 -0.382 1.00 0.00 C ATOM 0 H VAL A 8 2.598 0.860 0.636 1.00 0.00 H new ATOM 0 HA VAL A 8 4.613 0.886 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 8 4.850 2.056 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.049 2.863 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.956 1.086 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.827 1.989 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.040 4.222 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.728 3.406 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.466 3.446 -0.201 1.00 0.00 H new ATOM 152 N THR A 9 5.757 -1.115 -0.578 1.00 0.00 N ATOM 153 CA THR A 9 6.327 -2.372 -0.128 1.00 0.00 C ATOM 154 C THR A 9 7.836 -2.237 0.025 1.00 0.00 C ATOM 155 O THR A 9 8.515 -1.787 -0.898 1.00 0.00 O ATOM 156 CB THR A 9 5.996 -3.506 -1.120 1.00 0.00 C ATOM 157 OG1 THR A 9 6.257 -3.078 -2.468 1.00 0.00 O ATOM 158 CG2 THR A 9 4.542 -3.923 -0.990 1.00 0.00 C ATOM 0 H THR A 9 6.075 -0.820 -1.501 1.00 0.00 H new ATOM 0 HA THR A 9 5.891 -2.621 0.840 1.00 0.00 H new ATOM 0 HB THR A 9 6.630 -4.361 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.931 -2.162 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.328 -4.724 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.354 -4.276 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.898 -3.069 -1.203 1.00 0.00 H new ATOM 166 N ALA A 10 8.361 -2.615 1.183 1.00 0.00 N ATOM 167 CA ALA A 10 9.782 -2.446 1.454 1.00 0.00 C ATOM 168 C ALA A 10 10.251 -3.371 2.566 1.00 0.00 C ATOM 169 O ALA A 10 10.102 -3.061 3.747 1.00 0.00 O ATOM 170 CB ALA A 10 10.079 -0.995 1.814 1.00 0.00 C ATOM 0 H ALA A 10 7.829 -3.037 1.944 1.00 0.00 H new ATOM 0 HA ALA A 10 10.329 -2.710 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.144 -0.881 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.795 -0.349 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.511 -0.717 2.702 1.00 0.00 H new ATOM 176 N CYS A 11 10.806 -4.511 2.192 1.00 0.00 N ATOM 177 CA CYS A 11 11.325 -5.459 3.166 1.00 0.00 C ATOM 178 C CYS A 11 12.823 -5.650 2.970 1.00 0.00 C ATOM 179 O CYS A 11 13.286 -5.893 1.854 1.00 0.00 O ATOM 180 CB CYS A 11 10.602 -6.803 3.050 1.00 0.00 C ATOM 181 SG CYS A 11 11.192 -8.067 4.201 1.00 0.00 S ATOM 0 H CYS A 11 10.909 -4.804 1.220 1.00 0.00 H new ATOM 0 HA CYS A 11 11.148 -5.057 4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.537 -6.645 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.713 -7.175 2.032 1.00 0.00 H new ATOM 0 HG CYS A 11 10.671 -9.216 3.888 1.00 0.00 H new ATOM 187 N ALA A 12 13.575 -5.527 4.056 1.00 0.00 N ATOM 188 CA ALA A 12 15.019 -5.692 4.003 1.00 0.00 C ATOM 189 C ALA A 12 15.419 -7.117 4.374 1.00 0.00 C ATOM 190 O ALA A 12 16.541 -7.544 4.107 1.00 0.00 O ATOM 191 CB ALA A 12 15.697 -4.690 4.926 1.00 0.00 C ATOM 0 H ALA A 12 13.208 -5.314 4.983 1.00 0.00 H new ATOM 0 HA ALA A 12 15.348 -5.505 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.778 -4.824 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.442 -3.677 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.357 -4.850 5.949 1.00 0.00 H new ATOM 197 N THR A 13 14.497 -7.847 4.992 1.00 0.00 N ATOM 198 CA THR A 13 14.753 -9.224 5.383 1.00 0.00 C ATOM 199 C THR A 13 14.846 -10.116 4.149 1.00 0.00 C ATOM 200 O THR A 13 15.810 -10.860 3.972 1.00 0.00 O ATOM 201 CB THR A 13 13.637 -9.762 6.294 1.00 0.00 C ATOM 202 OG1 THR A 13 13.187 -8.734 7.184 1.00 0.00 O ATOM 203 CG2 THR A 13 14.131 -10.950 7.103 1.00 0.00 C ATOM 0 H THR A 13 13.566 -7.506 5.232 1.00 0.00 H new ATOM 0 HA THR A 13 15.697 -9.238 5.928 1.00 0.00 H new ATOM 0 HB THR A 13 12.809 -10.084 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.475 -9.087 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.326 -11.316 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.447 -11.744 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.974 -10.643 7.722 1.00 0.00 H new ATOM 211 N GLY A 14 13.835 -10.027 3.299 1.00 0.00 N ATOM 212 CA GLY A 14 13.807 -10.816 2.089 1.00 0.00 C ATOM 213 C GLY A 14 13.156 -10.067 0.948 1.00 0.00 C ATOM 214 O GLY A 14 11.951 -9.811 0.974 1.00 0.00 O ATOM 0 H GLY A 14 13.028 -9.417 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.824 -11.091 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.265 -11.744 2.272 1.00 0.00 H new ATOM 218 N VAL A 15 13.951 -9.725 -0.060 1.00 0.00 N ATOM 219 CA VAL A 15 13.475 -8.943 -1.188 1.00 0.00 C ATOM 220 C VAL A 15 12.382 -9.678 -1.963 1.00 0.00 C ATOM 221 O VAL A 15 11.509 -9.048 -2.557 1.00 0.00 O ATOM 222 CB VAL A 15 14.631 -8.563 -2.136 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.593 -7.607 -1.445 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.365 -9.802 -2.630 1.00 0.00 C ATOM 0 H VAL A 15 14.937 -9.981 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 15 13.047 -8.028 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 15 14.206 -8.059 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.403 -7.349 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.060 -6.701 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.006 -8.085 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.175 -9.504 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.777 -10.345 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.670 -10.446 -3.169 1.00 0.00 H new ATOM 234 N ALA A 16 12.417 -11.009 -1.928 1.00 0.00 N ATOM 235 CA ALA A 16 11.411 -11.819 -2.610 1.00 0.00 C ATOM 236 C ALA A 16 10.021 -11.549 -2.043 1.00 0.00 C ATOM 237 O ALA A 16 9.024 -11.565 -2.770 1.00 0.00 O ATOM 238 CB ALA A 16 11.753 -13.296 -2.494 1.00 0.00 C ATOM 0 H ALA A 16 13.130 -11.548 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 16 11.408 -11.543 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.994 -13.887 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.726 -13.481 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.785 -13.581 -1.442 1.00 0.00 H new ATOM 244 N HIS A 17 9.961 -11.278 -0.741 1.00 0.00 N ATOM 245 CA HIS A 17 8.700 -10.962 -0.084 1.00 0.00 C ATOM 246 C HIS A 17 8.212 -9.590 -0.514 1.00 0.00 C ATOM 247 O HIS A 17 7.013 -9.361 -0.636 1.00 0.00 O ATOM 248 CB HIS A 17 8.839 -11.012 1.443 1.00 0.00 C ATOM 249 CG HIS A 17 8.939 -12.399 1.993 1.00 0.00 C ATOM 250 ND1 HIS A 17 9.901 -12.789 2.900 1.00 0.00 N ATOM 251 CD2 HIS A 17 8.176 -13.493 1.769 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.726 -14.060 3.204 1.00 0.00 C ATOM 253 NE2 HIS A 17 8.685 -14.510 2.534 1.00 0.00 N ATOM 0 H HIS A 17 10.772 -11.272 -0.122 1.00 0.00 H new ATOM 0 HA HIS A 17 7.970 -11.714 -0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.725 -10.450 1.737 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.981 -10.513 1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.323 -13.554 1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.334 -14.635 3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.318 -15.461 2.577 1.00 0.00 H new ATOM 262 N THR A 18 9.154 -8.689 -0.759 1.00 0.00 N ATOM 263 CA THR A 18 8.831 -7.338 -1.189 1.00 0.00 C ATOM 264 C THR A 18 8.125 -7.354 -2.547 1.00 0.00 C ATOM 265 O THR A 18 7.132 -6.652 -2.747 1.00 0.00 O ATOM 266 CB THR A 18 10.105 -6.478 -1.273 1.00 0.00 C ATOM 267 OG1 THR A 18 10.870 -6.638 -0.070 1.00 0.00 O ATOM 268 CG2 THR A 18 9.763 -5.010 -1.465 1.00 0.00 C ATOM 0 H THR A 18 10.153 -8.872 -0.666 1.00 0.00 H new ATOM 0 HA THR A 18 8.158 -6.902 -0.450 1.00 0.00 H new ATOM 0 HB THR A 18 10.687 -6.810 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.751 -6.224 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.682 -4.427 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.198 -4.886 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.164 -4.663 -0.623 1.00 0.00 H new ATOM 276 N TYR A 19 8.630 -8.175 -3.467 1.00 0.00 N ATOM 277 CA TYR A 19 8.024 -8.306 -4.789 1.00 0.00 C ATOM 278 C TYR A 19 6.629 -8.914 -4.688 1.00 0.00 C ATOM 279 O TYR A 19 5.702 -8.487 -5.378 1.00 0.00 O ATOM 280 CB TYR A 19 8.887 -9.177 -5.706 1.00 0.00 C ATOM 281 CG TYR A 19 10.188 -8.539 -6.145 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.208 -7.585 -7.156 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.394 -8.898 -5.559 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.395 -7.006 -7.568 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.585 -8.328 -5.966 1.00 0.00 C ATOM 286 CZ TYR A 19 12.580 -7.381 -6.969 1.00 0.00 C ATOM 287 OH TYR A 19 13.770 -6.817 -7.380 1.00 0.00 O ATOM 0 H TYR A 19 9.455 -8.757 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 19 7.951 -7.305 -5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.112 -10.111 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.307 -9.433 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.282 -7.291 -7.627 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.402 -9.636 -4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.394 -6.265 -8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.515 -8.622 -5.502 1.00 0.00 H new ATOM 0 HH TYR A 19 14.508 -7.191 -6.854 1.00 0.00 H new ATOM 297 N MET A 20 6.481 -9.908 -3.818 1.00 0.00 N ATOM 298 CA MET A 20 5.220 -10.630 -3.709 1.00 0.00 C ATOM 299 C MET A 20 4.164 -9.806 -2.984 1.00 0.00 C ATOM 300 O MET A 20 2.996 -9.833 -3.355 1.00 0.00 O ATOM 301 CB MET A 20 5.409 -11.974 -3.009 1.00 0.00 C ATOM 302 CG MET A 20 4.175 -12.858 -3.089 1.00 0.00 C ATOM 303 SD MET A 20 4.444 -14.487 -2.361 1.00 0.00 S ATOM 304 CE MET A 20 2.907 -15.305 -2.788 1.00 0.00 C ATOM 0 H MET A 20 7.212 -10.229 -3.184 1.00 0.00 H new ATOM 0 HA MET A 20 4.870 -10.815 -4.725 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.254 -12.496 -3.457 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.660 -11.801 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.347 -12.367 -2.578 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.882 -12.974 -4.132 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.704 -16.097 -2.067 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.093 -14.581 -2.771 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.989 -15.735 -3.786 1.00 0.00 H new ATOM 314 N ALA A 21 4.573 -9.065 -1.964 1.00 0.00 N ATOM 315 CA ALA A 21 3.647 -8.219 -1.224 1.00 0.00 C ATOM 316 C ALA A 21 3.009 -7.191 -2.150 1.00 0.00 C ATOM 317 O ALA A 21 1.814 -6.910 -2.057 1.00 0.00 O ATOM 318 CB ALA A 21 4.361 -7.530 -0.073 1.00 0.00 C ATOM 0 H ALA A 21 5.536 -9.032 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 21 2.858 -8.848 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.655 -6.902 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.772 -8.281 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.170 -6.913 -0.464 1.00 0.00 H new ATOM 324 N ALA A 22 3.815 -6.656 -3.061 1.00 0.00 N ATOM 325 CA ALA A 22 3.346 -5.671 -4.023 1.00 0.00 C ATOM 326 C ALA A 22 2.315 -6.273 -4.973 1.00 0.00 C ATOM 327 O ALA A 22 1.247 -5.698 -5.199 1.00 0.00 O ATOM 328 CB ALA A 22 4.519 -5.109 -4.811 1.00 0.00 C ATOM 0 H ALA A 22 4.803 -6.892 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 22 2.865 -4.863 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.156 -4.373 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.222 -4.634 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.020 -5.917 -5.343 1.00 0.00 H new ATOM 334 N GLN A 23 2.636 -7.440 -5.514 1.00 0.00 N ATOM 335 CA GLN A 23 1.772 -8.094 -6.492 1.00 0.00 C ATOM 336 C GLN A 23 0.517 -8.660 -5.826 1.00 