USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 514 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 NoAdj-H: A 4 LYS H : A 4 LYS N : A 2 ASP O :(H bumps) USER MOD NoAdj-H: A 18 GLY H : A 18 GLY N : A 14 SER C :(H bumps) USER MOD NoAdj-H: A 33 GLY H : A 33 GLY N : A 76 LYS O :(H bumps) USER MOD NoAdj-H: A 40 SER H : A 40 SER N : A 70 TYR O :(H bumps) USER MOD NoAdj-H: A 45 THR H : A 45 THR N : A 17 PRO CD :(H bumps) USER MOD Set 1.1: A 58 GLN :FLIP amide:sc= -59.3! C(o=-1.2e+02!,f=-1.2e+02!) USER MOD Set 1.2: A 74 MET CE :methyl -177:sc= -45! (180deg=-31.6!) USER MOD Set 1.3: A 76 LYS NZ :NH3+ -120:sc= -12.6! (180deg=-20.6!) USER MOD Set 2.1: A 15 TYR OH : rot 109:sc= -1.05 USER MOD Set 2.2: A 16 CYS SG : rot -46:sc= -26.7! USER MOD Single : A 1 MET CE :methyl -178:sc= -41.2! (180deg=-41.3!) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.338! (180deg=-3.48!) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc=-0.000459 (180deg=-0.109) USER MOD Single : A 14 SER OG : rot 160:sc= -2.7! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= -0.268 (180deg=-1.21) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -7.23! C(o=-7.9!,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 80:sc= 0.921 USER MOD Single : A 39 TYR OH : rot -140:sc= -0.698 USER MOD Single : A 40 SER OG : rot -165:sc= -17.2! USER MOD Single : A 41 THR OG1 : rot -81:sc= -7.28! USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= -1.76! (180deg=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.159 F(o=-1.4,f=-0.16) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -7.99! (180deg=-8.87!) USER MOD Single : A 56 SER OG : rot -176:sc= -8.36! USER MOD Single : A 67 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 69 TYR OH : rot 106:sc= 1.13 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.725 (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.138 -4.805 9.233 1.00 0.00 N ATOM 2 CA MET A 1 -3.016 -5.176 8.388 1.00 0.00 C ATOM 3 C MET A 1 -1.990 -6.002 9.169 1.00 0.00 C ATOM 4 O MET A 1 -2.277 -6.477 10.267 1.00 0.00 O ATOM 5 CB MET A 1 -2.346 -3.912 7.845 1.00 0.00 C ATOM 6 CG MET A 1 -1.792 -4.146 6.438 1.00 0.00 C ATOM 7 SD MET A 1 -3.134 -4.276 5.268 1.00 0.00 S ATOM 8 CE MET A 1 -2.731 -2.916 4.183 1.00 0.00 C ATOM 0 H1 MET A 1 -5.024 -5.136 8.799 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.027 -5.243 10.170 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.168 -3.771 9.336 1.00 0.00 H new ATOM 0 HA MET A 1 -3.391 -5.782 7.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.067 -3.094 7.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.539 -3.609 8.512 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.132 -3.326 6.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.194 -5.057 6.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.493 -2.830 3.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.692 -1.991 4.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.761 -3.096 3.719 1.00 0.00 H new ATOM 16 N ASP A 2 -0.817 -6.147 8.571 1.00 0.00 N ATOM 17 CA ASP A 2 0.252 -6.907 9.197 1.00 0.00 C ATOM 18 C ASP A 2 1.412 -5.968 9.531 1.00 0.00 C ATOM 19 O ASP A 2 2.357 -6.361 10.213 1.00 0.00 O ATOM 20 CB ASP A 2 0.778 -7.994 8.257 1.00 0.00 C ATOM 21 CG ASP A 2 1.053 -9.345 8.918 1.00 0.00 C ATOM 22 OD1 ASP A 2 0.471 -9.674 9.963 1.00 0.00 O ATOM 23 OD2 ASP A 2 1.916 -10.085 8.310 1.00 0.00 O ATOM 0 H ASP A 2 -0.583 -5.752 7.660 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.148 -7.372 10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.055 -8.140 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.699 -7.639 7.795 1.00 0.00 H new ATOM 28 N VAL A 3 1.302 -4.744 9.034 1.00 0.00 N ATOM 29 CA VAL A 3 2.330 -3.745 9.271 1.00 0.00 C ATOM 30 C VAL A 3 3.683 -4.440 9.430 1.00 0.00 C ATOM 31 O VAL A 3 4.727 -3.790 9.396 1.00 0.00 O ATOM 32 CB VAL A 3 1.955 -2.885 10.481 1.00 0.00 C ATOM 33 CG1 VAL A 3 3.100 -2.837 11.495 1.00 0.00 C ATOM 34 CG2 VAL A 3 1.548 -1.477 10.046 1.00 0.00 C ATOM 0 H VAL A 3 0.517 -4.422 8.468 1.00 0.00 H new ATOM 0 HA VAL A 3 2.409 -3.069 8.420 1.00 0.00 H new ATOM 0 HB VAL A 3 1.096 -3.347 10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.808 -2.220 12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.323 -3.847 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.985 -2.410 11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.286 -0.886 10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.379 -1.003 9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.688 -1.537 9.379 1.00 0.00 H new ATOM 44 N LYS A 4 3.623 -5.753 9.599 1.00 0.00 N ATOM 45 CA LYS A 4 4.831 -6.544 9.762 1.00 0.00 C ATOM 46 C LYS A 4 5.179 -7.215 8.431 1.00 0.00 C ATOM 47 O LYS A 4 5.962 -8.164 8.397 1.00 0.00 O ATOM 48 CB LYS A 4 4.676 -7.526 10.923 1.00 0.00 C ATOM 49 CG LYS A 4 5.969 -8.309 11.157 1.00 0.00 C ATOM 50 CD LYS A 4 7.124 -7.367 11.506 1.00 0.00 C ATOM 51 CE LYS A 4 6.893 -6.694 12.860 1.00 0.00 C ATOM 52 NZ LYS A 4 7.063 -7.670 13.960 1.00 0.00 N ATOM 0 HA LYS A 4 5.673 -5.904 10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.407 -6.983 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.861 -8.218 10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.823 -9.026 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.219 -8.881 10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.060 -7.926 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.225 -6.607 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.594 -5.869 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.890 -6.269 12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.105 -7.165 14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.258 -8.329 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.945 -8.202 13.818 1.00 0.00 H new ATOM 61 N PRO A 5 4.566 -6.682 7.341 1.00 0.00 N ATOM 62 CA PRO A 5 4.804 -7.219 6.012 1.00 0.00 C ATOM 63 C PRO A 5 6.177 -6.797 5.488 1.00 0.00 C ATOM 64 O PRO A 5 6.622 -5.676 5.732 1.00 0.00 O ATOM 65 CB PRO A 5 3.657 -6.692 5.164 1.00 0.00 C ATOM 66 CG PRO A 5 3.082 -5.511 5.928 1.00 0.00 C ATOM 67 CD PRO A 5 3.633 -5.559 7.345 1.00 0.00 C ATOM 0 HA PRO A 5 4.826 -8.309 5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.008 -6.386 4.179 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.901 -7.462 5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.355 -4.574 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.993 -5.558 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.135 -4.628 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.837 -5.708 8.075 1.00 0.00 H new ATOM 72 N ASP A 6 6.812 -7.718 4.777 1.00 0.00 N ATOM 73 CA ASP A 6 8.128 -7.455 4.217 1.00 0.00 C ATOM 74 C ASP A 6 8.036 -7.460 2.689 1.00 0.00 C ATOM 75 O ASP A 6 7.878 -8.514 2.076 1.00 0.00 O ATOM 76 CB ASP A 6 9.129 -8.534 4.633 1.00 0.00 C ATOM 77 CG ASP A 6 10.542 -8.355 4.074 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.743 -7.685 3.050 1.00 0.00 O ATOM 79 OD2 ASP A 6 11.473 -8.946 4.744 1.00 0.00 O ATOM 0 H ASP A 6 6.440 -8.646 4.576 1.00 0.00 H new ATOM 0 HA ASP A 6 8.466 -6.487 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.185 -8.556 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 6 8.748 -9.504 4.314 1.00 0.00 H new ATOM 84 N ARG A 7 8.139 -6.269 2.118 1.00 0.00 N ATOM 85 CA ARG A 7 8.070 -6.122 0.675 1.00 0.00 C ATOM 86 C ARG A 7 8.729 -4.811 0.242 1.00 0.00 C ATOM 87 O ARG A 7 9.190 -4.037 1.080 1.00 0.00 O ATOM 88 CB ARG A 7 6.619 -6.140 0.188 1.00 0.00 C ATOM 89 CG ARG A 7 6.522 -5.669 -1.264 1.00 0.00 C ATOM 90 CD ARG A 7 5.062 -5.495 -1.689 1.00 0.00 C ATOM 91 NE ARG A 7 4.905 -5.851 -3.116 1.00 0.00 N ATOM 92 CZ ARG A 7 5.642 -5.320 -4.114 1.00 0.00 C ATOM 93 NH1 ARG A 7 6.599 -4.406 -3.848 1.00 0.00 N ATOM 94 NH2 ARG A 7 5.416 -5.711 -5.354 1.00 0.00 N ATOM 0 H ARG A 7 8.270 -5.396 2.630 1.00 0.00 H new ATOM 0 HA ARG A 7 8.601 -6.964 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.215 -7.149 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.010 -5.497 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.053 -4.724 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.011 -6.391 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.418 -6.125 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.748 -4.464 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 7 4.195 -6.541 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.770 -4.112 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.151 -4.010 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.693 -6.405 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.964 -5.320 -6.120 1.00 0.00 H new ATOM 104 N VAL A 8 8.754 -4.602 -1.067 1.00 0.00 N ATOM 105 CA VAL A 8 9.350 -3.397 -1.620 1.00 0.00 C ATOM 106 C VAL A 8 8.254 -2.535 -2.249 1.00 0.00 C ATOM 107 O VAL A 8 7.741 -2.859 -3.319 1.00 0.00 O ATOM 108 CB VAL A 8 10.459 -3.769 -2.607 1.00 0.00 C ATOM 109 CG1 VAL A 8 11.751 -3.016 -2.287 1.00 0.00 C ATOM 110 CG2 VAL A 8 10.694 -5.281 -2.624 1.00 0.00 C ATOM 0 H VAL A 8 8.372 -5.246 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 8 9.818 -2.805 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 