USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 78 GLN : amide:sc= -21! C(o=-26!,f=-37!) USER MOD Set 1.2: A 126 MET CE :methyl 162:sc= -4.47! (180deg=-5.76!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -149:sc= 0.309 (180deg=0) USER MOD Set 2.2: A 71 TYR OH : rot 30:sc= 0.235 USER MOD Set 3.1: A 45 CYS SG : rot 86:sc= -4.92! USER MOD Set 3.2: A 48 HIS : no HD1:sc= -3.76! C(o=-8.7!,f=-22!) USER MOD Set 4.1: A 42 HIS : no HD1:sc= -7.66! C(o=-32!,f=-31!) USER MOD Set 4.2: A 123 HIS : no HE2:sc= -23.9! C(o=-32!,f=-32!) USER MOD Set 5.1: A 29 SER OG : rot -135:sc= -0.831 USER MOD Set 5.2: A 32 LYS NZ :NH3+ -157:sc= -0.819 (180deg=-0.0612) USER MOD Single : A 36 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.67) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.567 (180deg=-0.596) USER MOD Single : A 52 MET CE :methyl -172:sc= -13.6! (180deg=-14.1!) USER MOD Single : A 55 MET CE :methyl -158:sc= -8.72! (180deg=-10.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.128 USER MOD Single : A 62 MET CE :methyl 161:sc= -2.6! (180deg=-4.24!) USER MOD Single : A 65 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.9!) USER MOD Single : A 70 GLN : amide:sc= -5.32! C(o=-5.3!,f=-2.9!) USER MOD Single : A 72 SER OG : rot -112:sc= 2.13 USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.283) USER MOD Single : A 85 MET CE :methyl 165:sc=-0.00984 (180deg=-0.381) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.695 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 170:sc= -0.639 (180deg=-0.727) USER MOD Single : A 95 GLN : amide:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 106 MET CE :methyl 167:sc= -3.22! (180deg=-3.63!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 40:sc= -1.67! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 179:sc= -0.108 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 90.581 -15.122 16.142 1.00 0.00 N ATOM 2 CA GLY A 28 91.450 -14.787 14.979 1.00 0.00 C ATOM 3 C GLY A 28 91.089 -15.688 13.796 1.00 0.00 C ATOM 4 O GLY A 28 91.274 -16.888 13.839 1.00 0.00 O ATOM 0 HA2 GLY A 28 91.321 -13.740 14.705 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.499 -14.920 15.245 1.00 0.00 H new ATOM 10 N SER A 29 90.577 -15.118 12.741 1.00 0.00 N ATOM 11 CA SER A 29 90.204 -15.941 11.555 1.00 0.00 C ATOM 12 C SER A 29 91.220 -15.734 10.428 1.00 0.00 C ATOM 13 O SER A 29 91.376 -14.644 9.913 1.00 0.00 O ATOM 14 CB SER A 29 88.825 -15.429 11.137 1.00 0.00 C ATOM 15 OG SER A 29 88.435 -16.056 9.924 1.00 0.00 O ATOM 0 H SER A 29 90.400 -14.118 12.648 1.00 0.00 H new ATOM 0 HA SER A 29 90.192 -17.008 11.778 1.00 0.00 H new ATOM 0 HB2 SER A 29 88.095 -15.639 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 29 88.851 -14.347 11.008 1.00 0.00 H new ATOM 0 HG SER A 29 88.064 -15.385 9.313 1.00 0.00 H new ATOM 21 N GLY A 30 91.912 -16.770 10.041 1.00 0.00 N ATOM 22 CA GLY A 30 92.916 -16.629 8.949 1.00 0.00 C ATOM 23 C GLY A 30 92.619 -17.645 7.842 1.00 0.00 C ATOM 24 O GLY A 30 91.951 -17.328 6.878 1.00 0.00 O ATOM 0 H GLY A 30 91.826 -17.708 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 30 92.888 -15.617 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 30 93.920 -16.788 9.342 1.00 0.00 H new ATOM 28 N PRO A 31 93.129 -18.840 8.011 1.00 0.00 N ATOM 29 CA PRO A 31 92.918 -19.912 7.009 1.00 0.00 C ATOM 30 C PRO A 31 91.426 -20.230 6.860 1.00 0.00 C ATOM 31 O PRO A 31 90.664 -20.137 7.802 1.00 0.00 O ATOM 32 CB PRO A 31 93.674 -21.097 7.616 1.00 0.00 C ATOM 33 CG PRO A 31 94.293 -20.655 8.957 1.00 0.00 C ATOM 34 CD PRO A 31 93.940 -19.183 9.205 1.00 0.00 C ATOM 0 HA PRO A 31 93.264 -19.647 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 31 92.997 -21.937 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 31 94.453 -21.437 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 31 93.915 -21.275 9.770 1.00 0.00 H new ATOM 0 HG3 PRO A 31 95.375 -20.785 8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 31 93.377 -19.051 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 31 94.831 -18.560 9.283 1.00 0.00 H