0.00 C ATOM 337 O GLN A 23 -0.538 -8.738 -6.451 1.00 0.00 O ATOM 338 CB GLN A 23 2.537 -9.201 -7.226 1.00 0.00 C ATOM 339 CG GLN A 23 2.914 -10.376 -6.342 1.00 0.00 C ATOM 340 CD GLN A 23 3.921 -11.303 -6.985 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.809 -10.746 -7.790 1.00 0.00 O flip ATOM 342 NE2 GLN A 23 3.912 -12.507 -6.740 1.00 0.00 N flip ATOM 0 H GLN A 23 3.488 -7.955 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 23 1.458 -7.346 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.928 -9.563 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.444 -8.778 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.322 -10.001 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.015 -10.941 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.208 -12.894 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.609 -13.119 -7.164 1.00 0.00 H new ATOM 351 N ALA A 24 0.631 -9.044 -4.557 1.00 0.00 N ATOM 352 CA ALA A 24 -0.501 -9.589 -3.817 1.00 0.00 C ATOM 353 C ALA A 24 -1.484 -8.487 -3.447 1.00 0.00 C ATOM 354 O ALA A 24 -2.698 -8.678 -3.512 1.00 0.00 O ATOM 355 CB ALA A 24 -0.030 -10.316 -2.569 1.00 0.00 C ATOM 0 H ALA A 24 1.497 -8.987 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.011 -10.305 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.891 -10.714 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.631 -11.135 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.509 -9.621 -1.925 1.00 0.00 H new ATOM 361 N LEU A 25 -0.954 -7.337 -3.050 1.00 0.00 N ATOM 362 CA LEU A 25 -1.789 -6.169 -2.780 1.00 0.00 C ATOM 363 C LEU A 25 -2.505 -5.717 -4.049 1.00 0.00 C ATOM 364 O LEU A 25 -3.694 -5.392 -4.025 1.00 0.00 O ATOM 365 CB LEU A 25 -0.956 -5.016 -2.219 1.00 0.00 C ATOM 366 CG LEU A 25 -0.554 -5.163 -0.751 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.369 -4.028 -0.333 1.00 0.00 C ATOM 368 CD2 LEU A 25 -1.792 -5.198 0.136 1.00 0.00 C ATOM 0 H LEU A 25 0.045 -7.186 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.531 -6.457 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.052 -4.915 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.520 -4.090 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.016 -6.103 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.644 -4.150 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.268 -4.045 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.143 -3.075 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.490 -5.303 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.354 -4.272 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.419 -6.044 -0.147 1.00 0.00 H new ATOM 380 N LYS A 26 -1.775 -5.708 -5.157 1.00 0.00 N ATOM 381 CA LYS A 26 -2.349 -5.349 -6.446 1.00 0.00 C ATOM 382 C LYS A 26 -3.394 -6.387 -6.856 1.00 0.00 C ATOM 383 O LYS A 26 -4.414 -6.055 -7.469 1.00 0.00 O ATOM 384 CB LYS A 26 -1.242 -5.234 -7.497 1.00 0.00 C ATOM 385 CG LYS A 26 -1.693 -4.605 -8.804 1.00 0.00 C ATOM 386 CD LYS A 26 -0.519 -4.392 -9.750 1.00 0.00 C ATOM 387 CE LYS A 26 0.504 -3.418 -9.180 1.00 0.00 C ATOM 388 NZ LYS A 26 1.689 -3.270 -10.068 1.00 0.00 N ATOM 0 H LYS A 26 -0.784 -5.946 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.843 -4.381 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.424 -4.643 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.845 -6.228 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.435 -5.245 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.178 -3.650 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.036 -5.349 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.886 -4.015 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.036 -2.444 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.828 -3.765 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.360 -2.599 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.152 -4.194 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.385 -2.914 -10.997 1.00 0.00 H new ATOM 402 N LYS A 27 -3.131 -7.642 -6.495 1.00 0.00 N ATOM 403 CA LYS A 27 -4.081 -8.732 -6.691 1.00 0.00 C ATOM 404 C LYS A 27 -5.407 -8.430 -6.002 1.00 0.00 C ATOM 405 O LYS A 27 -6.460 -8.433 -6.641 1.00 0.00 O ATOM 406 CB LYS A 27 -3.490 -10.048 -6.156 1.00 0.00 C ATOM 407 CG LYS A 27 -4.531 -11.071 -5.708 1.00 0.00 C ATOM 408 CD LYS A 27 -3.878 -12.344 -5.185 1.00 0.00 C ATOM 409 CE LYS A 27 -4.877 -13.241 -4.461 1.00 0.00 C ATOM 410 NZ LYS A 27 -5.274 -12.685 -3.136 1.00 0.00 N ATOM 0 H LYS A 27 -2.255 -7.930 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.270 -8.835 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.869 -10.495 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.835 -9.822 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.157 -10.636 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.186 -11.315 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.434 -12.892 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.066 -12.083 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.765 -13.368 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.441 -14.230 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.887 -13.366 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.423 -12.508 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.790 -11.793 -3.274 1.00 0.00 H new ATOM 424 N GLY A 28 -5.343 -8.161 -4.702 1.00 0.00 N ATOM 425 CA GLY A 28 -6.543 -7.926 -3.924 1.00 0.00 C ATOM 426 C GLY A 28 -7.312 -6.710 -4.393 1.00 0.00 C ATOM 427 O GLY A 28 -8.544 -6.724 -4.447 1.00 0.00 O ATOM 0 H GLY A 28 -4.474 -8.102 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.187 -8.803 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.273 -7.798 -2.876 1.00 0.00 H new ATOM 431 N ALA A 29 -6.587 -5.654 -4.731 1.00 0.00 N ATOM 432 CA ALA A 29 -7.210 -4.422 -5.182 1.00 0.00 C ATOM 433 C ALA A 29 -7.949 -4.631 -6.496 1.00 0.00 C ATOM 434 O ALA A 29 -9.107 -4.241 -6.632 1.00 0.00 O ATOM 435 CB ALA A 29 -6.174 -3.320 -5.323 1.00 0.00 C ATOM 0 H ALA A 29 -5.568 -5.627 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.938 -4.119 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.660 -2.405 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.698 -3.142 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.420 -3.621 -6.050 1.00 0.00 H new ATOM 441 N LYS A 30 -7.286 -5.259 -7.458 1.00 0.00 N ATOM 442 CA LYS A 30 -7.895 -5.502 -8.760 1.00 0.00 C ATOM 443 C LYS A 30 -9.009 -6.539 -8.671 1.00 0.00 C ATOM 444 O LYS A 30 -9.925 -6.545 -9.491 1.00 0.00 O ATOM 445 CB LYS A 30 -6.849 -5.929 -9.791 1.00 0.00 C ATOM 446 CG LYS A 30 -6.363 -4.787 -10.670 1.00 0.00 C ATOM 447 CD LYS A 30 -5.690 -3.689 -9.864 1.00 0.00 C ATOM 448 CE LYS A 30 -5.408 -2.468 -10.725 1.00 0.00 C ATOM 449 NZ LYS A 30 -6.661 -1.795 -11.164 1.00 0.00 N ATOM 0 H LYS A 30 -6.332 -5.608 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.335 -4.561 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.996 -6.366 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.271 -6.710 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.662 -5.173 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.207 -4.368 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.327 -3.407 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.757 -4.063 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.795 -1.763 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.831 -2.767 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.437 -0.845 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.110 -2.354 -11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.313 -1.715 -10.358 1.00 0.00 H new ATOM 463 N LYS A 31 -8.926 -7.407 -7.672 1.00 0.00 N ATOM 464 CA LYS A 31 -9.985 -8.374 -7.401 1.00 0.00 C ATOM 465 C LYS A 31 -11.292 -7.650 -7.093 1.00 0.00 C ATOM 466 O LYS A 31 -12.381 -8.129 -7.415 1.00 0.00 O ATOM 467 CB LYS A 31 -9.582 -9.269 -6.224 1.00 0.00 C ATOM 468 CG LYS A 31 -10.696 -10.159 -5.698 1.00 0.00 C ATOM 469 CD LYS A 31 -10.210 -11.025 -4.548 1.00 0.00 C ATOM 470 CE LYS A 31 -11.349 -11.798 -3.903 1.00 0.00 C ATOM 471 NZ LYS A 31 -12.299 -10.908 -3.181 1.00 0.00 N ATOM 0 H LYS A 31 -8.133 -7.462 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.133 -8.996 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.747 -9.898 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.223 -8.638 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.531 -9.543 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.069 -10.793 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.457 -11.724 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.727 -10.397 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.888 -12.354 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.940 -12.530 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.304 -11.153 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.002 -9.918 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.255 -11.030 -3.572 1.00 0.00 H new ATOM 485 N MET A 32 -11.168 -6.483 -6.478 1.00 0.00 N ATOM 486 CA MET A 32 -12.323 -5.678 -6.120 1.00 0.00 C ATOM 487 C MET A 32 -12.528 -4.559 -7.137 1.00 0.00 C ATOM 488 O MET A 32 -13.404 -3.708 -6.977 1.00 0.00 O ATOM 489 CB MET A 32 -12.142 -5.097 -4.717 1.00 0.00 C ATOM 490 CG MET A 32 -11.879 -6.147 -3.647 1.00 0.00 C ATOM 491 SD MET A 32 -13.159 -7.416 -3.572 1.00 0.00 S ATOM 492 CE MET A 32 -14.603 -6.426 -3.182 1.00 0.00 C ATOM 0 H MET A 32 -10.272 -6.072 -6.216 1.00 0.00 H new ATOM 0 HA MET A 32 -13.209 -6.313 -6.125 1.00 0.00 H new ATOM 0 HB2 MET A 32 -11.313 -4.390 -4.731 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.036 -4.534 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.917 -6.621 -3.840 1.00 0.00 H new ATOM 0 HG3 MET A 32 -11.804 -5.657 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.415 -7.078 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.360 -5.727 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.913 -5.870 -4.067 1.00 0.00 H new ATOM 502 N GLY A 33 -11.712 -4.577 -8.189 1.00 0.00 N ATOM 503 CA GLY A 33 -11.823 -3.590 -9.247 1.00 0.00 C ATOM 504 C GLY A 33 -11.360 -2.210 -8.822 1.00 0.00 C ATOM 505 O GLY A 33 -11.810 -1.202 -9.364 1.00 0.00 O ATOM 0 H GLY A 33 -10.971 -5.264 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.234 -3.917 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.861 -3.534 -9.576 1.00 0.00 H new ATOM 509 N ASN A 34 -10.442 -2.167 -7.872 1.00 0.00 N ATOM 510 CA ASN A 34 -9.964 -0.905 -7.319 1.00 0.00 C ATOM 511 C ASN A 34 -8.789 -0.356 -8.115 1.00 0.00 C ATOM 512 O ASN A 34 -8.211 -1.045 -8.962 1.00 0.00 O ATOM 513 CB ASN A 34 -9.540 -1.102 -5.864 1.00 0.00 C ATOM 514 CG ASN A 34 -10.698 -1.468 -4.962 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.779 -0.890 -5.046 1.00 0.00 O ATOM 516 ND2 ASN A 34 -10.491 -2.470 -4.127 1.00 0.00 N ATOM 0 H ASN A 34 -10.009 -2.995 -7.463 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.782 -0.187 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.784 -1.885 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.075 -0.186 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.245 -2.792 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.577 -2.922 -4.089 1.00 0.00 H new ATOM 523 N LEU A 35 -8.432 0.884 -7.821 1.00 0.00 N ATOM 524 CA LEU A 35 -7.303 1.542 -8.459 1.00 0.00 C ATOM 525 C LEU A 35 -6.190 1.708 -7.440 1.00 0.00 C ATOM 526 O LEU A 35 -6.374 2.370 -6.417 1.00 0.00 O ATOM 527 CB LEU A 35 -7.724 2.906 -9.007 1.00 0.00 C ATOM 528 CG LEU A 35 -8.906 2.880 -9.977 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.289 4.292 -10.374 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.572 2.054 -11.210 1.00 0.00 C ATOM 0 H LEU A 35 -8.916 1.462 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.950 0.934 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.977 3.555 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.870 3.356 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.754 2.415 -9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.132 4.260 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.570 4.856 -9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.441 4.776 -10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.426 2.049 -11.