8 10.135 -3.470 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.523 -3.298 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.572 -1.943 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.080 -3.270 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.487 -5.518 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.986 -5.615 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.777 -5.788 -2.922 1.00 0.00 H new ATOM 120 N ILE A 9 7.928 -1.452 -1.558 1.00 0.00 N ATOM 121 CA ILE A 9 6.903 -0.540 -2.036 1.00 0.00 C ATOM 122 C ILE A 9 7.250 0.885 -1.600 1.00 0.00 C ATOM 123 O ILE A 9 7.183 1.210 -0.416 1.00 0.00 O ATOM 124 CB ILE A 9 5.519 -1.002 -1.576 1.00 0.00 C ATOM 125 CG1 ILE A 9 5.454 -2.528 -1.481 1.00 0.00 C ATOM 126 CG2 ILE A 9 4.424 -0.438 -2.483 1.00 0.00 C ATOM 127 CD1 ILE A 9 4.282 -2.973 -0.604 1.00 0.00 C ATOM 0 H ILE A 9 8.356 -1.186 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 9 6.870 -0.542 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 9 5.343 -0.609 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 9 5.349 -2.954 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.388 -2.910 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.450 -0.781 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.455 0.651 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.585 -0.781 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.258 -4.062 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.403 -2.565 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.348 -2.610 -1.033 1.00 0.00 H new ATOM 138 N ASP A 10 7.617 1.696 -2.581 1.00 0.00 N ATOM 139 CA ASP A 10 7.976 3.078 -2.314 1.00 0.00 C ATOM 140 C ASP A 10 7.674 3.928 -3.551 1.00 0.00 C ATOM 141 O ASP A 10 8.021 3.548 -4.669 1.00 0.00 O ATOM 142 CB ASP A 10 9.468 3.210 -2.003 1.00 0.00 C ATOM 143 CG ASP A 10 10.383 2.298 -2.823 1.00 0.00 C ATOM 144 OD1 ASP A 10 11.616 2.398 -2.749 1.00 0.00 O ATOM 145 OD2 ASP A 10 9.771 1.445 -3.572 1.00 0.00 O ATOM 0 H ASP A 10 7.673 1.422 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 10 7.397 3.416 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.768 4.245 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.623 2.999 -0.945 1.00 0.00 H new ATOM 150 N ALA A 11 7.032 5.061 -3.310 1.00 0.00 N ATOM 151 CA ALA A 11 6.680 5.966 -4.389 1.00 0.00 C ATOM 152 C ALA A 11 7.051 7.397 -3.992 1.00 0.00 C ATOM 153 O ALA A 11 6.543 7.922 -3.004 1.00 0.00 O ATOM 154 CB ALA A 11 5.192 5.820 -4.715 1.00 0.00 C ATOM 0 H ALA A 11 6.746 5.373 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 11 7.238 5.719 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.929 6.500 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.985 4.794 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.601 6.062 -3.832 1.00 0.00 H new ATOM 160 N ARG A 12 7.936 7.986 -4.784 1.00 0.00 N ATOM 161 CA ARG A 12 8.381 9.345 -4.528 1.00 0.00 C ATOM 162 C ARG A 12 7.750 10.309 -5.533 1.00 0.00 C ATOM 163 O ARG A 12 8.211 10.416 -6.669 1.00 0.00 O ATOM 164 CB ARG A 12 9.905 9.451 -4.617 1.00 0.00 C ATOM 165 CG ARG A 12 10.580 8.354 -3.791 1.00 0.00 C ATOM 166 CD ARG A 12 9.780 8.050 -2.523 1.00 0.00 C ATOM 167 NE ARG A 12 9.993 9.119 -1.522 1.00 0.00 N ATOM 168 CZ ARG A 12 11.188 9.403 -0.961 1.00 0.00 C ATOM 169 NH1 ARG A 12 12.288 8.697 -1.298 1.00 0.00 N ATOM 170 NH2 ARG A 12 11.264 10.380 -0.077 1.00 0.00 N ATOM 0 H ARG A 12 8.356 7.547 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 12 8.068 9.612 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.218 9.372 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.227 10.430 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.675 7.449 -4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.589 8.666 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.720 7.971 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.087 7.088 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 12 9.187 9.676 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.220 7.943 -1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.187 8.918 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.428 10.908 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.159 10.607 0.356 1.00 0.00 H new ATOM 180 N GLY A 13 6.706 10.987 -5.080 1.00 0.00 N ATOM 181 CA GLY A 13 6.008 11.939 -5.926 1.00 0.00 C ATOM 182 C GLY A 13 4.930 11.244 -6.761 1.00 0.00 C ATOM 183 O GLY A 13 4.525 11.751 -7.805 1.00 0.00 O ATOM 0 H GLY A 13 6.327 10.896 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.552 12.713 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.720 12.435 -6.585 1.00 0.00 H new ATOM 187 N SER A 14 4.497 10.092 -6.269 1.00 0.00 N ATOM 188 CA SER A 14 3.475 9.322 -6.956 1.00 0.00 C ATOM 189 C SER A 14 2.085 9.777 -6.505 1.00 0.00 C ATOM 190 O SER A 14 1.075 9.241 -6.958 1.00 0.00 O ATOM 191 CB SER A 14 3.651 7.823 -6.702 1.00 0.00 C ATOM 192 OG SER A 14 3.769 7.086 -7.916 1.00 0.00 O ATOM 0 H SER A 14 4.836 9.674 -5.403 1.00 0.00 H new ATOM 0 HA SER A 14 3.578 9.496 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.539 7.661 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.800 7.449 -6.132 1.00 0.00 H new ATOM 0 HG SER A 14 4.189 6.220 -7.733 1.00 0.00 H new ATOM 197 N TYR A 15 2.078 10.762 -5.619 1.00 0.00 N ATOM 198 CA TYR A 15 0.830 11.295 -5.103 1.00 0.00 C ATOM 199 C TYR A 15 -0.003 10.197 -4.439 1.00 0.00 C ATOM 200 O TYR A 15 0.544 9.223 -3.926 1.00 0.00 O ATOM 201 CB TYR A 15 0.068 11.835 -6.315 1.00 0.00 C ATOM 202 CG TYR A 15 -0.963 10.859 -6.887 1.00 0.00 C ATOM 203 CD1 TYR A 15 -0.760 9.498 -6.775 1.00 0.00 C ATOM 204 CD2 TYR A 15 -2.094 11.339 -7.515 1.00 0.00 C ATOM 205 CE1 TYR A 15 -1.730 8.580 -7.313 1.00 0.00 C ATOM 206 CE2 TYR A 15 -3.063 10.421 -8.052 1.00 0.00 C ATOM 207 CZ TYR A 15 -2.834 9.087 -7.926 1.00 0.00 C ATOM 208 OH TYR A 15 -3.749 8.219 -8.434 1.00 0.00 O ATOM 0 H TYR A 15 2.918 11.205 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 15 1.022 12.063 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.438 12.758 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.783 12.091 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.126 9.122 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.252 12.404 -7.603 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.585 7.513 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.953 10.784 -8.545 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.563 8.245 -7.889 1.00 0.00 H new ATOM 217 N CYS A 16 -1.314 10.391 -4.472 1.00 0.00 N ATOM 218 CA CYS A 16 -2.227 9.428 -3.881 1.00 0.00 C ATOM 219 C CYS A 16 -1.557 8.827 -2.644 1.00 0.00 C ATOM 220 O CYS A 16 -2.230 8.281 -1.772 1.00 0.00 O ATOM 221 CB CYS A 16 -2.644 8.352 -4.885 1.00 0.00 C ATOM 222 SG CYS A 16 -4.344 8.675 -5.479 1.00 0.00 S ATOM 0 H CYS A 16 -1.765 11.200 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.148 9.931 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.952 8.341 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.594 7.368 -4.418 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.111 8.957 -4.468 1.00 0.00 H new ATOM 227 N PRO A 17 -0.202 8.950 -2.607 1.00 0.00 N ATOM 228 CA PRO A 17 0.518 9.611 -3.681 1.00 0.00 C ATOM 229 C PRO A 17 0.598 8.715 -4.920 1.00 0.00 C ATOM 230 O PRO A 17 -0.190 7.783 -5.068 1.00 0.00 O ATOM 231 CB PRO A 17 1.881 9.940 -3.097 1.00 0.00 C ATOM 232 CG PRO A 17 2.040 9.044 -1.878 1.00 0.00 C ATOM 233 CD PRO A 17 0.674 8.465 -1.545 1.00 0.00 C ATOM 0 HA PRO A 17 0.019 10.516 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.672 9.755 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.943 10.992 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.754 8.246 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.430 9.613 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.701 7.376 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.331 8.798 -0.565 1.00 0.00 H new ATOM 238 N GLY A 18 1.559 9.030 -5.777 1.00 0.00 N ATOM 239 CA GLY A 18 1.753 8.264 -6.997 1.00 0.00 C ATOM 240 C GLY A 18 1.888 6.771 -6.692 1.00 0.00 C ATOM 241 O GLY A 18 1.557 5.931 -7.528 1.00 0.00 O ATOM 0 HA2 GLY A 18 0.911 8.427 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.646 8.616 -7.513 1.00 0.00 H new ATOM 245 N PRO A 19 2.387 6.479 -5.461 1.00 0.00 N ATOM 246 CA PRO A 19 2.570 5.102 -5.037 1.00 0.00 C ATOM 247 C PRO A 19 1.229 4.454 -4.684 1.00 0.00 C ATOM 248 O PRO A 19 1.153 3.242 -4.487 1.00 0.00 O ATOM 249 CB PRO A 19 3.522 5.177 -3.853 1.00 0.00 C ATOM 250 CG PRO A 19 3.470 6.617 -3.370 1.00 0.00 C ATOM 251 CD PRO A 19 2.790 7.447 -4.446 1.00 0.00 C ATOM 0 HA PRO A 19 2.983 4.472 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.219 4.489 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.534 4.900 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.920 6.685 -2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.475 6.991 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.929 7.984 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.469 8.194 -4.858 1.00 0.00 H new ATOM 256 N LEU A 20 0.204 5.290 -4.615 1.00 0.00 N ATOM 257 CA LEU A 20 -1.129 4.816 -4.290 1.00 0.00 C ATOM 258 C LEU A 20 -1.394 3.505 -5.032 