new ATOM 42 N LYS A 32 91.007 -20.608 5.683 1.00 0.00 N ATOM 43 CA LYS A 32 89.568 -20.935 5.471 1.00 0.00 C ATOM 44 C LYS A 32 89.345 -21.417 4.034 1.00 0.00 C ATOM 45 O LYS A 32 90.162 -21.196 3.161 1.00 0.00 O ATOM 46 CB LYS A 32 88.820 -19.627 5.723 1.00 0.00 C ATOM 47 CG LYS A 32 87.543 -19.916 6.515 1.00 0.00 C ATOM 48 CD LYS A 32 86.633 -18.686 6.484 1.00 0.00 C ATOM 49 CE LYS A 32 85.952 -18.520 7.845 1.00 0.00 C ATOM 50 NZ LYS A 32 86.980 -17.876 8.711 1.00 0.00 N ATOM 0 H LYS A 32 91.600 -20.705 4.858 1.00 0.00 H new ATOM 0 HA LYS A 32 89.223 -21.731 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.454 -18.933 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.573 -19.148 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 32 87.025 -20.775 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 32 87.791 -20.172 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 32 87.215 -17.796 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 32 85.883 -18.795 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 32 85.058 -17.902 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 32 85.640 -19.482 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 86.766 -18.074 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 87.919 -18.256 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 86.973 -16.848 8.553 1.00 0.00 H new ATOM 64 N GLY A 33 88.247 -22.075 3.782 1.00 0.00 N ATOM 65 CA GLY A 33 87.974 -22.572 2.403 1.00 0.00 C ATOM 66 C GLY A 33 87.246 -21.491 1.602 1.00 0.00 C ATOM 67 O GLY A 33 86.422 -20.767 2.124 1.00 0.00 O ATOM 0 H GLY A 33 87.527 -22.290 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 33 88.909 -22.837 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 33 87.368 -23.477 2.445 1.00 0.00 H new ATOM 71 N GLY A 34 87.544 -21.376 0.336 1.00 0.00 N ATOM 72 CA GLY A 34 86.869 -20.343 -0.498 1.00 0.00 C ATOM 73 C GLY A 34 87.571 -18.997 -0.312 1.00 0.00 C ATOM 74 O GLY A 34 88.752 -18.935 -0.037 1.00 0.00 O ATOM 0 H GLY A 34 88.226 -21.953 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 34 86.893 -20.636 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 34 85.820 -20.260 -0.214 1.00 0.00 H new ATOM 78 N GLY A 35 86.853 -17.916 -0.457 1.00 0.00 N ATOM 79 CA GLY A 35 87.480 -16.576 -0.286 1.00 0.00 C ATOM 80 C GLY A 35 86.603 -15.715 0.626 1.00 0.00 C ATOM 81 O GLY A 35 87.091 -15.029 1.503 1.00 0.00 O ATOM 0 H GLY A 35 85.859 -17.904 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 88.476 -16.681 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.600 -16.092 -1.255 1.00 0.00 H new ATOM 85 N ASN A 36 85.314 -15.744 0.426 1.00 0.00 N ATOM 86 CA ASN A 36 84.410 -14.926 1.285 1.00 0.00 C ATOM 87 C ASN A 36 84.835 -13.457 1.250 1.00 0.00 C ATOM 88 O ASN A 36 84.460 -12.671 2.097 1.00 0.00 O ATOM 89 CB ASN A 36 84.582 -15.493 2.691 1.00 0.00 C ATOM 90 CG ASN A 36 83.844 -16.828 2.799 1.00 0.00 C ATOM 91 OD1 ASN A 36 82.728 -16.958 2.336 1.00 0.00 O ATOM 92 ND2 ASN A 36 84.423 -17.833 3.397 1.00 0.00 N ATOM 0 H ASN A 36 84.848 -16.297 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 36 83.374 -14.968 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.640 -15.632 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 36 84.193 -14.790 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 36 83.939 -18.727 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 36 85.360 -17.724 3.786 1.00 0.00 H new ATOM 99 N ALA A 37 85.615 -13.082 0.277 1.00 0.00 N ATOM 100 CA ALA A 37 86.068 -11.669 0.180 1.00 0.00 C ATOM 101 C ALA A 37 85.274 -10.945 -0.906 1.00 0.00 C ATOM 102 O ALA A 37 84.839 -11.542 -1.865 1.00 0.00 O ATOM 103 CB ALA A 37 87.547 -11.751 -0.197 1.00 0.00 C ATOM 0 H ALA A 37 85.960 -13.698 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 37 85.919 -11.118 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.956 -10.745 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 37 88.090 -12.295 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.652 -12.272 -1.148 1.00 0.00 H new ATOM 109 N VAL A 38 85.083 -9.667 -0.749 1.00 