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.710 2.489 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.339 1.032 -10.911 1.00 0.00 H new ATOM 542 N ILE A 36 -5.044 1.107 -7.706 1.00 0.00 N ATOM 543 CA ILE A 36 -3.981 1.078 -6.722 1.00 0.00 C ATOM 544 C ILE A 36 -2.621 1.369 -7.350 1.00 0.00 C ATOM 545 O ILE A 36 -2.318 0.915 -8.456 1.00 0.00 O ATOM 546 CB ILE A 36 -3.943 -0.283 -5.981 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.949 -0.232 -4.817 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.597 -1.414 -6.942 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.926 -1.490 -3.974 1.00 0.00 C ATOM 0 H ILE A 36 -4.828 0.638 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.196 1.865 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.935 -0.480 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.949 -0.054 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.195 0.617 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.576 -2.359 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.348 -1.465 -7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.619 -1.228 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.198 -1.376 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.914 -1.660 -3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.649 -2.340 -4.597 1.00 0.00 H new ATOM 561 N LYS A 37 -1.818 2.149 -6.647 1.00 0.00 N ATOM 562 CA LYS A 37 -0.443 2.393 -7.044 1.00 0.00 C ATOM 563 C LYS A 37 0.497 1.836 -5.990 1.00 0.00 C ATOM 564 O LYS A 37 0.572 2.353 -4.873 1.00 0.00 O ATOM 565 CB LYS A 37 -0.174 3.885 -7.255 1.00 0.00 C ATOM 566 CG LYS A 37 -0.707 4.424 -8.573 1.00 0.00 C ATOM 567 CD LYS A 37 -0.226 3.581 -9.745 1.00 0.00 C ATOM 568 CE LYS A 37 -0.461 4.273 -11.077 1.00 0.00 C ATOM 569 NZ LYS A 37 0.474 5.408 -11.291 1.00 0.00 N ATOM 0 H LYS A 37 -2.098 2.628 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.269 1.889 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.624 4.445 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.901 4.061 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.797 4.434 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.382 5.456 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.837 3.371 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.744 2.622 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.345 3.551 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.488 4.637 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.521 5.632 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.135 6.240 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.421 5.147 -10.950 1.00 0.00 H new ATOM 583 N VAL A 38 1.189 0.766 -6.340 1.00 0.00 N ATOM 584 CA VAL A 38 2.070 0.093 -5.403 1.00 0.00 C ATOM 585 C VAL A 38 3.523 0.464 -5.656 1.00 0.00 C ATOM 586 O VAL A 38 4.061 0.223 -6.736 1.00 0.00 O ATOM 587 CB VAL A 38 1.924 -1.442 -5.475 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.723 -2.107 -4.363 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.461 -1.854 -5.410 1.00 0.00 C ATOM 0 H VAL A 38 1.157 0.344 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 38 1.776 0.426 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 38 2.324 -1.777 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.608 -3.189 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.776 -1.847 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.357 -1.762 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.386 -2.940 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.026 -1.505 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.079 -1.412 -6.247 1.00 0.00 H new ATOM 599 N GLU A 39 4.143 1.062 -4.658 1.00 0.00 N ATOM 600 CA GLU A 39 5.555 1.378 -4.711 1.00 0.00 C ATOM 601 C GLU A 39 6.366 0.264 -4.055 1.00 0.00 C ATOM 602 O GLU A 39 5.865 -0.458 -3.193 1.00 0.00 O ATOM 603 CB GLU A 39 5.813 2.699 -3.991 1.00 0.00 C ATOM 604 CG GLU A 39 7.266 3.138 -4.012 1.00 0.00 C ATOM 605 CD GLU A 39 7.512 4.343 -3.138 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.895 5.388 -3.395 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.335 4.252 -2.210 1.00 0.00 O ATOM 0 H GLU A 39 3.684 1.341 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 39 5.860 1.470 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.202 3.477 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.487 2.607 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.897 2.314 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.559 3.369 -5.036 1.00 0.00 H new ATOM 614 N THR A 40 7.607 0.120 -4.481 1.00 0.00 N ATOM 615 CA THR A 40 8.512 -0.853 -3.904 1.00 0.00 C ATOM 616 C THR A 40 9.855 -0.191 -3.596 1.00 0.00 C ATOM 617 O THR A 40 10.399 0.535 -4.428 1.00 0.00 O ATOM 618 CB THR A 40 8.705 -2.049 -4.859 1.00 0.00 C ATOM 619 OG1 THR A 40 7.453 -2.732 -5.028 1.00 0.00 O ATOM 620 CG2 THR A 40 9.750 -3.020 -4.336 1.00 0.00 C ATOM 0 H THR A 40 8.014 0.673 -5.235 1.00 0.00 H new ATOM 0 HA THR A 40 8.081 -1.228 -2.976 1.00 0.00 H new ATOM 0 HB THR A 40 9.055 -1.665 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.029 -2.860 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.858 -3.849 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.705 -2.505 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.437 -3.403 -3.365 1.00 0.00 H new ATOM 628 N GLN A 41 10.364 -0.411 -2.394 1.00 0.00 N ATOM 629 CA GLN A 41 11.626 0.178 -1.982 1.00 0.00 C ATOM 630 C GLN A 41 12.548 -0.899 -1.421 1.00 0.00 C ATOM 631 O GLN A 41 12.135 -1.723 -0.606 1.00 0.00 O ATOM 632 CB GLN A 41 11.369 1.282 -0.949 1.00 0.00 C ATOM 633 CG GLN A 41 12.602 2.097 -0.591 1.00 0.00 C ATOM 634 CD GLN A 41 13.160 1.765 0.780 1.00 0.00 C ATOM 635 OE1 GLN A 41 13.041 0.640 1.263 1.00 0.00 O ATOM 636 NE2 GLN A 41 13.788 2.742 1.412 1.00 0.00 N ATOM 0 H GLN A 41 9.920 -0.995 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 41 12.118 0.625 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.602 1.954 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.970 0.830 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.374 1.925 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.352 3.157 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.866 3.662 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.194 2.576 2.333 1.00 0.00 H new ATOM 645 N GLY A 42 13.786 -0.909 -1.888 1.00 0.00 N ATOM 646 CA GLY A 42 14.747 -1.882 -1.420 1.00 0.00 C ATOM 647 C GLY A 42 15.771 -1.271 -0.489 1.00 0.00 C ATOM 648 O GLY A 42 16.929 -1.093 -0.872 1.00 0.00 O ATOM 0 H GLY A 42 14.143 -0.257 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.224 -2.688 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.256 -2.328 -2.275 1.00 0.00 H new ATOM 652 N ALA A 43 15.314 -0.894 0.709 1.00 0.00 N ATOM 653 CA ALA A 43 16.176 -0.387 1.790 1.00 0.00 C ATOM 654 C ALA A 43 16.661 1.038 1.520 1.00 0.00 C ATOM 655 O ALA A 43 16.695 1.873 2.422 1.00 0.00 O ATOM 656 CB ALA A 43 17.357 -1.318 2.039 1.00 0.00 C ATOM 0 H ALA A 43 14.326 -0.931 0.962 1.00 0.00 H new ATOM 0 HA ALA A 43 15.565 -0.359 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.974 -0.916 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.989 -2.304 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.953 -1.401 1.130 1.00 0.00 H new ATOM 662 N THR A 44 17.045 1.309 0.286 1.00 0.00 N ATOM 663 CA THR A 44 17.484 2.639 -0.099 1.00 0.00 C ATOM 664 C THR A 44 17.163 2.907 -1.571 1.00 0.00 C ATOM 665 O THR A 44 17.068 4.059 -2.002 1.00 0.00 O ATOM 666 CB THR A 44 18.997 2.822 0.165 1.00 0.00 C ATOM 667 OG1 THR A 44 19.378 4.188 -0.042 1.00 0.00 O ATOM 668 CG2 THR A 44 19.830 1.918 -0.733 1.00 0.00 C ATOM 0 H THR A 44 17.062 0.624 -0.469 1.00 0.00 H new ATOM 0 HA THR A 44 16.943 3.361 0.512 1.00 0.00 H new ATOM 0 HB THR A 44 19.186 2.546 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.337 4.290 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.888 2.071 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.569 0.877 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.630 2.158 -1.777 1.00 0.00 H new ATOM 676 N GLY A 45 16.973 1.838 -2.338 1.00 0.00 N ATOM 677 CA GLY A 45 16.647 1.986 -3.739 1.00 0.00 C ATOM 678 C GLY A 45 15.159 1.923 -3.968 1.00 0.00 C ATOM 679 O GLY A 45 14.541 0.876 -3.785 1.00 0.00 O ATOM 0 H GLY A 45 17.040 0.874 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.033 2.937 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.138 1.201 -4.313 1.00 0.00 H new ATOM 683 N ILE A 46 14.578 3.045 -4.344 1.00 0.00 N ATOM 684 CA ILE A 46 13.144 3.121 -4.559 1.00 0.00 C ATOM 685 C ILE A 46 12.812 2.827 -6.020 1.00 0.00 C ATOM 686 O ILE A 46 13.371 3.447 -6.927 1.00 0.00 O ATOM 687 CB ILE A 46 12.588 4.511 -4.178 1.00 0.00 C ATOM 688 CG1 ILE A 46 13.047 4.902 -2.770 1.00 0.00 C ATOM 689 CG2 ILE A 46 11.071 4.507 -4.255 1.00 0.00 C ATOM 690 CD1 ILE A 46 12.602 6.287 -2.346 1.00 0.00 C ATOM 0 H ILE A 46 15.077 3.919 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 46 12.676 2.374 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 46 12.973 5.246 -4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.663 4.173 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.135 4.850 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.690 5.492 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.759 4.264 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.674 3.762 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.964 6.493 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 46 13.008 7.027 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.513 6.339 -2.358 1.00 0.00 H new ATOM 702 N GLU A 47 11.909 1.881 -6.241 1.00 0.00 N ATOM 703 CA GLU A 47 11.519 1.481 -7.588 1.00 0.00 C ATOM 704 C GLU A 47 10.645 2.539 -8.249 1.00 0.00 C ATOM 705 O GLU A 47 11.023 3.133 -9.258 1.00 0.00 O ATOM 706 CB GLU A 47 10.759 0.154 -7.541 1.00 0.00 C ATOM 707 CG GLU A 47 11.635 -1.059 -7.280 1.00 0.00 C ATOM 708 CD GLU A 47 12.208 -1.646 -8.552 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.496 -2.432 -9.216 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.369 -1.344 -8.890 1.00 0.00 O ATOM 0 H GLU A 47 11.429 1.372 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 47 12.429 1.366 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.998 0.212 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.237 0.014 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.451 -0.777 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.051 -1.821 -6.764 1.00 0.00 H new ATOM 717 N ASN A 48 9.476 2.768 -7.673 1.00 0.00 N ATOM 718 CA ASN A 48 8.496 3.660 -8.277 1.00 0.00 C ATOM 719 C ASN A 48 8.718 5.108 -7.856 1.00 0.00 C ATOM 720 O ASN A 48 8.842 5.987 -8.708 1.00 0.00 O ATOM 721 CB ASN A 48 7.075 3.230 -7.906 1.00 0.00 C ATOM 722 CG ASN A 48 6.017 4.113 -8.544 1.00 0.00 C ATOM 723 OD1 ASN A 48 6.202 4.627 -9.647 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.903 4.298 -7.856 1.00 0.00 N ATOM 0 H ASN A 48 9.182 2.350 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 48 8.623 3.595 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.918 2.197 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.962 3.257 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.160 4.884 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.787 3.855 -6.945 1.00 0.00 H new ATOM 731 N GLU A 49 8.793 5.331 -6.545 1.00 0.00 N ATOM 732 CA GLU A 49 8.793 6.677 -5.973 1.00 0.00 C ATOM 733 C GLU A 49 7.446 7.329 -6.270 1.00 0.00 C ATOM 734 O GLU A 49 7.273 8.031 -7.269 1.00 0.00 O ATOM 735 CB GLU A 49 9.972 7.513 -6.502 1.00 0.00 C ATOM 736 CG GLU A 49 10.330 8.720 -5.640 1.00 0.00 C ATOM 737 CD GLU A 49 9.458 9.930 -5.902 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.467 10.433 -7.046 1.00 0.00 O ATOM 739 OE2 GLU A 49 8.793 10.411 -4.961 1.00 0.00 O ATOM 0 H GLU A 49 8.855 4.586 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 49 8.929 6.619 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.848 6.870 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.733 7.859 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.247 8.443 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.372 8.987 -5.818 1.00 0.00 H new ATOM 746 N LEU A 50 6.485 7.023 -5.412 1.00 0.00 N ATOM 747 CA LEU A 50 5.105 7.405 -5.595 1.00 0.00 C ATOM 748 C LEU A 50 4.947 8.921 -5.541 1.00 0.00 C ATOM 749 O LEU A 50 5.112 9.543 -4.488 1.00 0.00 O ATOM 750 CB LEU A 50 4.284 6.712 -4.510 1.00 0.00 C ATOM 751 CG LEU A 50 2.804 6.545 -4.801 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.594 5.899 -6.160 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.153 5.703 -3.717 1.00 0.00 C ATOM 0 H LEU A 50 6.651 6.493 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 50 4.751 7.095 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.713 5.726 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.391 7.278 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 50 2.340 7.531 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.526 5.788 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.036 6.527 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.069 4.918 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.091 5.588 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.625 4.721 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.275 6.195 -2.752 1.00 0.00 H new ATOM 765 N THR A 51 4.638 9.508 -6.689 1.00 0.00 N ATOM 766 CA THR A 51 4.544 10.953 -6.811 1.00 0.00 C ATOM 767 C THR A 51 3.347 11.487 -6.031 1.00 0.00 C ATOM 768 O THR A 51 2.444 10.728 -5.670 1.00 0.00 O ATOM 769 CB THR A 51 4.428 11.394 -8.286 1.00 0.00 C ATOM 770 OG1 THR A 51 3.143 11.038 -8.817 1.00 0.00 O ATOM 771 CG2 THR A 51 5.519 10.760 -9.137 1.00 0.00 C ATOM 0 H THR A 51 4.447 9.001 -7.553 1.00 0.00 H new ATOM 0 HA THR A 51 5.462 11.367 -6.395 1.00 0.00 H new ATOM 0 HB THR A 51 4.546 12.477 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.027 10.066 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.412 11.089 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.496 11.062 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.432 9.674 -9.091 1.00 0.00 H new ATOM 779 N GLU A 52 3.335 12.792 -5.786 1.00 0.00 N ATOM 780 CA GLU A 52 2.255 13.409 -5.029 1.00 0.00 C ATOM 781 C GLU A 52 0.931 13.250 -5.763 1.00 0.00 C ATOM 782 O GLU A 52 -0.108 13.056 -5.141 1.00 0.00 O ATOM 783 CB GLU A 52 2.538 14.891 -4.784 1.00 0.00 C ATOM 784 CG GLU A 52 3.819 15.145 -4.011 1.00 0.00 C ATOM 785 CD GLU A 52 3.996 16.601 -3.649 1.00 0.00 C ATOM 786 OE1 GLU A 52 4.067 17.444 -4.567 1.00 0.00 O ATOM 787 OE2 GLU A 52 4.078 16.913 -2.443 1.00 0.00 O ATOM 0 H GLU A 52 4.058 13.440 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 52 2.190 12.904 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.594 15.405 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.701 15.327 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.816 14.545 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.670 14.816 -4.606 1.00 0.00 H new ATOM 794 N LYS A 53 0.981 13.310 -7.086 1.00 0.00 N ATOM 795 CA LYS A 53 -0.216 13.161 -7.905 1.00 0.00 C ATOM 796 C LYS A 53 -0.822 11.770 -7.744 1.00 0.00 C ATOM 797 O LYS A 53 -2.038 11.632 -7.620 1.00 0.00 O ATOM 798 CB LYS A 53 0.108 13.449 -9.371 1.00 0.00 C ATOM 799 CG LYS A 53 0.467 14.906 -9.621 1.00 0.00 C ATOM 800 CD LYS A 53 0.869 15.156 -11.064 1.00 0.00 C ATOM 801 CE LYS A 53 1.161 16.629 -11.309 1.00 0.00 C ATOM 802 NZ LYS A 53 -0.066 17.464 -11.217 1.00 0.00 N ATOM 0 H LYS A 53 1.839 13.461 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.957 13.885 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.938 12.816 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.750 13.180 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.385 15.537 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.285 15.195 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.751 14.563 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.071 14.826 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.893 16.979 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.609 16.750 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.138 18.421 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.821 17.037 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.375 17.519 -10.225 1.00 0.00 H new ATOM 816 N ASP A 54 0.025 10.745 -7.725 1.00 0.00 N ATOM 817 CA ASP A 54 -0.441 9.377 -7.486 1.00 0.00 C ATOM 818 C ASP A 54 -0.972 9.251 -6.071 1.00 0.00 C ATOM 819 O ASP A 54 -2.055 8.710 -5.836 1.00 0.00 O ATOM 820 CB ASP A 54 0.684 8.355 -7.681 1.00 0.00 C ATOM 821 CG ASP A 54 1.142 8.226 -9.116 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.402 7.638 -9.929 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.262 8.687 -9.427 1.00 0.00 O ATOM 0 H ASP A 54 1.031 10.831 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.231 9.170 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.534 8.640 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.344 7.381 -7.328 1.00 0.00 H new ATOM 828 N VAL A 55 -0.195 9.772 -5.136 1.00 0.00 N ATOM 829 CA VAL A 55 -0.540 9.748 -3.726 1.00 0.00 C ATOM 830 C VAL A 55 -1.891 10.406 -3.461 1.00 0.00 C ATOM 831 O VAL A 55 -2.728 9.854 -2.749 1.00 0.00 O ATOM 832 CB VAL A 55 0.546 10.460 -2.897 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.044 10.772 -1.504 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.801 9.614 -2.824 1.00 0.00 C ATOM 0 H VAL A 55 0.697 10.225 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.606 8.702 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 55 0.787 11.400 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.829 11.274 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.829 11.421 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.230 9.845 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.556 10.134 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.569 8.658 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.182 9.441 -3.830 1.00 0.00 H new ATOM 844 N ASN A 56 -2.097 11.580 -4.039 1.00 0.00 N ATOM 845 CA ASN A 56 -3.306 12.362 -3.790 1.00 0.00 C ATOM 846 C ASN A 56 -4.534 11.745 -4.450 1.00 0.00 C ATOM 847 O ASN A 56 -5.659 12.184 -4.213 1.00 0.00 O ATOM 848 CB ASN A 56 -3.112 13.808 -4.255 1.00 0.00 C ATOM 849 CG ASN A 56 -2.228 14.595 -3.304 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.271 14.396 -2.089 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.402 15.472 -3.849 1.00 0.00 N ATOM 0 H ASN A 56 -1.441 12.016 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.482 12.357 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.668 13.813 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.083 14.297 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.770 16.013 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.397 15.608 -4.860 1.00 0.00 H new ATOM 858 N ILE A 57 -4.323 10.735 -5.282 1.00 0.00 N ATOM 859 CA ILE A 57 -5.431 9.973 -5.831 1.00 0.00 C ATOM 860 C ILE A 57 -5.880 8.927 -4.816 1.00 0.00 C ATOM 861 O ILE A 57 -7.065 8.826 -4.503 1.00 0.00 O ATOM 862 CB ILE A 57 -5.059 9.282 -7.162 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.754 10.332 -8.234 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.183 8.361 -7.621 1.00 0.00 C ATOM 865 CD1 ILE A 57 -4.307 9.748 -9.557 1.00 0.00 C ATOM 0 H ILE A 57 -3.400 10.427 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.243 10.670 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.167 8.677 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.645 10.938 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.978 11.001 -7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.902 7.884 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.359 7.597 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.093 8.943 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.110 10.555 -10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.397 9.166 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.091 9.102 -9.953 1.00 0.00 H new ATOM 877 N GLY A 58 -4.916 8.175 -4.291 1.00 0.00 N ATOM 878 CA GLY A 58 -5.211 7.139 -3.315 1.00 0.00 C ATOM 879 C GLY A 58 -5.745 7.698 -2.009 1.00 0.00 C ATOM 880 O GLY A 58 -5.252 8.710 -1.503 1.00 0.00 O ATOM 0 H GLY A 58 -3.928 8.266 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.942 6.448 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.306 6.565 -3.116 1.00 0.00 H new ATOM 884 N GLU A 59 -6.742 7.023 -1.463 1.00 0.00 N ATOM 885 CA GLU A 59 -7.381 7.443 -0.226 1.00 0.00 C ATOM 886 C GLU A 59 -6.660 6.835 0.975 1.00 0.00 C ATOM 887 O GLU A 59 -6.078 7.550 1.795 1.00 0.00 O ATOM 888 CB GLU A 59 -8.852 7.018 -0.245 1.00 0.00 C ATOM 889 CG GLU A 59 -9.592 7.497 -1.483 1.00 0.00 C ATOM 890 CD GLU A 59 -10.955 6.855 -1.652 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.033 5.771 -2.272 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.954 7.445 -1.191 1.00 0.00 O ATOM 0 H GLU A 59 -7.131 6.170 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.326 8.528 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.911 5.931 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.349 7.409 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.712 8.579 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.987 7.286 -2.364 1.00 0.00 H new ATOM 899 N VAL A 60 -6.683 5.510 1.059 1.00 0.00 N ATOM 900 CA VAL A 60 -6.007 4.800 2.135 1.00 0.00 C ATOM 901 C VAL A 60 -4.629 4.336 1.699 1.00 0.00 C ATOM 902 O VAL A 60 -4.404 4.027 0.525 1.00 0.00 O ATOM 903 CB VAL A 60 -6.813 3.583 2.635 1.00 0.00 C ATOM 904 CG1 VAL A 60 -7.986 4.037 3.483 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.295 2.729 1.469 1.00 0.00 C ATOM 0 H VAL A 60 -7.164 4.906 0.