1.00 0.00 C ATOM 259 O LEU A 20 -2.117 2.641 -4.537 1.00 0.00 O ATOM 260 CB LEU A 20 -2.169 5.902 -4.571 1.00 0.00 C ATOM 261 CG LEU A 20 -3.462 5.435 -5.243 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.781 6.290 -6.471 1.00 0.00 C ATOM 263 CD2 LEU A 20 -3.397 3.945 -5.583 1.00 0.00 C ATOM 0 H LEU A 20 0.271 6.295 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.207 4.602 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.427 6.383 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.709 6.663 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.281 5.568 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.705 5.937 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.900 7.330 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.966 6.212 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.329 3.640 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.565 3.763 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.251 3.369 -4.669 1.00 0.00 H new ATOM 274 N MET A 21 -0.793 3.395 -6.209 1.00 0.00 N ATOM 275 CA MET A 21 -0.955 2.204 -7.023 1.00 0.00 C ATOM 276 C MET A 21 0.148 1.185 -6.731 1.00 0.00 C ATOM 277 O MET A 21 -0.013 -0.004 -6.999 1.00 0.00 O ATOM 278 CB MET A 21 -0.916 2.589 -8.505 1.00 0.00 C ATOM 279 CG MET A 21 -2.315 2.544 -9.120 1.00 0.00 C ATOM 280 SD MET A 21 -2.269 3.180 -10.787 1.00 0.00 S ATOM 281 CE MET A 21 -3.203 1.913 -11.629 1.00 0.00 C ATOM 0 H MET A 21 -0.193 4.112 -6.617 1.00 0.00 H new ATOM 0 HA MET A 21 -1.916 1.750 -6.781 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.499 3.590 -8.613 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.256 1.909 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.687 1.520 -9.123 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.006 3.133 -8.516 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.271 2.156 -12.689 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.703 0.952 -11.508 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.205 1.857 -11.204 1.00 0.00 H new ATOM 289 N GLU A 22 1.245 1.689 -6.186 1.00 0.00 N ATOM 290 CA GLU A 22 2.376 0.839 -5.854 1.00 0.00 C ATOM 291 C GLU A 22 1.911 -0.360 -5.022 1.00 0.00 C ATOM 292 O GLU A 22 2.449 -1.458 -5.155 1.00 0.00 O ATOM 293 CB GLU A 22 3.460 1.629 -5.120 1.00 0.00 C ATOM 294 CG GLU A 22 4.365 2.367 -6.109 1.00 0.00 C ATOM 295 CD GLU A 22 3.752 2.377 -7.510 1.00 0.00 C ATOM 296 OE1 GLU A 22 4.146 1.570 -8.366 1.00 0.00 O ATOM 297 OE2 GLU A 22 2.831 3.263 -7.697 1.00 0.00 O ATOM 0 H GLU A 22 1.375 2.676 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 22 2.811 0.467 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.997 2.345 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.058 0.952 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.522 3.391 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.343 1.888 -6.140 1.00 0.00 H new ATOM 303 N LEU A 23 0.919 -0.106 -4.182 1.00 0.00 N ATOM 304 CA LEU A 23 0.376 -1.150 -3.328 1.00 0.00 C ATOM 305 C LEU A 23 -0.460 -2.112 -4.174 1.00 0.00 C ATOM 306 O LEU A 23 -0.242 -3.322 -4.143 1.00 0.00 O ATOM 307 CB LEU A 23 -0.390 -0.537 -2.154 1.00 0.00 C ATOM 308 CG LEU A 23 0.448 0.242 -1.139 1.00 0.00 C ATOM 309 CD1 LEU A 23 -0.445 0.970 -0.132 1.00 0.00 C ATOM 310 CD2 LEU A 23 1.463 -0.672 -0.448 1.00 0.00 C ATOM 0 H LEU A 23 0.477 0.807 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 23 1.181 -1.735 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.154 0.131 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.910 -1.338 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 23 1.013 1.003 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.177 1.516 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.093 1.670 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.056 0.244 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.046 -0.093 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.937 -1.471 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.131 -1.104 -1.194 1.00 0.00 H new ATOM 321 N ILE A 24 -1.400 -1.537 -4.910 1.00 0.00 N ATOM 322 CA ILE A 24 -2.270 -2.328 -5.763 1.00 0.00 C ATOM 323 C ILE A 24 -1.418 -3.165 -6.717 1.00 0.00 C ATOM 324 O ILE A 24 -1.759 -4.308 -7.020 1.00 0.00 O ATOM 325 CB ILE A 24 -3.285 -1.430 -6.473 1.00 0.00 C ATOM 326 CG1 ILE A 24 -3.035 0.045 -6.148 1.00 0.00 C ATOM 327 CG2 ILE A 24 -4.718 -1.854 -6.145 1.00 0.00 C ATOM 328 CD1 ILE A 24 -4.112 0.934 -6.771 1.00 0.00 C ATOM 0 H ILE A 24 -1.578 -0.533 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.858 -3.025 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.152 -1.550 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.023 0.186 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.054 0.342 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.419 -1.199 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.876 -2.883 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.881 -1.783 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.911 1.977 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.105 0.809 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.089 0.651 -6.379 1.00 0.00 H new ATOM 339 N LYS A 25 -0.325 -2.566 -7.166 1.00 0.00 N ATOM 340 CA LYS A 25 0.580 -3.243 -8.080 1.00 0.00 C ATOM 341 C LYS A 25 1.570 -4.089 -7.277 1.00 0.00 C ATOM 342 O LYS A 25 2.267 -4.934 -7.836 1.00 0.00 O ATOM 343 CB LYS A 25 1.249 -2.235 -9.015 1.00 0.00 C ATOM 344 CG LYS A 25 2.294 -1.402 -8.268 1.00 0.00 C ATOM 345 CD LYS A 25 3.707 -1.737 -8.749 1.00 0.00 C ATOM 346 CE LYS A 25 3.933 -1.235 -10.176 1.00 0.00 C ATOM 347 NZ LYS A 25 3.903 -2.363 -11.133 1.00 0.00 N ATOM 0 H LYS A 25 -0.045 -1.618 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 25 0.029 -3.926 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.723 -2.761 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.494 -1.577 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.096 -0.341 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.216 -1.590 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.439 -1.285 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.862 -2.815 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.165 -0.508 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.893 -0.722 -10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.619 -2.211 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.108 -3.250 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.961 -2.422 -11.570 1.00 0.00 H new ATOM 356 N ALA A 26 1.601 -3.833 -5.977 1.00 0.00 N ATOM 357 CA ALA A 26 2.494 -4.560 -5.092 1.00 0.00 C ATOM 358 C ALA A 26 1.775 -5.799 -4.555 1.00 0.00 C ATOM 359 O ALA A 26 2.332 -6.896 -4.562 1.00 0.00 O ATOM 360 CB ALA A 26 2.971 -3.632 -3.972 1.00 0.00 C ATOM 0 H ALA A 26 1.021 -3.132 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 26 3.377 -4.899 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.641 -4.178 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.500 -2.783 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.111 -3.274 -3.406 1.00 0.00 H new ATOM 366 N TYR A 27 0.549 -5.584 -4.103 1.00 0.00 N ATOM 367 CA TYR A 27 -0.252 -6.670 -3.563 1.00 0.00 C ATOM 368 C TYR A 27 -0.140 -7.921 -4.438 1.00 0.00 C ATOM 369 O TYR A 27 -0.196 -9.041 -3.935 1.00 0.00 O ATOM 370 CB TYR A 27 -1.700 -6.177 -3.585 1.00 0.00 C ATOM 371 CG TYR A 27 -2.248 -5.914 -4.989 1.00 0.00 C ATOM 372 CD1 TYR A 27 -2.406 -6.960 -5.874 1.00 0.00 C ATOM 373 CD2 TYR A 27 -2.583 -4.631 -5.370 1.00 0.00 C ATOM 374 CE1 TYR A 27 -2.922 -6.713 -7.197 1.00 0.00 C ATOM 375 CE2 TYR A 27 -3.098 -4.383 -6.692 1.00 0.00 C ATOM 376 CZ TYR A 27 -3.242 -5.436 -7.539 1.00 0.00 C ATOM 377 OH TYR A 27 -3.729 -5.203 -8.788 1.00 0.00 O ATOM 0 H TYR A 27 0.090 -4.673 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 27 0.085 -6.934 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.332 -6.916 -3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.769 -5.259 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.143 -7.964 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.459 -3.812 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.051 -7.523 -7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.364 -3.383 -7.003 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.915 -4.247 -8.893 1.00 0.00 H new ATOM 386 N LYS A 28 0.019 -7.687 -5.732 1.00 0.00 N ATOM 387 CA LYS A 28 0.140 -8.781 -6.681 1.00 0.00 C ATOM 388 C LYS A 28 1.468 -9.506 -6.449 1.00 0.00 C ATOM 389 O LYS A 28 1.621 -10.665 -6.833 1.00 0.00 O ATOM 390 CB LYS A 28 -0.040 -8.271 -8.111 1.00 0.00 C ATOM 391 CG LYS A 28 -1.239 -8.941 -8.785 1.00 0.00 C ATOM 392 CD LYS A 28 -0.783 -9.929 -9.861 1.00 0.00 C ATOM 393 CE LYS A 28 -0.924 -11.372 -9.376 1.00 0.00 C ATOM 394 NZ LYS A 28 0.109 -12.231 -9.995 1.00 0.00 N ATOM 0 H LYS A 28 0.067 -6.756 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.654 -9.511 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.181 -7.190 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.863 -8.469 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.836 -9.463 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.880 -8.182 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.375 -9.786 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.256 -9.730 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.832 -11.407 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.916 -11.750 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.002 -13.207 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.003 -12.211 -11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.053 -11.879 -9.737 1.00 0.00 H new ATOM 403 N GLN A 29 2.393 -8.795 -5.822 1.00 0.00 N ATOM 404 CA GLN A 29 3.702 -9.356 -5.534 1.00 0.00 C ATOM 405 C GLN A 29 3.602 -10.385 -4.406 1.00 0.00 C ATOM 406 O GLN A 29 4.157 -11.478 -4.506 1.00 0.00 O ATOM 407 CB GLN A 29 4.706 -8.255 -5.186 1.00 0.00 C ATOM 408 CG GLN A 29 6.047 -8.853 -4.756 1.00 0.00 C ATOM 409 CD GLN A 29 5.904 -9.646 -3.455 1.00 0.00 C ATOM 410 OE1 GLN A 29 5.427 -8.934 -2.438 1.00 0.00 O flip ATOM 411 NE2 GLN A 29 6.205 -10.825 -3.380 1.00 0.00 N flip ATOM 0 H GLN A 29 2.262 -7.834 -5.505 1.00 0.00 H new ATOM 0 HA GLN A 29 4.064 -9.862 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.853 -7.606 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.307 -7.634 -4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.427 -9.504 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.778 -8.056 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.566 -11.312 -4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.096 -11.324 -2.497 1.00 0.00 H new ATOM 418 N ALA A 30 2.889 -9.998 -3.358 1.00 0.00 N ATOM 419 CA ALA A 30 2.710 -10.874 -2.212 1.00 0.00 C ATOM 420 C ALA A 30 1.524 -11.805 -2.469 1.00 0.00 C ATOM 421 O ALA A 30 1.172 -12.068 -3.618 1.00 0.00 O ATOM 422 CB ALA A 30 2.526 -10.031 -0.949 1.00 0.00 C ATOM 0 H ALA A 30 2.429 -9.091 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 30 3.592 -11.496 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.392 -10.688 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.407 -9.408 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.648 -9.395 -1.061 1.00 0.00 H new ATOM 428 N LYS A 31 0.938 -12.280 -1.380 1.00 0.00 N ATOM 429 CA LYS A 31 -0.201 -13.177 -1.472 1.00 0.00 C ATOM 430 C LYS A 31 -1.093 -12.991 -0.242 1.00 0.00 C ATOM 431 O LYS A 31 -0.666 -12.414 0.757 1.00 0.00 O ATOM 432 CB LYS A 31 0.267 -14.619 -1.678 1.00 0.00 C ATOM 433 CG LYS A 31 1.428 -14.958 -0.741 1.00 0.00 C ATOM 434 CD LYS A 31 0.923 -15.630 0.537 1.00 0.00 C ATOM 435 CE LYS A 31 1.298 -17.114 0.561 1.00 0.00 C ATOM 436 NZ LYS A 31 1.018 -17.697 1.892 1.00 0.00 N ATOM 0 H LYS A 31 1.231 -12.060 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.806 -12.934 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.562 -15.303 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.578 -14.760 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.130 -15.618 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.973 -14.049 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.348 -15.130 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.160 -15.524 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.735 -17.650 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.355 -17.232 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.278 -18.704 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.574 -17.196 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.005 -17.601 2.107 1.00 0.00 H new ATOM 445 N VAL A 32 -2.316 -13.488 -0.356 1.00 0.00 N ATOM 446 CA VAL A 32 -3.271 -13.384 0.733 1.00 0.00 C ATOM 447 C VAL A 32 -2.622 -13.883 2.025 1.00 0.00 C ATOM 448 O VAL A 32 -2.012 -14.951 2.045 1.00 0.00 O ATOM 449 CB VAL A 32 -4.554 -14.139 0.378 1.00 0.00 C ATOM 450 CG1 VAL A 32 -4.331 -15.069 -0.816 1.00 0.00 C ATOM 451 CG2 VAL A 32 -5.086 -14.913 1.585 1.00 0.00 C ATOM 0 H VAL A 32 -2.667 -13.964 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.555 -12.344 0.893 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.307 -13.404 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.258 -15.593 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.020 -14.483 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.555 -15.795 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.998 -15.441 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.337 -15.633 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.303 -14.218 2.396 1.00 0.00 H new ATOM 461 N GLY A 33 -2.774 -13.086 3.072 1.00 0.00 N ATOM 462 CA GLY A 33 -2.210 -13.434 4.365 1.00 0.00 C ATOM 463 C GLY A 33 -0.804 -12.852 4.526 1.00 0.00 C ATOM 464 O GLY A 33 -0.139 -13.092 5.531 1.00 0.00 O ATOM 0 HA2 GLY A 33 -2.855 -13.060 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.172 -14.518 4.469 1.00 0.00 H new ATOM 468 N GLU A 34 -0.394 -12.097 3.517 1.00 0.00 N ATOM 469 CA GLU A 34 0.921 -11.478 3.532 1.00 0.00 C ATOM 470 C GLU A 34 0.795 -9.968 3.746 1.00 0.00 C ATOM 471 O GLU A 34 -0.312 -9.438 3.814 1.00 0.00 O ATOM 472 CB GLU A 34 1.688 -11.787 2.246 1.00 0.00 C ATOM 473 CG GLU A 34 3.165 -12.057 2.539 1.00 0.00 C ATOM 474 CD GLU A 34 3.361 -13.453 3.133 1.00 0.00 C ATOM 475 OE1 GLU A 34 2.450 -14.292 3.057 1.00 0.00 O ATOM 476 OE2 GLU A 34 4.507 -13.654 3.690 1.00 0.00 O ATOM 0 H GLU A 34 -0.949 -11.900 2.684 1.00 0.00 H new ATOM 0 HA GLU A 34 1.488 -11.897 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.247 -12.654 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.598 -10.949 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.744 -11.964 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.545 -11.307 3.232 1.00 0.00 H new ATOM 482 N VAL A 35 1.946 -9.318 3.844 1.00 0.00 N ATOM 483 CA VAL A 35 1.978 -7.880 4.049 1.00 0.00 C ATOM 484 C VAL A 35 3.111 -7.277 3.218 1.00 0.00 C ATOM 485 O VAL A 35 4.044 -7.979 2.831 1.00 0.00 O ATOM 486 CB VAL A 35 2.098 -7.566 5.541 1.00 0.00 C ATOM 487 CG1 VAL A 35 0.820 -6.911 6.070 1.00 0.00 C ATOM 488 CG2 VAL A 35 2.439 -8.825 6.342 1.00 0.00 C ATOM 0 H VAL A 35 2.863 -9.761 3.785 1.00 0.00 H new ATOM 0 HA VAL A 35 1.048 -7.425 3.710 1.00 0.00 H new ATOM 0 HB VAL A 35 2.915 -6.856 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.933 -6.699 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.638 -5.981 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.023 -7.586 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.518 -8.573 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.653 -9.568 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.388 -9.232 5.994 1.00 0.00 H new ATOM 498 N ILE A 36 2.993 -5.981 2.967 1.00 0.00 N ATOM 499 CA ILE A 36 3.996 -5.276 2.188 1.00 0.00 C ATOM 500 C ILE A 36 4.044 -3.812 2.633 1.00 0.00 C ATOM 501 O ILE A 36 3.006 -3.199 2.876 1.00 0.00 O ATOM 502 CB ILE A 36 3.737 -5.455 0.691 1.00 0.00 C ATOM 503 CG1 ILE A 36 2.473 -4.708 0.260 1.00 0.00 C ATOM 504 CG2 ILE A 36 3.682 -6.938 0.318 1.00 0.00 C ATOM 505 CD1 ILE A 36 1.257 -5.182 1.059 1.00 0.00 C ATOM 0 H ILE A 36 2.218 -5.401 3.289 1.00 0.00 H new ATOM 0 HA ILE A 36 4.984 -5.698 2.369 1.00 0.00 H new ATOM 0 HB ILE A 36 4.572 -5.016 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.612 -3.637 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.298 -4.866 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.497 -7.038 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.632 -7.411 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.878 -7.423 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.372 -4.635 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.106 -6.249 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.426 -5.000 2.120 1.00 0.00 H new ATOM 516 N SER A 37 5.260 -3.294 2.725 1.00 0.00 N ATOM 517 CA SER A 37 5.456 -1.914 3.136 1.00 0.00 C ATOM 518 C SER A 37 5.838 -1.057 1.927 1.00 0.00 C ATOM 519 O SER A 37 6.700 -1.440 1.138 1.00 0.00 O ATOM 520 CB SER A 37 6.531 -1.810 4.220 1.00 0.00 C ATOM 521 OG SER A 37 7.429 -0.730 3.980 1.00 0.00 O ATOM 0 H SER A 37 6.119 -3.805 2.522 1.00 0.00 H new ATOM 0 HA SER A 37 4.519 -1.545 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.055 -1.676 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.091 -2.744 4.266 1.00 0.00 H new ATOM 0 HG SER A 37 7.017 0.109 4.273 1.00 0.00 H new ATOM 526 N VAL A 38 5.178 0.086 1.820 1.00 0.00 N ATOM 527 CA VAL A 38 5.436 1.000 0.720 1.00 0.00 C ATOM 528 C VAL A 38 5.881 2.352 1.281 1.00 0.00 C ATOM 529 O VAL A 38 5.809 2.582 2.488 1.00 0.00 O ATOM 530 CB VAL A 38 4.202 1.102 -0.177 1.00 0.00 C ATOM 531 CG1 VAL A 38 3.087 1.890 0.511 1.00 0.00 C ATOM 532 CG2 VAL A 38 4.557 1.722 -1.530 1.00 0.00 C ATOM 0 H VAL A 38 4.464 0.401 2.477 1.00 0.00 H new ATOM 0 HA VAL A 38 6.245 0.625 0.094 1.00 0.00 H new ATOM 0 HB VAL A 38 3.835 0.091 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.221 1.947 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.805 1.389 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.439 2.897 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.662 1.783 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.961 2.723 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.302 1.103 -2.030 1.00 0.00 H new ATOM 542 N TYR A 39 6.330 3.212 0.379 1.00 0.00 N ATOM 543 CA TYR A 39 6.786 4.536 0.769 1.00 0.00 C ATOM 544 