0.00 N ATOM 110 CA VAL A 38 84.316 -8.871 -1.757 1.00 0.00 C ATOM 111 C VAL A 38 84.863 -7.440 -1.743 1.00 0.00 C ATOM 112 O VAL A 38 85.337 -6.989 -0.716 1.00 0.00 O ATOM 113 CB VAL A 38 82.843 -8.908 -1.283 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.535 -10.247 -0.600 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.572 -7.772 -0.290 1.00 0.00 C ATOM 0 H VAL A 38 85.429 -9.128 0.045 1.00 0.00 H new ATOM 0 HA VAL A 38 84.400 -9.259 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 38 82.204 -8.788 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.495 -10.258 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.702 -11.062 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.189 -10.374 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.532 -7.812 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.226 -7.881 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.765 -6.814 -0.772 1.00 0.00 H new ATOM 125 N LYS A 39 84.830 -6.699 -2.828 1.00 0.00 N ATOM 126 CA LYS A 39 85.386 -5.327 -2.716 1.00 0.00 C ATOM 127 C LYS A 39 84.284 -4.367 -2.272 1.00 0.00 C ATOM 128 O LYS A 39 83.578 -3.793 -3.073 1.00 0.00 O ATOM 129 CB LYS A 39 85.862 -4.984 -4.115 1.00 0.00 C ATOM 130 CG LYS A 39 86.766 -3.751 -4.062 1.00 0.00 C ATOM 131 CD LYS A 39 87.815 -3.941 -2.964 1.00 0.00 C ATOM 132 CE LYS A 39 89.164 -3.404 -3.440 1.00 0.00 C ATOM 133 NZ LYS A 39 89.194 -1.987 -2.981 1.00 0.00 N ATOM 0 H LYS A 39 84.461 -6.972 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 39 86.193 -5.255 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.405 -5.827 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.007 -4.793 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.254 -3.602 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.172 -2.859 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.505 -3.420 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.903 -4.997 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.989 -3.975 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.256 -3.471 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.091 -1.547 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.401 -1.467 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.111 -1.956 -1.945 1.00 0.00 H new ATOM 147 N VAL A 40 84.127 -4.201 -0.988 1.00 0.00 N ATOM 148 CA VAL A 40 83.057 -3.302 -0.476 1.00 0.00 C ATOM 149 C VAL A 40 83.600 -1.909 -0.152 1.00 0.00 C ATOM 150 O VAL A 40 84.709 -1.751 0.318 1.00 0.00 O ATOM 151 CB VAL A 40 82.549 -3.982 0.796 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.573 -3.801 1.919 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.218 -3.352 1.212 1.00 0.00 C ATOM 0 H VAL A 40 84.695 -4.651 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 40 82.271 -3.156 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 40 82.406 -5.046 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.209 -4.286 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.521 -4.250 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.719 -2.738 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 80.854 -3.835 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.362 -2.288 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.488 -3.483 0.413 1.00 0.00 H new ATOM 163 N ARG A 41 82.803 -0.904 -0.385 1.00 0.00 N ATOM 164 CA ARG A 41 83.231 0.489 -0.079 1.00 0.00 C ATOM 165 C ARG A 41 82.188 1.133 0.841 1.00 0.00 C ATOM 166 O ARG A 41 81.065 1.376 0.445 1.00 0.00 O ATOM 167 CB ARG A 41 83.285 1.196 -1.434 1.00 0.00 C ATOM 168 CG ARG A 41 84.137 0.373 -2.408 1.00 0.00 C ATOM 169 CD ARG A 41 83.766 0.742 -3.846 1.00 0.00 C ATOM 170 NE ARG A 41 85.057 0.763 -4.587 1.00 0.00 N ATOM 171 CZ ARG A 41 85.075 0.496 -5.866 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.036 0.776 -6.605 1.00 0.00 N ATOM 173 NH2 ARG A 41 86.130 -0.050 -6.404 1.00 0.00 N ATOM 0 H ARG A 41 81.865 -0.989 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 41 84.194 0.544 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.278 1.320 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.708 