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.915 5.510 2.957 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.154 2.971 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.544 3.167 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.618 4.596 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.640 4.675 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.860 1.878 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.934 3.327 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.436 2.369 0.902 1.00 0.00 H new ATOM 915 N VAL A 61 -3.713 4.297 2.649 1.00 0.00 N ATOM 916 CA VAL A 61 -2.344 3.907 2.381 1.00 0.00 C ATOM 917 C VAL A 61 -2.000 2.629 3.131 1.00 0.00 C ATOM 918 O VAL A 61 -2.239 2.523 4.333 1.00 0.00 O ATOM 919 CB VAL A 61 -1.361 5.011 2.806 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.048 4.693 2.327 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.826 6.366 2.298 1.00 0.00 C ATOM 0 H VAL A 61 -3.897 4.534 3.624 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.254 3.742 1.307 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.338 5.053 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.726 5.487 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.374 3.747 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.054 4.617 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.118 7.134 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.885 6.346 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.809 6.591 2.711 1.00 0.00 H new ATOM 931 N ILE A 62 -1.444 1.664 2.422 1.00 0.00 N ATOM 932 CA ILE A 62 -1.041 0.409 3.031 1.00 0.00 C ATOM 933 C ILE A 62 0.469 0.240 2.940 1.00 0.00 C ATOM 934 O ILE A 62 1.047 0.316 1.856 1.00 0.00 O ATOM 935 CB ILE A 62 -1.733 -0.798 2.357 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.255 -0.651 2.433 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.290 -2.099 3.014 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.009 -1.744 1.703 1.00 0.00 C ATOM 0 H ILE A 62 -1.261 1.725 1.421 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.346 0.440 4.077 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.440 -0.824 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.559 -0.649 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.539 0.315 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.786 -2.939 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.210 -2.208 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.556 -2.082 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.081 -1.574 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.734 -1.733 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.755 -2.712 2.135 1.00 0.00 H new ATOM 950 N PHE A 63 1.110 0.035 4.080 1.00 0.00 N ATOM 951 CA PHE A 63 2.542 -0.211 4.100 1.00 0.00 C ATOM 952 C PHE A 63 2.837 -1.655 4.442 1.00 0.00 C ATOM 953 O PHE A 63 2.649 -2.083 5.581 1.00 0.00 O ATOM 954 CB PHE A 63 3.269 0.693 5.099 1.00 0.00 C ATOM 955 CG PHE A 63 3.478 2.096 4.623 1.00 0.00 C ATOM 956 CD1 PHE A 63 4.415 2.367 3.644 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.753 3.142 5.161 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.626 3.659 3.211 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.958 4.436 4.731 1.00 0.00 C ATOM 960 CZ PHE A 63 3.895 4.693 3.753 1.00 0.00 C ATOM 0 H PHE A 63 0.664 0.034 4.997 1.00 0.00 H new ATOM 0 HA PHE A 63 2.908 0.014 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.700 0.718 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.239 0.252 5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.988 1.559 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.018 2.944 5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.363 3.860 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.386 5.246 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.056 5.705 3.412 1.00 0.00 H new ATOM 970 N ALA A 64 3.274 -2.407 3.449 1.00 0.00 N ATOM 971 CA ALA A 64 3.817 -3.727 3.691 1.00 0.00 C ATOM 972 C ALA A 64 5.324 -3.603 3.746 1.00 0.00 C ATOM 973 O ALA A 64 6.013 -3.703 2.726 1.00 0.00 O ATOM 974 CB ALA A 64 3.390 -4.700 2.606 1.00 0.00 C ATOM 0 H ALA A 64 3.263 -2.125 2.469 1.00 0.00 H new ATOM 0 HA ALA A 64 3.438 -4.121 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.812 -5.684 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.302 -4.769 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.749 -4.347 1.639 1.00 0.00 H new ATOM 980 N VAL A 65 5.841 -3.357 4.934 1.00 0.00 N ATOM 981 CA VAL A 65 7.229 -2.964 5.071 1.00 0.00 C ATOM 982 C VAL A 65 7.916 -3.643 6.240 1.00 0.00 C ATOM 983 O VAL A 65 7.282 -4.068 7.204 1.00 0.00 O ATOM 984 CB VAL A 65 7.372 -1.431 5.241 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.995 -0.700 3.964 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.524 -0.938 6.405 1.00 0.00 C ATOM 0 H VAL A 65 5.325 -3.422 5.812 1.00 0.00 H new ATOM 0 HA VAL A 65 7.713 -3.282 4.148 1.00 0.00 H new ATOM 0 HB VAL A 65 8.418 -1.216 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.105 0.374 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.649 -1.022 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.960 -0.926 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.639 0.141 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.477 -1.176 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.849 -1.426 7.324 1.00 0.00 H new ATOM 996 N ASP A 66 9.221 -3.753 6.106 1.00 0.00 N ATOM 997 CA ASP A 66 10.100 -4.188 7.174 1.00 0.00 C ATOM 998 C ASP A 66 10.991 -3.019 7.572 1.00 0.00 C ATOM 999 O ASP A 66 11.422 -2.898 8.717 1.00 0.00 O ATOM 1000 CB ASP A 66 10.945 -5.370 6.700 1.00 0.00 C ATOM 1001 CG ASP A 66 12.033 -5.750 7.680 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.708 -6.329 8.736 1.00 0.00 O ATOM 1003 OD2 ASP A 66 13.222 -5.497 7.379 1.00 0.00 O ATOM 0 H ASP A 66 9.710 -3.539 5.237 1.00 0.00 H new ATOM 0 HA ASP A 66 9.516 -4.511 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.296 -6.230 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.398 -5.123 5.740 1.00 0.00 H new ATOM 1008 N THR A 67 11.217 -2.136 6.610 1.00 0.00 N ATOM 1009 CA THR A 67 12.053 -0.966 6.808 1.00 0.00 C ATOM 1010 C THR A 67 11.242 0.309 6.536 1.00 0.00 C ATOM 1011 O THR A 67 10.082 0.232 6.122 1.00 0.00 O ATOM 1012 CB THR A 67 13.297 -1.032 5.889 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.209 0.032 6.188 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.903 -0.974 4.419 1.00 0.00 C ATOM 0 H THR A 67 10.825 -2.212 5.671 1.00 0.00 H new ATOM 0 HA THR A 67 12.396 -0.945 7.843 1.00 0.00 H new ATOM 0 HB THR A 67 13.790 -1.986 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.988 -0.030 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.799 -1.022 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.253 -1.817 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.375 -0.041 4.220 1.00 0.00 H new ATOM 1022 N LYS A 68 11.839 1.470 6.777 1.00 0.00 N ATOM 1023 CA LYS A 68 11.130 2.738 6.619 1.00 0.00 C ATOM 1024 C LYS A 68 11.225 3.237 5.174 1.00 0.00 C ATOM 1025 O LYS A 68 12.019 2.727 4.382 1.00 0.00 O ATOM 1026 CB LYS A 68 11.676 3.797 7.597 1.00 0.00 C ATOM 1027 CG LYS A 68 12.895 4.572 7.099 1.00 0.00 C ATOM 1028 CD LYS A 68 14.097 3.675 6.853 1.00 0.00 C ATOM 1029 CE LYS A 68 15.226 4.441 6.184 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.309 3.541 5.706 1.00 0.00 N ATOM 0 H LYS A 68 12.808 1.562 7.081 1.00 0.00 H new ATOM 0 HA LYS A 68 10.079 2.569 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.880 4.507 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.936 3.304 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.639 5.091 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.160 5.335 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.445 3.261 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.804 2.833 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.829 5.008 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.640 5.163 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.057 4.106 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.707 3.018 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.921 2.868 5.014 1.00 0.00 H new ATOM 1044 N VAL A 69 10.417 4.238 4.840 1.00 0.00 N ATOM 1045 CA VAL A 69 10.392 4.793 3.491 1.00 0.00 C ATOM 1046 C VAL A 69 10.471 6.317 3.548 1.00 0.00 C ATOM 1047 O VAL A 69 10.338 6.909 4.620 1.00 0.00 O ATOM 1048 CB VAL A 69 9.112 4.381 2.725 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.928 2.872 2.723 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.887 5.062 3.304 1.00 0.00 C ATOM 0 H VAL A 69 9.768 4.683 5.488 1.00 0.00 H new ATOM 0 HA VAL A 69 11.255 4.393 2.959 1.00 0.00 H new ATOM 0 HB VAL A 69 9.232 4.708 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.020 2.617 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.785 2.402 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.847 2.514 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.002 4.754 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.774 4.778 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.004 6.143 3.232 1.00 0.00 H new ATOM 1060 N ARG A 70 10.690 6.952 2.400 1.00 0.00 N ATOM 1061 CA ARG A 70 10.767 8.411 2.339 1.00 0.00 C ATOM 1062 C ARG A 70 9.411 9.027 2.015 1.00 0.00 C ATOM 1063 O ARG A 70 8.971 9.962 2.677 1.00 0.00 O ATOM 1064 CB ARG A 70 11.794 8.853 1.293 1.00 0.00 C ATOM 1065 CG ARG A 70 11.753 10.349 1.005 1.00 0.00 C ATOM 1066 CD ARG A 70 12.808 10.757 -0.005 1.00 0.00 C ATOM 1067 NE ARG A 70 14.159 10.594 0.525 1.00 0.00 N ATOM 1068 CZ ARG A 70 15.266 10.755 -0.199 1.00 0.00 C ATOM 1069 NH1 ARG A 70 15.185 11.043 -1.495 1.00 0.00 N ATOM 1070 NH2 ARG A 70 16.454 10.616 0.375 1.00 0.00 N ATOM 0 H ARG A 70 10.817 6.483 1.503 1.00 0.00 H new ATOM 0 HA ARG A 70 11.080 8.762 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.792 8.583 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.618 8.306 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.766 10.620 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.904 10.902 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.697 10.157 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.653 11.797 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 70 14.261 10.342 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.272 11.142 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.036 11.165 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.517 10.387 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.304 10.738 -0.176 1.00 0.00 H new ATOM 1084 N ASN A 71 8.745 8.465 1.014 1.00 0.00 N ATOM 1085 CA ASN A 71 7.513 9.033 0.462 1.00 0.00 C ATOM 1086 C ASN A 71 6.368 9.003 1.473 1.00 0.00 C ATOM 1087 O ASN A 71 5.286 9.534 1.220 1.00 0.00 O ATOM 1088 CB ASN A 71 7.143 8.314 -0.835 1.00 0.00 C ATOM 1089 CG ASN A 71 8.293 8.359 -1.826 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.106 9.283 -1.811 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.387 7.368 -2.681 1.00 0.00 N ATOM 0 H ASN A 71 9.041 7.602 0.559 1.00 0.00 H new ATOM 0 HA ASN A 71 7.693 10.084 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.883 7.277 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.260 8.779 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.150 7.349 -3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.697 6.617 -2.669 1.00 0.00 H new ATOM 1098 N LYS A 72 6.636 8.372 2.616 1.00 0.00 N ATOM 1099 CA LYS A 72 5.735 8.363 3.773 1.00 0.00 C ATOM 1100 C LYS A 72 5.216 9.773 4.091 1.00 0.00 C ATOM 1101 O LYS A 72 4.122 9.928 4.635 1.00 0.00 O ATOM 1102 CB LYS A 72 6.500 