C TYR A 39 6.578 5.543 -0.364 1.00 0.00 C ATOM 545 O TYR A 39 6.377 5.156 -1.515 1.00 0.00 O ATOM 546 CB TYR A 39 8.285 4.401 1.047 1.00 0.00 C ATOM 547 CG TYR A 39 8.908 3.123 0.484 1.00 0.00 C ATOM 548 CD1 TYR A 39 8.136 1.990 0.326 1.00 0.00 C ATOM 549 CD2 TYR A 39 10.244 3.102 0.136 1.00 0.00 C ATOM 550 CE1 TYR A 39 8.724 0.786 -0.202 1.00 0.00 C ATOM 551 CE2 TYR A 39 10.832 1.899 -0.394 1.00 0.00 C ATOM 552 CZ TYR A 39 10.042 0.799 -0.536 1.00 0.00 C ATOM 553 OH TYR A 39 10.598 -0.337 -1.036 1.00 0.00 O ATOM 0 H TYR A 39 6.388 3.018 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 39 6.231 4.893 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.802 5.262 0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.449 4.429 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.091 2.006 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.848 3.988 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 39 8.131 -0.108 -0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.875 1.870 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 39 11.497 -0.453 -0.663 1.00 0.00 H new ATOM 562 N SER A 40 6.634 6.815 0.001 1.00 0.00 N ATOM 563 CA SER A 40 6.453 7.881 -0.971 1.00 0.00 C ATOM 564 C SER A 40 6.853 9.224 -0.355 1.00 0.00 C ATOM 565 O SER A 40 7.217 9.288 0.818 1.00 0.00 O ATOM 566 CB SER A 40 5.007 7.935 -1.467 1.00 0.00 C ATOM 567 OG SER A 40 4.821 8.943 -2.458 1.00 0.00 O ATOM 0 HA SER A 40 7.095 7.675 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.728 6.965 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.342 8.127 -0.625 1.00 0.00 H new ATOM 0 HG SER A 40 3.863 9.117 -2.572 1.00 0.00 H new ATOM 572 N THR A 41 6.773 10.261 -1.175 1.00 0.00 N ATOM 573 CA THR A 41 7.123 11.598 -0.726 1.00 0.00 C ATOM 574 C THR A 41 6.070 12.607 -1.186 1.00 0.00 C ATOM 575 O THR A 41 5.837 13.615 -0.519 1.00 0.00 O ATOM 576 CB THR A 41 8.531 11.914 -1.233 1.00 0.00 C ATOM 577 OG1 THR A 41 9.390 11.221 -0.333 1.00 0.00 O ATOM 578 CG2 THR A 41 8.905 13.387 -1.046 1.00 0.00 C ATOM 0 H THR A 41 6.471 10.203 -2.148 1.00 0.00 H new ATOM 0 HA THR A 41 7.133 11.660 0.362 1.00 0.00 H new ATOM 0 HB THR A 41 8.602 11.653 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.503 11.750 0.484 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.914 13.557 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.202 14.013 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.865 13.641 0.013 1.00 0.00 H new ATOM 586 N ASP A 42 5.462 12.304 -2.324 1.00 0.00 N ATOM 587 CA ASP A 42 4.439 13.172 -2.881 1.00 0.00 C ATOM 588 C ASP A 42 3.417 13.511 -1.794 1.00 0.00 C ATOM 589 O ASP A 42 2.713 14.516 -1.891 1.00 0.00 O ATOM 590 CB ASP A 42 3.698 12.483 -4.028 1.00 0.00 C ATOM 591 CG ASP A 42 3.648 13.278 -5.335 1.00 0.00 C ATOM 592 OD1 ASP A 42 3.035 12.845 -6.323 1.00 0.00 O ATOM 593 OD2 ASP A 42 4.282 14.401 -5.314 1.00 0.00 O ATOM 0 H ASP A 42 5.659 11.469 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 42 4.927 14.072 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.174 11.522 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.677 12.274 -3.708 1.00 0.00 H new ATOM 598 N ALA A 43 3.368 12.656 -0.784 1.00 0.00 N ATOM 599 CA ALA A 43 2.445 12.852 0.320 1.00 0.00 C ATOM 600 C ALA A 43 1.009 12.715 -0.192 1.00 0.00 C ATOM 601 O ALA A 43 0.078 13.247 0.410 1.00 0.00 O ATOM 602 CB ALA A 43 2.704 14.215 0.966 1.00 0.00 C ATOM 0 H ALA A 43 3.954 11.824 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 43 2.597 12.092 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.011 14.362 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.728 14.253 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.557 15.002 0.226 1.00 0.00 H new ATOM 608 N GLY A 44 0.875 11.998 -1.298 1.00 0.00 N ATOM 609 CA GLY A 44 -0.431 11.783 -1.897 1.00 0.00 C ATOM 610 C GLY A 44 -0.917 10.352 -1.655 1.00 0.00 C ATOM 611 O GLY A 44 -2.098 10.129 -1.392 1.00 0.00 O ATOM 0 H GLY A 44 1.650 11.558 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.148 12.490 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.380 11.977 -2.968 1.00 0.00 H new ATOM 615 N THR A 45 0.019 9.419 -1.753 1.00 0.00 N ATOM 616 CA THR A 45 -0.299 8.016 -1.548 1.00 0.00 C ATOM 617 C THR A 45 -0.714 7.769 -0.096 1.00 0.00 C ATOM 618 O THR A 45 -1.464 6.837 0.189 1.00 0.00 O ATOM 619 CB THR A 45 0.911 7.188 -1.983 1.00 0.00 C ATOM 620 OG1 THR A 45 0.342 6.042 -2.609 1.00 0.00 O ATOM 621 CG2 THR A 45 1.688 6.618 -0.795 1.00 0.00 C ATOM 0 HA THR A 45 -1.153 7.712 -2.153 1.00 0.00 H new ATOM 0 HB THR A 45 1.575 7.806 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.537 6.039 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.048 7.435 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.034 5.973 -0.208 1.00 0.00 H new ATOM 629 N LYS A 46 -0.207 8.621 0.783 1.00 0.00 N ATOM 630 CA LYS A 46 -0.515 8.507 2.198 1.00 0.00 C ATOM 631 C LYS A 46 -2.028 8.359 2.376 1.00 0.00 C ATOM 632 O LYS A 46 -2.484 7.648 3.270 1.00 0.00 O ATOM 633 CB LYS A 46 0.082 9.684 2.973 1.00 0.00 C ATOM 634 CG LYS A 46 0.989 9.193 4.103 1.00 0.00 C ATOM 635 CD LYS A 46 1.769 10.354 4.723 1.00 0.00 C ATOM 636 CE LYS A 46 2.197 11.361 3.654 1.00 0.00 C ATOM 637 NZ LYS A 46 1.097 12.309 3.366 1.00 0.00 N ATOM 0 H LYS A 46 0.415 9.393 0.542 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.055 7.612 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.652 10.319 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.720 10.297 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.388 8.703 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.685 8.447 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.152 10.853 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.649 9.971 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.077 11.908 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.480 10.835 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.832 12.239 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.275 12.077 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.411 13.278 3.574 1.00 0.00 H new ATOM 646 N LYS A 47 -2.763 9.040 1.511 1.00 0.00 N ATOM 647 CA LYS A 47 -4.214 8.992 1.561 1.00 0.00 C ATOM 648 C LYS A 47 -4.714 7.856 0.667 1.00 0.00 C ATOM 649 O LYS A 47 -5.633 7.127 1.039 1.00 0.00 O ATOM 650 CB LYS A 47 -4.808 10.358 1.209 1.00 0.00 C ATOM 651 CG LYS A 47 -4.141 10.940 -0.039 1.00 0.00 C ATOM 652 CD LYS A 47 -3.024 11.914 0.340 1.00 0.00 C ATOM 653 CE LYS A 47 -3.311 13.316 -0.202 1.00 0.00 C ATOM 654 NZ LYS A 47 -4.109 14.094 0.772 1.00 0.00 N ATOM 0 H LYS A 47 -2.381 9.629 0.771 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.553 8.774 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.880 10.260 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.678 11.042 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.734 10.133 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.885 11.454 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.923 11.953 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.074 11.555 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.373 13.832 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.849 13.244 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.295 15.043 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.012 13.608 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.582 14.178 1.664 1.00 0.00 H new ATOM 663 N ASP A 48 -4.088 7.739 -0.494 1.00 0.00 N ATOM 664 CA ASP A 48 -4.457 6.703 -1.444 1.00 0.00 C ATOM 665 C ASP A 48 -3.708 5.414 -1.102 1.00 0.00 C ATOM 666 O ASP A 48 -4.226 4.317 -1.309 1.00 0.00 O ATOM 667 CB ASP A 48 -4.081 7.105 -2.871 1.00 0.00 C ATOM 668 CG ASP A 48 -5.266 7.345 -3.809 1.00 0.00 C ATOM 669 OD1 ASP A 48 -5.636 6.471 -4.606 1.00 0.00 O ATOM 670 OD2 ASP A 48 -5.823 8.504 -3.696 1.00 0.00 O ATOM 0 H ASP A 48 -3.327 8.345 -0.799 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.536 6.558 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.480 8.013 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.451 6.325 -3.298 1.00 0.00 H new ATOM 675 N ALA A 49 -2.500 5.588 -0.585 1.00 0.00 N ATOM 676 CA ALA A 49 -1.675 4.452 -0.214 1.00 0.00 C ATOM 677 C ALA A 49 -2.545 3.396 0.471 1.00 0.00 C ATOM 678 O ALA A 49 -2.450 2.210 0.159 1.00 0.00 O ATOM 679 CB ALA A 49 -0.524 4.926 0.678 1.00 0.00 C ATOM 0 H ALA A 49 -2.074 6.499 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.235 3.993 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.095 4.073 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.081 5.652 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.928 5.390 1.578 1.00 0.00 H new ATOM 685 N PRO A 50 -3.397 3.878 1.415 1.00 0.00 N ATOM 686 CA PRO A 50 -4.284 2.990 2.147 1.00 0.00 C ATOM 687 C PRO A 50 -5.456 2.541 1.269 1.00 0.00 C ATOM 688 O PRO A 50 -6.368 1.868 1.744 1.00 0.00 O ATOM 689 CB PRO A 50 -4.725 3.787 3.363 1.00 0.00 C ATOM 690 CG PRO A 50 -4.443 5.244 3.032 1.00 0.00 C ATOM 691 CD PRO A 50 -3.537 5.277 1.811 1.00 0.00 C ATOM 0 HA PRO A 50 -3.795 2.064 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.784 3.631 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.178 3.476 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.373 5.777 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.965 5.742 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.974 5.873 1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.570 5.720 2.048 1.00 0.00 H new ATOM 696 N ALA A 51 -5.391 2.934 0.006 1.00 0.00 N ATOM 697 CA ALA A 51 -6.435 2.581 -0.942 1.00 0.00 C ATOM 698 C ALA A 51 -5.920 1.483 -1.875 1.00 0.00 C ATOM 699 O ALA A 51 -6.683 0.616 -2.297 1.00 0.00 O ATOM 700 CB ALA A 51 -6.879 3.833 -1.701 1.00 0.00 C ATOM 0 H ALA A 51 -4.632 3.493 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.309 2.188 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.662 3.569 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.263 4.569 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.029 4.254 -2.237 1.00 0.00 H new ATOM 706 N TRP A 52 -4.631 1.558 -2.170 1.00 0.00 N ATOM 707 CA TRP A 52 -4.006 0.582 -3.046 1.00 0.00 C ATOM 708 C TRP A 52 -4.444 -0.812 -2.590 1.00 0.00 C ATOM 709 O TRP A 52 -5.234 -1.469 -3.266 1.00 0.00 O ATOM 710 CB TRP A 52 -2.485 0.754 -3.063 1.00 0.00 C ATOM 711 CG TRP A 52 -2.020 2.194 -2.833 1.00 0.00 C ATOM 712 CD1 TRP A 52 -2.774 3.296 -2.716 1.00 0.00 C ATOM 713 CD2 TRP A 52 -0.656 2.645 -2.695 1.00 0.00 C ATOM 714 NE1 TRP A 52 -1.998 4.419 -2.515 1.00 0.00 N ATOM 715 CE2 TRP A 52 -0.670 4.010 -2.502 1.00 0.00 C ATOM 716 CE3 TRP A 52 0.549 1.922 -2.733 1.00 0.00 C ATOM 717 CZ2 TRP A 52 0.493 4.772 -2.332 1.00 0.00 C ATOM 718 CZ3 TRP A 52 1.702 2.697 -2.562 1.00 0.00 C ATOM 719 CH2 TRP A 52 1.705 4.074 -2.366 1.00 0.00 C ATOM 0 H TRP A 52 -4.002 2.280 -1.818 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.327 0.729 -4.077 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.049 0.115 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.101 0.408 -4.022 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -3.853 3.304 -2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.337 5.374 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.582 0.853 -2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.456 5.841 -2.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.656 2.191 -2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.639 4.602 -2.241 1.00 0.00 H new ATOM 729 N ILE A 53 -3.912 -1.220 -1.448 1.00 0.00 N ATOM 730 CA ILE A 53 -4.239 -2.523 -0.894 1.00 0.00 C ATOM 731 C ILE A 53 -5.751 -2.741 -0.970 1.00 0.00 C ATOM 732 O ILE A 53 -6.210 -3.809 -1.371 1.00 0.00 O ATOM 733 CB ILE A 53 -3.667 -2.664 0.518 1.00 0.00 C ATOM 734 CG1 ILE A 53 -4.493 -3.648 1.348 1.00 0.00 C ATOM 735 CG2 ILE A 53 -3.546 -1.299 1.199 1.00 0.00 C ATOM 736 CD1 ILE A 53 -5.624 -2.929 2.087 1.00 0.00 C ATOM 0 H ILE A 53 -3.257 -0.672 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.773 -3.314 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.660 -3.075 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.910 -4.417 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.848 -4.154 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.137 -1.427 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.884 -0.659 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.531 -0.837 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.195 -3.652 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.202 -2.177 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.281 -2.445 1.364 1.00 0.00 H new ATOM 747 N GLN A 54 -6.485 -1.709 -0.577 1.00 0.00 N ATOM 748 CA GLN A 54 -7.936 -1.774 -0.594 1.00 0.00 C ATOM 749 C GLN A 54 -8.415 -2.640 -1.762 1.00 0.00 C ATOM 750 O GLN A 54 -9.377 -3.393 -1.627 1.00 0.00 O ATOM 751 CB GLN A 54 -8.547 -0.373 -0.665 1.00 0.00 C ATOM 752 CG GLN A 54 -10.066 -0.427 -0.500 1.00 0.00 C ATOM 753 CD GLN A 54 -10.765 0.421 -1.565 1.00 0.00 C ATOM 754 OE1 GLN A 54 -10.064 1.482 -1.955 1.00 0.00 O flip ATOM 755 NE2 GLN A 54 -11.867 0.132 -2.001 1.00 0.00 N flip ATOM 0 H GLN A 54 -6.101 -0.824 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.270 -2.234 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.115 0.255 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.298 0.088 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.406 -1.460 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.340 -0.069 0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.350 -0.698 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.305 0.720 -2.710 1.00 0.00 H new ATOM 762 N LYS A 55 -7.721 -2.501 -2.883 1.00 0.00 N ATOM 763 CA LYS A 55 -8.063 -3.262 -4.072 1.00 0.00 C ATOM 764 C LYS A 55 -7.114 -4.455 -4.200 1.00 0.00 C ATOM 765 O LYS A 55 -7.534 -5.549 -4.572 1.00 0.00 O ATOM 766 CB LYS A 55 -8.076 -2.352 -5.304 1.00 0.00 C ATOM 767 CG LYS A 55 -8.814 -1.044 -5.011 1.00 0.00 C ATOM 768 CD LYS A 55 -7.828 0.081 -4.689 1.00 0.00 C ATOM 769 CE LYS A 55 -7.277 0.710 -5.970 1.00 0.00 C ATOM 770 NZ LYS A 55 -7.295 -0.270 -7.078 1.00 0.00 N ATOM 0 H LYS A 55 -6.924 -1.873 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.072 -3.665 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.053 -2.136 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.557 -2.867 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.422 -0.765 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.495 -1.187 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.324 0.844 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.006 -0.311 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.872 1.583 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.258 1.059 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.724 0.090 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.899 -1.174 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.274 -0.417 -7.396 1.00 0.00 H new ATOM 779 N SER A 56 -5.853 -4.204 -3.885 1.00 0.00 N ATOM 780 CA SER A 56 -4.841 -5.245 -3.960 1.00 0.00 C ATOM 781 C SER A 56 -5.393 -6.553 -3.391 1.00 0.00 C ATOM 782 O SER A 56 -5.485 -7.553 -4.101 1.00 0.00 O ATOM 783 CB SER A 56 -3.572 -4.834 -3.210 1.00 0.00 C ATOM 784 OG SER A 56 -3.341 -3.430 -3.281 1.00 0.00 O ATOM 0 H SER A 56 -5.508 -3.295 -3.577 1.00 0.00 H new ATOM 0 HA SER A 56 -4.580 -5.393 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.654 -5.135 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.716 -5.364 -3.628 1.00 0.00 H new ATOM 0 HG SER A 56 -2.490 -3.216 -2.845 1.00 0.00 H new ATOM 789 N GLY A 57 -5.746 -6.505 -2.115 1.00 0.00 N ATOM 790 CA GLY A 57 -6.286 -7.674 -1.442 1.00 0.00 C ATOM 791 C GLY A 57 -5.424 -8.063 -0.240 1.00 0.00 C ATOM 792 O GLY A 57 -5.472 -9.202 0.220 1.00 0.00 O ATOM 0 H GLY A 57 -5.668 -5.674 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.305 -7.470 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.339 -8.508 -2.141 1.00 0.00 H new ATOM 796 N GLN A 58 -4.655 -7.094 0.235 1.00 0.00 N ATOM 797 CA GLN A 58 -3.783 -7.321 1.373 1.00 0.00 C ATOM 798 C GLN A 58 -4.331 -6.610 2.612 1.00 0.00 C ATOM 799 O GLN A 58 -5.128 -5.679 2.496 1.00 0.00 O ATOM 800 CB GLN A 58 -2.354 -6.868 1.069 1.00 0.00 C ATOM 801 CG GLN A 58 -2.341 -5.775 -0.001 1.00 0.00 C ATOM 802 CD GLN A 58 -1.089 -5.877 -0.874 1.00 0.00 C ATOM 803 OE1 GLN A 58 -0.569 -7.100 -0.934 1.00 0.00 O flip ATOM 804 NE2 GLN A 58 -0.625 -4.910 -1.455 1.00 0.00 N flip ATOM 0 H GLN A 58 -4.618 -6.150 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.754 -8.392 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.885 -6.496 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.763 -7.719 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.231 -5.861 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.378 -4.795 0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.074 -3.998 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.212 -5.013 -2.029 1.00 0.00 H new ATOM 811 N GLU A 59 -3.885 -7.074 3.769 1.00 0.00 N ATOM 812 CA GLU A 59 -4.321 -6.494 5.028 1.00 0.00 C ATOM 813 C GLU A 59 -4.027 -4.993 5.051 1.00 0.00 C ATOM 814 O GLU A 59 -2.925 -4.567 4.703 1.00 0.00 O ATOM 815 CB GLU A 59 -3.663 -7.200 6.216 1.00 0.00 C ATOM 816 CG GLU A 59 -4.693 -8.000 7.017 1.00 0.00 C ATOM 817 CD GLU A 59 -4.975 -7.334 8.365 1.00 0.00 C ATOM 818 OE1 GLU A 59 -5.719 -6.343 8.423 1.00 0.00 O ATOM 819 OE2 GLU A 59 -4.392 -7.882 9.376 1.00 0.00 O ATOM 0 H GLU A 59 -3.225 -7.846 3.862 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.398 -6.635 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.878 -7.866 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.186 -6.464 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.618 -8.082 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.327 -9.014 7.178 1.00 0.00 H new ATOM 825 N LEU A 60 -5.029 -4.231 5.464 1.00 0.00 N ATOM 826 CA LEU A 60 -4.890 -2.787 5.536 1.00 0.00 C ATOM 827 C LEU A 60 -4.066 -2.419 6.772 1.00 0.00 C ATOM 828 O LEU A 60 -4.439 -2.756 7.895 1.00 0.00 O ATOM 829 CB LEU A 60 -6.263 -2.114 5.492 1.00 0.00 C ATOM 830 CG LEU A 60 -6.273 -0.595 5.674 1.00 0.00 C ATOM 831 CD1 LEU A 60 -5.096 0.052 4.942 1.00 0.00 C ATOM 832 CD2 LEU A 60 -7.615 0.001 5.242 1.00 0.00 C ATOM 0 H LEU A 60 -5.940 -4.587 5.752 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.348 -2.413 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.730 -2.348 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.887 -2.557 6.268 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.151 -0.377 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.126 1.132 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.160 -0.341 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.162 -0.173 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.595 1.082 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.792 -0.226 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.415 -0.428 5.846 1.00 0.00 H new ATOM 843 N VAL A 61 -2.960 -1.733 6.524 1.00 0.00 N ATOM 844 CA VAL A 61 -2.079 -1.317 7.601 1.00 0.00 C ATOM 845 C VAL A 61 -2.240 0.187 7.833 1.00 0.00 C ATOM 846 O VAL A 61 -3.025 0.844 7.152 1.00 0.00 O ATOM 847 CB VAL A 61 -0.638 -1.723 7.288 1.00 0.00 C ATOM 848 CG1 VAL A 61 -0.215 -2.932 8.124 1.00 0.00 C ATOM 849 CG2 VAL A 61 -0.460 -2.000 5.793 1.00 0.00 C ATOM 0 H VAL A 61 -2.654 -1.455 5.592 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.348 -1.821 8.530 1.00 0.00 H new ATOM 0 HB VAL A 61 0.011 -0.889 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.813 -3.200 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.286 -2.685 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.871 -3.774 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.573 -2.287 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.125 -2.809 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.701 -1.101 5.225 1.00 0.00 H new ATOM 859 N GLY A 62 -1.482 0.690 8.796 1.00 0.00 N ATOM 860 CA GLY A 62 -1.530 2.104 9.125 1.00 0.00 C ATOM 861 C GLY A 62 -0.123 2.661 9.356 1.00 0.00 C ATOM 862 O GLY A 62 0.519 2.342 10.355 1.00 0.00 O ATOM 0 H GLY A 62 -0.831 0.143 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.014 2.653 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.135 2.253 10.019 1.00 0.00 H new ATOM 866 N VAL A 63 0.313 3.485 8.415 1.00 0.00 N ATOM 867 CA VAL A 63 1.632 4.090 8.503 1.00 0.00 C ATOM 868 C VAL A 63 1.708 5.278 7.543 1.00 0.00 C ATOM 869 O VAL A 63 1.794 5.095 6.329 1.00 0.00 O ATOM 870 CB VAL A 63 2.710 3.037 8.239 1.00 0.00 C ATOM 871 CG1 VAL A 63 2.783 2.028 9.386 1.00 0.00 C ATOM 872 CG2 VAL A 63 2.471 2.331 6.903 1.00 0.00 C ATOM 0 H VAL A 63 -0.223 3.748 7.588 1.00 0.00 H new ATOM 0 HA VAL A 63 1.811 4.472 9.508 1.00 0.00 H new ATOM 0 HB VAL A 63 3.671 3.549 8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.557 1.291 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.022 2.548 10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.822 1.525 9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.251 1.588 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.499 1.839 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.493 3.063 6.096 1.00 0.00 H new ATOM 882 N PHE A 64 1.674 6.470 8.121 1.00 0.00 N ATOM 883 CA PHE A 64 1.739 7.687 7.331 1.00 0.00 C ATOM 884 C PHE A 64 2.578 8.755 8.036 1.00 0.00 C ATOM 885 O PHE A 64 2.319 9.091 9.191 1.00 0.00 O ATOM 886 CB PHE A 64 0.305 8.200 7.180 1.00 0.00 C ATOM 887 CG PHE A 64 -0.639 7.213 6.492 1.00 0.00 C ATOM 888 CD1 PHE A 64 -0.208 6.493 5.421 1.00 0.00 C ATOM 889 CD2 PHE A 64 -1.910 7.055 6.951 1.00 0.00 C ATOM 890 CE1 PHE A 64 -1.085 5.576 4.783 1.00 0.00 C ATOM 891 CE2 PHE A 64 -2.787 6.138 6.312 1.00 0.00 C ATOM 892 CZ PHE A 64 -2.356 5.419 5.241 1.00 0.00 C ATOM 0 H PHE A 64 1.602 6.618 9.128 1.00 0.00 H new ATOM 0 HA PHE A 64 2.201 7.479 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.091 8.438 8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.320 9.129 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.801 6.619 5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.252 7.627 7.801 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.743 5.003 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.796 6.012 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.023 4.723 4.754 1.00 0.00 H new ATOM 901 N ASP A 65 3.568 9.258 7.312 1.00 0.00 N ATOM 902 CA ASP A 65 4.446 10.281 7.854 1.00 0.00 C ATOM 903 C ASP A 65 5.099 11.047 6.703 1.00 0.00 C ATOM 904 O ASP A 65 5.662 10.445 5.790 1.00 0.00 O ATOM 905 CB ASP A 65 5.560 9.658 8.699 1.00 0.00 C ATOM 906 CG ASP A 65 6.014 10.502 9.892 1.00 0.00 C ATOM 907 OD1 ASP A 65 5.613 11.666 10.041 1.00 0.00 O ATOM 908 OD2 ASP A 65 6.825 9.909 10.702 1.00 0.00 O ATOM 0 H ASP A 65 3.781 8.976 6.355 1.00 0.00 H new ATOM 0 HA ASP A 65 3.847 10.945 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.219 8.690 9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.421 9.470 8.057 1.00 0.00 H new ATOM 913 N ARG A 66 5.003 12.367 6.784 1.00 0.00 N ATOM 914 CA ARG A 66 5.578 13.223 5.759 1.00 0.00 C ATOM 915 C ARG A 66 6.791 13.972 6.314 1.00 0.00 C ATOM 916 O ARG A 66 6.726 15.178 6.550 1.00 0.00 O ATOM 917 CB ARG A 66 4.552 14.236 5.248 1.00 0.00 C ATOM 918 CG ARG A 66 3.916 15.005 6.408 1.00 0.00 C ATOM 919 CD ARG A 66 2.564 14.400 6.791 1.00 0.00 C ATOM 920 NE ARG A 66 1.654 15.462 7.277 1.00 0.00 N ATOM 921 CZ ARG A 66 0.366 15.254 7.623 1.00 0.00 C ATOM 922 NH1 ARG A 66 -0.177 14.021 7.537 1.00 0.00 N ATOM 923 NH2 ARG A 66 -0.357 16.276 8.043 1.00 0.00 N ATOM 0 H ARG A 66 4.536 12.864 7.543 1.00 0.00 H new ATOM 0 HA ARG A 66 5.887 12.587 4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.035 14.935 4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.777 13.720 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.583 14.988 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.784 16.050 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.124 13.898 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.700 13.644 7.565 1.00 0.00 H new ATOM 0 HE ARG A 66 2.023 16.410 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.387 13.237 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.151 13.873 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.059 17.205 8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.332 16.136 8.308 1.00 0.00 H new ATOM 933 N ASN A 67 7.870 13.227 6.506 1.00 0.00 N ATOM 934 CA ASN A 67 9.096 13.806 7.027 1.00 0.00 C ATOM 935 C ASN A 67 10.205 13.669 5.983 1.00 0.00 C ATOM 936 O ASN A 67 11.220 14.360 6.055 1.00 0.00 O ATOM 937 CB ASN A 67 9.550 13.083 8.297 1.00 0.00 C ATOM 938 CG ASN A 67 10.946 13.543 8.721 1.00 0.00 C ATOM 939 OD1 ASN A 67 11.911 12.797 8.685 1.00 0.00 O ATOM 940 ND2 ASN A 67 10.999 14.810 9.124 1.00 0.00 N ATOM 0 H ASN A 67 7.920 12.227 6.310 1.00 0.00 H new ATOM 0 HA ASN A 67 8.902 14.854 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.840 13.274 9.102 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.555 12.007 8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.886 15.212 9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.153 15.379 9.129 1.00 0.00 H new ATOM 946 N GLY A 68 9.975 12.770 5.037 1.00 0.00 N ATOM 947 CA GLY A 68 10.942 12.533 3.978 1.00 0.00 C ATOM 948 C GLY A 68 10.319 11.728 2.836 1.00 0.00 C ATOM 949 O GLY A 68 10.507 12.057 1.666 1.00 0.00 O ATOM 0 H GLY A 68 9.133 12.197 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.310 13.486 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.802 11.996 4.379 1.00 0.00 H new ATOM 953 N TYR A 69 9.589 10.689 3.216 1.00 0.00 N ATOM 954 CA TYR A 69 8.938 9.835 2.239 1.00 0.00 C ATOM 955 C TYR A 69 7.817 9.018 2.885 1.00 0.00 C ATOM 956 O TYR A 69 8.063 8.237 3.802 1.00 0.00 O ATOM 957 CB TYR A 69 10.017 8.880 1.726 1.00 0.00 C ATOM 958 CG TYR A 69 10.258 7.669 2.629 1.00 0.00 C ATOM 959 CD1 TYR A 69 10.578 7.854 3.959 1.00 0.00 C ATOM 960 CD2 TYR A 69 10.156 6.394 2.115 1.00 0.00 C ATOM 961 CE1 TYR A 69 10.806 6.715 4.810 1.00 0.00 C ATOM 962 CE2 TYR A 69 10.383 5.254 2.966 1.00 0.00 C ATOM 963 CZ TYR A 69 10.697 5.471 4.272 1.00 0.00 C ATOM 964 OH TYR A 69 10.911 4.395 5.076 1.00 0.00 O ATOM 0 H TYR A 69 9.435 10.420 4.188 1.00 0.00 H new ATOM 0 HA TYR A 69 8.496 10.433 1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.735 8.529 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.952 9.430 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.657 8.853 4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.906 6.250 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.058 6.846 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.306 4.250 2.576 1.00 0.00 H new ATOM 0 HH TYR A 69 10.055 3.965 5.282 1.00 0.00 H new ATOM 973 N TYR A 70 6.609 9.226 2.381 1.00 0.00 N ATOM 974 CA TYR A 70 5.450 8.519 2.899 1.00 0.00 C ATOM 975 C TYR A 70 5.344 7.120 2.288 1.00 0.00 C ATOM 976 O TYR A 70 5.712 6.914 1.132 1.00 0.00 O ATOM 977 CB TYR A 70 4.231 9.341 2.476 1.00 0.00 C ATOM 978 CG TYR A 70 3.882 9.219 0.991 1.00 0.00 C ATOM 979 CD1 TYR A 70 3.298 8.064 0.511 1.00 0.00 C ATOM 980 CD2 TYR A 70 4.153 10.263 0.130 1.00 0.00 C ATOM 981 CE1 TYR A 70 2.971 7.949 -0.886 1.00 0.00 C ATOM 982 CE2 TYR A 70 3.825 10.149 -1.267 1.00 0.00 C ATOM 983 CZ TYR A 70 3.250 8.998 -1.706 1.00 0.00 C ATOM 984 OH TYR A 70 2.940 8.889 -3.026 1.00 0.00 O ATOM 0 H TYR A 70 6.408 9.874 1.619 1.00 0.00 H new ATOM 0 HA TYR A 70 5.522 8.404 3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.371 9.027 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.414 