7.808 4.982 1.00 0.00 C ATOM 1103 CG LYS A 72 5.670 7.574 6.237 1.00 0.00 C ATOM 1104 CD LYS A 72 6.566 7.148 7.392 1.00 0.00 C ATOM 1105 CE LYS A 72 5.779 6.828 8.651 1.00 0.00 C ATOM 1106 NZ LYS A 72 4.989 5.579 8.517 1.00 0.00 N ATOM 0 H LYS A 72 7.496 7.845 2.768 1.00 0.00 H new ATOM 0 HA LYS A 72 4.873 7.737 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.963 6.864 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.308 8.498 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.133 8.485 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.920 6.806 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.143 6.272 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.280 7.943 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.466 6.733 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.109 7.657 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.550 5.346 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.247 5.713 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.615 4.802 8.226 1.00 0.00 H new ATOM 1120 N GLU A 73 6.018 10.784 3.740 1.00 0.00 N ATOM 1121 CA GLU A 73 5.661 12.198 3.923 1.00 0.00 C ATOM 1122 C GLU A 73 4.241 12.470 3.432 1.00 0.00 C ATOM 1123 O GLU A 73 3.402 13.010 4.151 1.00 0.00 O ATOM 1124 CB GLU A 73 6.607 13.089 3.110 1.00 0.00 C ATOM 1125 CG GLU A 73 8.089 12.810 3.306 1.00 0.00 C ATOM 1126 CD GLU A 73 8.917 13.336 2.150 1.00 0.00 C ATOM 1127 OE1 GLU A 73 8.517 13.122 0.984 1.00 0.00 O ATOM 1128 OE2 GLU A 73 9.960 13.976 2.397 1.00 0.00 O ATOM 0 H GLU A 73 6.937 10.646 3.319 1.00 0.00 H new ATOM 0 HA GLU A 73 5.737 12.419 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.369 12.974 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.412 14.130 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.426 13.271 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.247 11.736 3.408 1.00 0.00 H new ATOM 1135 N ARG A 74 3.998 12.065 2.193 1.00 0.00 N ATOM 1136 CA ARG A 74 2.744 12.311 1.502 1.00 0.00 C ATOM 1137 C ARG A 74 1.541 11.713 2.224 1.00 0.00 C ATOM 1138 O ARG A 74 0.447 12.273 2.194 1.00 0.00 O ATOM 1139 CB ARG A 74 2.841 11.707 0.110 1.00 0.00 C ATOM 1140 CG ARG A 74 3.650 12.541 -0.853 1.00 0.00 C ATOM 1141 CD ARG A 74 4.653 11.705 -1.633 1.00 0.00 C ATOM 1142 NE ARG A 74 6.024 11.914 -1.164 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.105 11.699 -1.914 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.986 11.132 -3.110 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.309 12.015 -1.450 1.00 0.00 N ATOM 0 H ARG A 74 4.677 11.549 1.634 1.00 0.00 H new ATOM 0 HA ARG A 74 2.589 13.389 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.287 10.715 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.836 11.575 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.978 13.043 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.178 13.319 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.395 10.650 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.590 11.957 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 74 6.160 12.243 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.066 10.860 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.815 10.969 -3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.406 12.422 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.136 11.850 -2.024 1.00 0.00 H new ATOM 1159 N PHE A 75 1.743 10.579 2.866 1.00 0.00 N ATOM 1160 CA PHE A 75 0.643 9.818 3.426 1.00 0.00 C ATOM 1161 C PHE A 75 0.244 10.332 4.805 1.00 0.00 C ATOM 1162 O PHE A 75 -0.790 9.935 5.344 1.00 0.00 O ATOM 1163 CB PHE A 75 1.034 8.352 3.497 1.00 0.00 C ATOM 1164 CG PHE A 75 1.600 7.835 2.200 1.00 0.00 C ATOM 1165 CD1 PHE A 75 0.887 7.952 1.016 1.00 0.00 C ATOM 1166 CD2 PHE A 75 2.853 7.257 2.164 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.417 7.489 -0.173 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.388 6.794 0.978 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.669 6.911 -0.193 1.00 0.00 C ATOM 0 H PHE A 75 2.663 10.163 3.013 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.224 9.937 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.770 8.215 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.160 7.760 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.091 8.409 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.423 7.166 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.850 7.580 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.368 6.341 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.085 6.551 -1.122 1.00 0.00 H new ATOM 1179 N ASP A 76 1.051 11.229 5.358 1.00 0.00 N ATOM 1180 CA ASP A 76 0.782 11.794 6.678 1.00 0.00 C ATOM 1181 C ASP A 76 -0.521 12.585 6.668 1.00 0.00 C ATOM 1182 O ASP A 76 -1.231 12.657 7.673 1.00 0.00 O ATOM 1183 CB ASP A 76 1.937 12.697 7.122 1.00 0.00 C ATOM 1184 CG ASP A 76 1.746 13.242 8.524 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.105 12.538 9.495 1.00 0.00 O ATOM 1186 OD2 ASP A 76 1.245 14.375 8.663 1.00 0.00 O ATOM 0 H ASP A 76 1.898 11.582 4.914 1.00 0.00 H new ATOM 0 HA ASP A 76 0.687 10.971 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.870 12.135 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.033 13.528 6.423 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.841 13.156 5.513 1.00 0.00 N ATOM 1192 CA GLY A 77 -2.054 13.939 5.377 1.00 0.00 C ATOM 1193 C GLY A 77 -3.293 13.087 5.169 1.00 0.00 C ATOM 1194 O GLY A 77 -4.413 13.598 5.193 1.00 0.00 O ATOM 0 H GLY A 77 -0.279 13.090 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.187 14.550 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.945 14.623 4.535 1.00 0.00 H new ATOM 1198 N LYS A 78 -3.099 11.789 4.974 1.00 0.00 N ATOM 1199 CA LYS A 78 -4.210 10.879 4.725 1.00 0.00 C ATOM 1200 C LYS A 78 -4.257 9.776 5.780 1.00 0.00 C ATOM 1201 O LYS A 78 -3.788 9.966 6.904 1.00 0.00 O ATOM 1202 CB LYS A 78 -4.118 10.285 3.312 1.00 0.00 C ATOM 1203 CG LYS A 78 -4.483 11.281 2.225 1.00 0.00 C ATOM 1204 CD LYS A 78 -3.275 12.033 1.691 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.586 11.256 0.580 1.00 0.00 C ATOM 1206 NZ LYS A 78 -3.578 10.729 -0.399 1.00 0.00 N ATOM 0 H LYS A 78 -2.182 11.342 4.983 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.138 11.447 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.104 9.924 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.780 9.421 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.971 10.755 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.206 11.995 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.587 13.008 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.570 12.215 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.873 11.902 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.018 10.430 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.134 10.653 -1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.903 9.790 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.390 11.376 -0.452 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.835 8.636 5.428 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.031 7.551 6.378 1.00 0.00 C ATOM 1222 C VAL A 79 -4.131 6.375 6.029 1.00 0.00 C ATOM 1223 O VAL A 79 -4.147 5.886 4.900 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.496 7.073 6.403 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.693 6.004 7.463 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.442 8.240 6.638 1.00 0.00 C ATOM 0 H VAL A 79 -5.177 8.439 4.488 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.775 7.936 7.365 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.727 6.639 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.734 5.680 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.048 5.152 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.438 6.411 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.470 7.878 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.210 8.710 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.325 8.970 5.837 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.358 5.922 7.000 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.379 4.878 6.764 1.00 0.00 C ATOM 1238 C VAL A 80 -2.666 3.645 7.618 1.00 0.00 C ATOM 1239 O VAL A 80 -3.027 3.760 8.790 1.00 0.00 O ATOM 1240 CB VAL A 80 -0.954 5.384 7.074 1.00 0.00 C ATOM 1241 CG1 VAL A 80 0.075 4.306 6.793 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.641 6.640 6.277 1.00 0.00 C ATOM 0 H VAL A 80 -3.390 6.262 7.961 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.448 4.604 5.711 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.909 5.631 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.071 4.686 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.131 3.435 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.025 4.021 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.368 6.978 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.712 6.422 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.355 7.422 6.535 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.519 2.474 7.013 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.639 1.212 7.724 1.00 0.00 C ATOM 1254 C LEU A 81 -1.406 0.357 7.421 1.00 0.00 C ATOM 1255 O LEU A 81 -1.287 -0.226 6.341 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.940 0.494 7.314 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.481 -0.551 8.304 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.583 -1.776 8.374 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.648 0.062 9.688 1.00 0.00 C ATOM 0 H LEU A 81 -2.314 2.374 6.019 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.689 1.388 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.712 1.247 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.773 0.003 6.355 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.456 -0.875 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.998 -2.491 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.520 -2.238 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.586 -1.478 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.032 -0.692 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.683 0.422 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.349 0.895 9.635 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.472 0.326 8.364 1.00 0.00 N ATOM 1272 CA GLU A 82 0.777 -0.400 8.189 1.00 0.00 C ATOM 1273 C GLU A 82 0.662 -1.821 8.720 1.00 0.00 C ATOM 1274 O GLU A 82 0.032 -2.059 9.753 1.00 0.00 O ATOM 1275 CB GLU A 82 1.905 0.328 8.913 1.00 0.00 C ATOM 1276 CG GLU A 82 2.125 1.746 8.422 1.00 0.00 C ATOM 1277 CD GLU A 82 3.236 2.453 9.167 1.00 0.00 C ATOM 1278 OE1 GLU A 82 2.956 3.060 10.221 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.394 2.411 8.702 1.00 0.00 O ATOM 0 H GLU A 82 -0.559 0.799 9.263 1.00 0.00 H new ATOM 0 HA GLU A 82 0.997 -0.448 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.685 0.352 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.829 -0.238 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.361 1.726 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.200 2.313 8.532 1.00 0.00 H new ATOM 1286 N VAL A 83 1.277 -2.757 8.012 1.00 0.00 N ATOM 1287 CA VAL A 83 1.256 -4.163 8.395 1.00 0.00 C ATOM 1288 C VAL A 83 2.622 -4.804 8.162 1.00 0.00 C ATOM 1289 O VAL A 83 3.461 -4.245 7.448 1.00 0.00 O ATOM 1290 CB VAL A 83 0.192 -4.960 7.598 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.214 -4.547 8.000 1.00 0.00 C ATOM 1292 CG2 VAL A 83 0.393 -4.781 6.100 1.00 0.00 C ATOM 0 H VAL A 83 1.803 -2.566 7.159 1.00 0.00 H new ATOM 0 HA VAL A 83 1.002 -4.198 9.454 1.00 0.00 H new ATOM 0 HB VAL A 83 0.317 -6.016 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.940 -5.122 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.359 -4.738 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.352 -3.484 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.365 -5.349 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.305 -3.725 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.383 -5.140 5.820 1.00 0.00 H new ATOM 1302 N PRO A 84 2.881 -5.969 8.783 1.00 0.00 N ATOM 1303 CA PRO A 84 4.066 -6.772 8.475 1.00 0.00 C ATOM 1304 C PRO A 84 4.075 -7.166 7.003 1.00 0.00 C ATOM 1305 O PRO A 84 3.018 -7.380 6.416 1.00 0.00 O ATOM 1306 CB PRO A 84 3.912 -8.011 9.363 1.00 0.00 C ATOM 1307 CG PRO A 84 2.987 -7.591 10.452 1.00 0.00 C ATOM 1308 CD PRO A 84 2.057 -6.584 9.838 1.00 0.00 C ATOM 0 HA PRO A 84 4.998 -6.237 8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.504 -8.851 8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.874 -8.332 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.434 -8.444 10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.538 -7.156 11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.164 -7.057 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.721 -5.848 10.568 1.00 0.00 H new ATOM 1316 N VAL A 85 5.257 -7.275 6.410 1.00 0.00 N ATOM 1317 CA VAL A 85 5.370 -7.491 4.968 1.00 0.00 C ATOM 1318 C VAL A 85 4.765 -8.839 4.538 1.00 0.00 C ATOM 1319 O VAL A 85 4.293 -8.986 3.412 1.00 0.00 O ATOM 1320 CB VAL A 85 6.846 -7.392 4.500 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.678 -8.541 5.053 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.934 -7.331 2.978 1.00 0.00 C ATOM 0 H VAL A 85 6.150 -7.218 6.901 1.00 0.00 H new ATOM 0 HA VAL A 85 4.797 -6.699 4.485 1.00 0.00 H new ATOM 0 HB VAL A 85 7.260 -6.465 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.707 -8.444 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.657 -8.514 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.266 -9.489 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.979 -7.262 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.492 -8.232 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.394 -6.456 2.617 1.00 0.00 H new ATOM 1332 N SER A 86 4.773 -9.816 5.437 1.00 0.00 N ATOM 1333 CA SER A 86 4.223 -11.138 5.142 1.00 0.00 C ATOM 1334 C SER A 86 2.689 -11.139 5.150 1.00 0.00 C ATOM 1335 O SER A 86 2.056 -11.978 4.502 1.00 0.00 O ATOM 1336 CB SER A 86 4.762 -12.157 6.147 1.00 0.00 C ATOM 1337 OG SER A 86 4.618 -11.690 7.479 1.00 0.00 O ATOM 0 H SER A 86 5.154 -9.720 6.378 1.00 0.00 H new ATOM 0 HA SER A 86 4.539 -11.414 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.231 -13.102 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.814 -12.355 5.940 1.00 0.00 H new ATOM 0 HG SER A 86 4.969 -12.361 8.101 1.00 0.00 H new ATOM 1343 N ALA A 87 2.103 -10.186 5.869 1.00 0.00 N ATOM 1344 CA ALA A 87 0.657 -10.147 6.081 1.00 0.00 C ATOM 1345 C ALA A 87 -0.140 -10.002 4.774 1.00 0.00 C ATOM 1346 O ALA A 87 -1.024 -10.814 4.508 1.00 0.00 O ATOM 1347 CB ALA A 87 0.288 -9.041 7.062 1.00 0.00 C ATOM 0 H ALA A 87 2.611 -9.424 6.318 1.00 0.00 H new ATOM 0 HA ALA A 87 0.379 -11.111 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.792 -9.028 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.780 -9.223 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.612 -8.079 6.665 1.00 0.00 H new ATOM 1353 N PRO A 88 0.153 -8.985 3.924 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.620 -8.741 2.694 1.00 0.00 C ATOM 1355 C PRO A 88 -0.487 -9.862 1.667 1.00 0.00 C ATOM 1356 O PRO A 88 -1.154 -9.854 0.639 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.020 -7.448 2.140 1.00 0.00 C ATOM 1358 CG PRO A 88 1.347 -7.392 2.710 1.00 0.00 C ATOM 1359 CD PRO A 88 1.242 -8.001 4.075 1.00 0.00 C ATOM 0 HA PRO A 88 -1.687 -8.683 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.006 -7.459 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.608 -6.580 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.053 -7.943 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.706 -6.364 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.175 -8.477 4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.007 -7.253 4.832 1.00 0.00 H new ATOM 1367 N ILE A 89 0.380 -10.819 1.943 1.00 0.00 N ATOM 1368 CA ILE A 89 0.550 -11.959 1.063 1.00 0.00 C ATOM 1369 C ILE A 89 -0.548 -12.991 1.318 1.00 0.00 C ATOM 1370 O ILE A 89 -1.125 -13.551 0.385 1.00 0.00 O ATOM 1371 CB ILE A 89 1.941 -12.606 1.251 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.038 -11.600 0.878 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.067 -13.876 0.420 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.445 -12.138 1.034 1.00 0.00 C ATOM 0 H ILE A 89 0.977 -10.829 2.770 1.00 0.00 H new ATOM 0 HA ILE A 89 0.476 -11.606 0.035 1.00 0.00 H new ATOM 0 HB ILE A 89 2.059 -12.883 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.893 -11.286 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.929 -10.711 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.055 -14.312 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.304 -14.590 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.933 -13.636 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.163 -11.368 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.612 -12.425 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.575 -13.009 0.391 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.848 -13.217 2.590 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.848 -14.207 2.979 1.00 0.00 C ATOM 1388 C LYS A 90 -3.209 -13.565 3.221 1.00 0.00 C ATOM 1389 O LYS A 90 -4.245 -14.223 3.119 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.411 -14.921 4.258 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.137 -15.729 4.116 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.324 -16.910 3.181 1.00 0.00 C ATOM 1393 CE LYS A 90 0.812 -17.905 3.326 1.00 0.00 C ATOM 1394 NZ LYS A 90 0.891 -18.452 4.708 1.00 0.00 N ATOM 0 H LYS A 90 -0.413 -12.728 3.373 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.936 -14.919 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.272 -14.180 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.213 -15.583 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.660 -15.089 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.178 -16.087 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.272 -17.402 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.374 -16.558 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.673 -18.722 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.755 -17.421 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.351 -19.385 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.445 -17.806 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.068 -18.548 5.099 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.201 -12.284 3.551 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.403 -11.618 4.039 1.00 0.00 C ATOM 1410 C ASP A 91 -4.729 -10.383 3.203 1.00 0.00 C ATOM 1411 O ASP A 91 -5.387 -9.463 3.679 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.172 -11.226 5.502 1.00 0.00 C ATOM 1413 CG ASP A 91 -5.450 -10.980 6.272 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -6.251 -11.927 6.409 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -5.639 -9.854 6.777 1.00 0.00 O ATOM 0 H ASP A 91 -2.379 -11.683 3.491 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.252 -12.296 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.606 -12.016 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.558 -10.326 5.536 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.315 -10.395 1.937 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.416 -9.216 1.069 1.00 0.00 C ATOM 1422 C ALA A 92 -5.825 -8.638 1.037 1.00 0.00 C ATOM 1423 O ALA A 92 -6.021 -7.449 1.293 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.981 -9.567 -0.347 1.00 0.00 C ATOM 0 H ALA A 92 -3.904 -11.212 1.485 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.754 -8.457 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.060 -8.684 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.948 -9.913 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.623 -10.355 -0.740 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.804 -9.480 0.743 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.185 -9.030 0.636 1.00 0.00 C ATOM 1432 C GLU A 93 -8.700 -8.498 1.969 1.00 0.00 C ATOM 1433 O GLU A 93 -9.435 -7.509 2.012 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.088 -10.164 0.151 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.897 -10.539 -1.314 1.00 0.00 C ATOM 1436 CD GLU A 93 -7.555 -11.186 -1.606 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -7.236 -12.217 -0.982 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -6.814 -10.670 -2.465 1.00 0.00 O ATOM 0 H GLU A 93 -6.669 -10.477 0.574 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.208 -8.219 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.906 -11.045 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.128 -9.876 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.693 -11.222 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.000 -9.643 -1.926 1.00 0.00 H new ATOM 1445 N LYS A 94 -8.295 -9.139 3.055 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.785 -8.777 4.375 1.00 0.00 C ATOM 1447 C LYS A 94 -8.159 -7.461 4.827 1.00 0.00 C ATOM 1448 O LYS A 94 -8.833 -6.610 5.407 1.00 0.00 O ATOM 1449 CB LYS A 94 -8.489 -9.909 5.363 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.932 -9.642 6.792 1.00 0.00 C ATOM 1451 CD LYS A 94 -10.428 -9.410 6.895 1.00 0.00 C ATOM 1452 CE LYS A 94 -10.866 -9.276 8.345 1.00 0.00 C ATOM 1453 NZ LYS A 94 -10.176 -8.155 9.042 1.00 0.00 N ATOM 0 H LYS A 94 -7.629 -9.912 3.048 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.865 -8.633 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.978 -10.817 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.416 -10.103 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.653 -10.487 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.404 -8.770 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.697 -8.507 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.960 -10.238 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.944 -9.117 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.663 -10.209 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.612 -8.005 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.170 -8.389 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.263 -7.288 8.475 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.876 -7.294 4.527 1.00 0.00 N ATOM 1468 CA VAL A 95 -6.163 -6.059 4.836 1.00 0.00 C ATOM 1469 C VAL A 95 -6.783 -4.877 4.094 1.00 0.00 C ATOM 1470 O VAL A 95 -6.974 -3.803 4.665 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.664 -6.166 4.466 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.937 -4.856 4.730 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -4.008 -7.297 5.238 1.00 0.00 C ATOM 0 H VAL A 95 -6.305 -8.003 4.067 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.248 -5.897 5.911 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.596 -6.381 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.886 -4.962 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.387 -4.063 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.017 -4.602 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.954 -7.359 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.097 -7.107 6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.502 -8.238 4.995 1.00 0.00 H new ATOM 1483 N ILE A 96 -7.114 -5.092 2.827 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.716 -4.051 2.004 1.00 0.00 C ATOM 1485 C ILE A 96 -9.089 -3.653 2.543 1.00 0.00 C ATOM 1486 O ILE A 96 -9.405 -2.466 2.636 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.821 -4.502 0.531 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.413 -4.657 -0.052 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.636 -3.509 -0.290 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.388 -5.168 -1.473 1.00 0.00 C ATOM 0 H ILE A 96 -6.975 -5.981 2.346 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.067 -3.176 2.047 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.337 -5.462 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.908 -3.692 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.843 -5.340 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.694 -3.852 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.642 -3.434 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.156 -2.531 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.355 -5.250 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.863 -6.148 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.928 -4.475 -2.118 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.892 -4.642 2.922 1.00 0.00 N ATOM 1503 CA ASN A 97 -11.206 -4.371 3.504 1.00 0.00 C ATOM 1504 C ASN A 97 -11.069 -3.714 4.873 1.00 0.00 C ATOM 1505 O ASN A 97 -11.934 -2.940 5.293 1.00 0.00 O ATOM 1506 CB ASN A 97 -12.035 -5.654 3.619 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.693 -6.047 2.309 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.789 -5.588 1.989 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.040 -6.908 1.547 1.00 0.00 N ATOM 0 H ASN A 97 -9.660 -5.632 2.838 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.725 -3.684 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.393 -6.467 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.803 -5.518 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.443 -7.213 0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.133 -7.267 1.845 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.975 -4.023 5.562 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.679 -3.411 6.849 1.00 0.00 C ATOM 1518 C ALA A 98 -9.306 -1.945 6.667 1.00 0.00 C ATOM 1519 O ALA A 98 -9.764 -1.085 7.413 1.00 0.00 O ATOM 1520 CB ALA A 98 -8.559 -4.163 7.553 1.00 0.00 C ATOM 0 H ALA A 98 -9.277 -4.697 5.247 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.573 -3.466 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.351 -3.691 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.861 -5.198 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.661 -4.140 6.936 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.482 -1.669 5.657 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.096 -0.300 5.328 1.00 0.00 C ATOM 1528 C ALA A 99 -9.329 0.533 4.985 1.00 0.00 C ATOM 1529 O ALA A 99 -9.421 1.706 5.344 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.108 -0.290 4.168 1.00 0.00 C ATOM 0 H ALA A 99 -8.069 -2.378 5.052 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.611 0.142 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.830 0.738 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.216 -0.853 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.569 -0.748 3.293 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.284 -0.094 4.304 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.535 0.564 3.938 1.00 0.00 C ATOM 1538 C LEU A 100 -12.318 0.981 5.181 1.00 0.00 C ATOM 1539 O LEU A 100 -13.046 1.968 5.161 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.394 -0.358 3.066 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.769 -0.763 1.728 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.700 -1.691 0.963 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.438 0.467 0.898 1.00 0.00 C ATOM 0 H LEU A 100 -10.215 -1.063 3.993 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.286 1.459 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.617 -1.262 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.345 0.138 2.869 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.841 -1.299 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.239 -1.968 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.884 -2.589 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.645 -1.182 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.995 0.159 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.350 1.032 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.731 1.094 1.442 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.144 0.242 6.268 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.852 0.525 7.514 1.00 0.00 C ATOM 1557 C ALA A 101 -12.411 1.857 8.117 1.00 0.00 C ATOM 1558 O ALA A 101 -13.077 2.402 8.997 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.648 -0.607 8.511 1.00 0.00 C ATOM 0 H ALA A 101 -11.517 -0.561 6.314 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.915 0.601 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.182 -0.380 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.031 -1.536 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.585 -0.716 8.725 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.282 2.373 7.652 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.767 3.643 8.146 1.00 0.00 C ATOM 1567 C LEU A 102 -11.420 4.832 7.440 1.00 0.00 C ATOM 1568 O LEU A 102 -11.565 5.902 8.029 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.245 3.713 7.988 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.425 2.956 9.043 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -8.773 3.440 10.441 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.634 1.455 8.932 1.00 0.00 C ATOM 0 H LEU A 102 -10.706 1.933 6.935 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.017 3.700 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.983 3.323 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.945 4.761 8.006 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.371 3.162 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.181 2.891 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.555 4.505 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.833 3.272 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.040 0.948 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.689 1.223 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.324 1.117 7.943 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.815 4.648 6.182 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.423 5.734 5.410 1.00 0.00 C ATOM 1586 C ILE A 103 -13.922 5.523 5.220 1.00 0.00 C ATOM 1587 O ILE A 103 -14.705 6.471 5.288 1.00 0.00 O ATOM 1588 CB ILE A 103 -11.755 5.912 4.031 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -11.703 4.576 3.278 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.362 6.502 4.195 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.244 4.702 1.842 1.00 0.00 C ATOM 0 H ILE A 103 -11.727 3.766 5.677 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.264 6.641 5.993 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.353 6.605 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.032 3.898 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.694 4.121 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.900 6.623 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.434 7.473 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.753 5.833 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.233 3.717 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -11.927 5.354 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.240 5.127 1.817 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.314 4.285 4.967 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.719 3.941 4.809 1.00 0.00 C ATOM 1605 C ASP A 104 -16.356 3.709 6.165 1.00 0.00 C ATOM 1606 O ASP A 104 -17.543 3.975 6.359 1.00 0.00 O ATOM 1607 CB ASP A 104 -15.877 2.682 3.951 1.00 0.00 C ATOM 1608 CG ASP A 104 -15.760 2.954 2.464 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -14.644 3.251 1.990 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -16.790 2.867 1.761 1.00 0.00 O ATOM 0 H ASP A 104 -13.675 3.496 4.866 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.217 4.773 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.119 1.955 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -16.847 2.230 4.156 1.00 0.00 H new ATOM 1615 N GLU A 105 -15.548 3.196 7.095 1.00 0.00 N ATOM 1616 CA GLU A 105 -15.991 2.892 8.458 1.00 0.00 C ATOM 1617 C GLU A 105 -17.042 1.784 8.462 1.00 0.00 C ATOM 1618 O GLU A 105 -17.706 1.544 9.471 1.00 0.00 O ATOM 1619 CB GLU A 105 -16.528 4.151 9.150 1.00 0.00 C ATOM 1620 CG GLU A 105 -15.473 5.228 9.352 1.00 0.00 C ATOM 1621 CD GLU A 105 -16.026 6.475 10.007 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -16.271 6.455 11.231 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -16.213 7.487 9.299 1.00 0.00 O ATOM 0 H GLU A 105 -14.566 2.979 6.924 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.126 2.536 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -17.346 4.561 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.944 3.874 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.665 4.829 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.040 5.492 8.387 1.00 0.00 H new ATOM 1630 N LYS A 106 -17.160 1.090 7.341 1.00 0.00 N ATOM 1631 CA LYS A 106 -18.137 0.026 7.193 1.00 0.00 C ATOM 1632 C LYS A 106 -17.447 -1.330 7.186 1.00 0.00 C ATOM 1633 O LYS A 106 -17.428 -1.995 8.240 1.00 0.00 O ATOM 1634 CB LYS A 106 -18.936 0.218 5.903 1.00 0.00 C ATOM 1635 CG LYS A 106 -19.755 1.498 5.884 1.00 0.00 C ATOM 1636 CD LYS A 106 -20.299 1.796 4.496 1.00 0.00 C ATOM 1637 CE LYS A 106 -19.174 1.958 3.487 1.00 0.00 C ATOM 1638 NZ LYS A 106 -19.659 2.454 2.175 1.00 0.00 N ATOM 1639 OXT LYS A 106 -16.912 -1.722 6.129 1.00 0.00 O ATOM 0 H LYS A 106 -16.585 1.248 6.514 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.822 0.063 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.249 0.222 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.603 -0.633 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.582 1.411 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.137 2.331 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.960 0.989 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.898 2.706 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.432 2.651 3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.673 1.000 3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.850 2.772 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -20.155 1.688 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -20.312 3.250 2.324 1.00 0.00 H new TER 1653 LYS A 106