10.390 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.086 7.246 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.612 11.166 0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.515 7.050 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.031 10.959 -1.951 1.00 0.00 H new ATOM 993 N GLU A 71 4.840 6.196 3.090 1.00 0.00 N ATOM 994 CA GLU A 71 4.681 4.822 2.643 1.00 0.00 C ATOM 995 C GLU A 71 3.476 4.176 3.331 1.00 0.00 C ATOM 996 O GLU A 71 2.918 4.739 4.271 1.00 0.00 O ATOM 997 CB GLU A 71 5.954 4.012 2.894 1.00 0.00 C ATOM 998 CG GLU A 71 6.159 3.761 4.389 1.00 0.00 C ATOM 999 CD GLU A 71 7.445 2.971 4.641 1.00 0.00 C ATOM 1000 OE1 GLU A 71 7.607 1.863 4.108 1.00 0.00 O ATOM 1001 OE2 GLU A 71 8.295 3.548 5.421 1.00 0.00 O ATOM 0 H GLU A 71 4.536 6.371 4.048 1.00 0.00 H new ATOM 0 HA GLU A 71 4.501 4.829 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.893 3.060 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.814 4.546 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.203 4.713 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.307 3.212 4.790 1.00 0.00 H new ATOM 1007 N ILE A 72 3.111 3.002 2.836 1.00 0.00 N ATOM 1008 CA ILE A 72 1.983 2.274 3.391 1.00 0.00 C ATOM 1009 C ILE A 72 2.287 0.774 3.362 1.00 0.00 C ATOM 1010 O ILE A 72 3.126 0.322 2.584 1.00 0.00 O ATOM 1011 CB ILE A 72 0.691 2.654 2.666 1.00 0.00 C ATOM 1012 CG1 ILE A 72 -0.064 3.744 3.429 1.00 0.00 C ATOM 1013 CG2 ILE A 72 -0.181 1.422 2.416 1.00 0.00 C ATOM 1014 CD1 ILE A 72 -0.336 3.316 4.873 1.00 0.00 C ATOM 0 H ILE A 72 3.577 2.537 2.057 1.00 0.00 H new ATOM 0 HA ILE A 72 1.828 2.549 4.434 1.00 0.00 H new ATOM 0 HB ILE A 72 0.954 3.065 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.517 4.666 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.007 3.958 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.093 1.721 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.367 0.707 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.439 0.959 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.874 4.109 5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.938 2.407 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.610 3.126 5.381 1.00 0.00 H new ATOM 1025 N VAL A 73 1.587 0.045 4.218 1.00 0.00 N ATOM 1026 CA VAL A 73 1.771 -1.394 4.301 1.00 0.00 C ATOM 1027 C VAL A 73 0.435 -2.091 4.035 1.00 0.00 C ATOM 1028 O VAL A 73 -0.626 -1.489 4.197 1.00 0.00 O ATOM 1029 CB VAL A 73 2.381 -1.768 5.653 1.00 0.00 C ATOM 1030 CG1 VAL A 73 3.902 -1.902 5.550 1.00 0.00 C ATOM 1031 CG2 VAL A 73 1.991 -0.752 6.729 1.00 0.00 C ATOM 0 H VAL A 73 0.891 0.424 4.860 1.00 0.00 H new ATOM 0 HA VAL A 73 2.473 -1.733 3.539 1.00 0.00 H new ATOM 0 HB VAL A 73 1.979 -2.738 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.311 -2.168 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.151 -2.679 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.330 -0.954 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.437 -1.041 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.352 0.236 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.906 -0.727 6.830 1.00 0.00 H new ATOM 1041 N MET A 74 0.529 -3.349 3.631 1.00 0.00 N ATOM 1042 CA MET A 74 -0.658 -4.134 3.341 1.00 0.00 C ATOM 1043 C MET A 74 -0.405 -5.623 3.583 1.00 0.00 C ATOM 1044 O MET A 74 0.650 -6.143 3.225 1.00 0.00 O ATOM 1045 CB MET A 74 -1.071 -3.916 1.884 1.00 0.00 C ATOM 1046 CG MET A 74 -0.476 -2.619 1.333 1.00 0.00 C ATOM 1047 SD MET A 74 -0.858 -2.461 -0.403 1.00 0.00 S ATOM 1048 CE MET A 74 0.572 -3.263 -1.109 1.00 0.00 C ATOM 0 H MET A 74 1.410 -3.845 3.498 1.00 0.00 H new ATOM 0 HA MET A 74 -1.457 -3.808 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.738 -4.759 1.278 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.158 -3.881 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.875 -1.765 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.604 -2.615 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.521 -3.206 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.477 -2.765 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.592 -4.308 -0.801 1.00 0.00 H new ATOM 1056 N LYS A 75 -1.391 -6.268 4.189 1.00 0.00 N ATOM 1057 CA LYS A 75 -1.288 -7.687 4.484 1.00 0.00 C ATOM 1058 C LYS A 75 -2.071 -8.479 3.435 1.00 0.00 C ATOM 1059 O LYS A 75 -3.294 -8.582 3.516 1.00 0.00 O ATOM 1060 CB LYS A 75 -1.726 -7.969 5.922 1.00 0.00 C ATOM 1061 CG LYS A 75 -1.491 -9.435 6.289 1.00 0.00 C ATOM 1062 CD LYS A 75 -1.443 -9.620 7.808 1.00 0.00 C ATOM 1063 CE LYS A 75 -2.657 -10.409 8.302 1.00 0.00 C ATOM 1064 NZ LYS A 75 -2.224 -11.581 9.097 1.00 0.00 N ATOM 0 H LYS A 75 -2.266 -5.834 4.484 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.250 -8.015 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.173 -7.326 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.782 -7.726 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.287 -10.051 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.555 -9.779 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.528 -10.142 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.415 -8.646 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.294 -9.766 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.254 -10.739 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.060 -12.106 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.635 -12.202 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.673 -11.259 9.918 1.00 0.00 H new ATOM 1073 N LYS A 76 -1.334 -9.017 2.475 1.00 0.00 N ATOM 1074 CA LYS A 76 -1.944 -9.797 1.411 1.00 0.00 C ATOM 1075 C LYS A 76 -3.004 -10.725 2.009 1.00 0.00 C ATOM 1076 O LYS A 76 -2.676 -11.651 2.750 1.00 0.00 O ATOM 1077 CB LYS A 76 -0.873 -10.528 0.600 1.00 0.00 C ATOM 1078 CG LYS A 76 0.407 -9.694 0.504 1.00 0.00 C ATOM 1079 CD LYS A 76 0.281 -8.621 -0.579 1.00 0.00 C ATOM 1080 CE LYS A 76 1.523 -7.728 -0.612 1.00 0.00 C ATOM 1081 NZ LYS A 76 2.045 -7.618 -1.993 1.00 0.00 N ATOM 0 H LYS A 76 -0.320 -8.928 2.411 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.454 -9.143 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.651 -11.488 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.250 -10.738 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.612 -9.223 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.253 -10.344 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.143 -9.095 -1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.604 -8.013 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.276 -6.737 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.292 -8.140 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.019 -7.980 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.447 -8.176 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.036 -6.621 -2.289 1.00 0.00 H new ATOM 1090 N VAL A 77 -4.252 -10.446 1.664 1.00 0.00 N ATOM 1091 CA VAL A 77 -5.361 -11.245 2.157 1.00 0.00 C ATOM 1092 C VAL A 77 -6.220 -11.700 0.976 1.00 0.00 C ATOM 1093 O VAL A 77 -7.274 -12.305 1.167 1.00 0.00 O ATOM 1094 CB VAL A 77 -6.151 -10.454 3.202 1.00 0.00 C ATOM 1095 CG1 VAL A 77 -5.383 -10.374 4.524 1.00 0.00 C ATOM 1096 CG2 VAL A 77 -6.501 -9.059 2.684 1.00 0.00 C ATOM 0 H VAL A 77 -4.520 -9.678 1.049 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.994 -12.142 2.656 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.085 -10.984 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.966 -9.807 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.209 -11.380 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.426 -9.878 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.062 -8.518 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.584 -8.516 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.106 -9.147 1.782 1.00 0.00 H new ATOM 1106 N LYS A 78 -5.740 -11.391 -0.219 1.00 0.00 N ATOM 1107 CA LYS A 78 -6.451 -11.760 -1.431 1.00 0.00 C ATOM 1108 C LYS A 78 -7.130 -13.116 -1.225 1.00 0.00 C ATOM 1109 O LYS A 78 -8.025 -13.486 -1.983 1.00 0.00 O ATOM 1110 CB LYS A 78 -5.511 -11.719 -2.638 1.00 0.00 C ATOM 1111 CG LYS A 78 -4.635 -10.465 -2.608 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.187 -10.816 -2.266 1.00 0.00 C ATOM 1113 CE LYS A 78 -2.427 -11.281 -3.511 1.00 0.00 C ATOM 1114 NZ LYS A 78 -2.804 -10.461 -4.684 1.00 0.00 N ATOM 0 H LYS A 78 -4.866 -10.888 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.239 -11.038 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.880 -12.608 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.094 -11.738 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.673 -9.967 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.026 -9.762 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.690 -9.946 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.168 -11.601 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.353 -11.207 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.646 -12.330 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.053 -10.516 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.694 -10.819 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.930 -9.471 -4.390 1.00 0.00 H new TER 1123 LYS A 78