2.194 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.196 0.565 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.974 -0.692 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.077 0.014 -4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.271 1.712 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 41 85.924 0.985 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 41 83.211 1.203 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 41 84.049 0.568 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 41 86.942 -0.269 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 41 86.143 -0.258 -7.402 1.00 0.00 H new ATOM 187 N HIS A 42 82.540 1.379 2.074 1.00 0.00 N ATOM 188 CA HIS A 42 81.555 1.971 3.027 1.00 0.00 C ATOM 189 C HIS A 42 81.601 3.501 3.008 1.00 0.00 C ATOM 190 O HIS A 42 82.640 4.105 3.189 1.00 0.00 O ATOM 191 CB HIS A 42 81.987 1.447 4.396 1.00 0.00 C ATOM 192 CG HIS A 42 82.007 -0.057 4.373 1.00 0.00 C ATOM 193 ND1 HIS A 42 80.917 -0.806 3.958 1.00 0.00 N ATOM 194 CD2 HIS A 42 82.980 -0.966 4.711 1.00 0.00 C ATOM 195 CE1 HIS A 42 81.256 -2.104 4.056 1.00 0.00 C ATOM 196 NE2 HIS A 42 82.503 -2.258 4.509 1.00 0.00 N ATOM 0 H HIS A 42 83.465 1.196 2.463 1.00 0.00 H new ATOM 0 HA HIS A 42 80.532 1.697 2.769 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.975 1.831 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.301 1.801 5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 42 83.965 -0.716 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 42 80.600 -2.922 3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 42 82.999 -3.134 4.672 1.00 0.00 H new ATOM 204 N ILE A 43 80.475 4.132 2.798 1.00 0.00 N ATOM 205 CA ILE A 43 80.450 5.625 2.777 1.00 0.00 C ATOM 206 C ILE A 43 79.427 6.173 3.798 1.00 0.00 C ATOM 207 O ILE A 43 78.233 6.087 3.595 1.00 0.00 O ATOM 208 CB ILE A 43 80.043 5.990 1.341 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.289 6.023 0.454 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.374 7.366 1.313 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.867 6.016 -1.017 1.00 0.00 C ATOM 0 H ILE A 43 79.574 3.680 2.641 1.00 0.00 H new ATOM 0 HA ILE A 43 81.413 6.056 3.052 1.00 0.00 H new ATOM 0 HB ILE A 43 79.340 5.242 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.879 6.914 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.923 5.162 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.091 7.612 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.484 7.351 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.070 8.117 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.754 6.040 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.295 5.112 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.251 6.891 -1.223 1.00 0.00 H new ATOM 223 N LEU A 44 79.895 6.748 4.882 1.00 0.00 N ATOM 224 CA LEU A 44 78.965 7.312 5.915 1.00 0.00 C ATOM 225 C LEU A 44 78.631 8.757 5.618 1.00 0.00 C ATOM 226 O LEU A 44 79.483 9.622 5.682 1.00 0.00 O ATOM 227 CB LEU A 44 79.741 7.336 7.227 1.00 0.00 C ATOM 228 CG LEU A 44 79.893 5.946 7.788 1.00 0.00 C ATOM 229 CD1 LEU A 44 80.617 6.030 9.136 1.00 0.00 C ATOM 230 CD2 LEU A 44 78.515 5.323 7.992 1.00 0.00 C ATOM 0 H LEU A 44 80.887 6.851 5.097 1.00 0.00 H new ATOM 0 HA LEU A 44 78.054 6.715 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 80.725 7.776 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.224 7.969 7.948 1.00 0.00 H new ATOM 0 HG LEU A 44 80.467 5.331 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 80.732 5.028 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 81.600 6.479 8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 44 80.035 6.643 9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 44 78.627 4.318 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 44 77.939 5.933 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 44 77.993 5.273 7.036 1.00 0.00 H new ATOM 242 N CYS A 45 77.400 9.050 5.374 1.00 0.00 N ATOM 243 CA CYS A 45 77.036 10.466 5.152 1.00 0.00 C ATOM 244 C CYS A 45 77.639 11.301 6.290 1.00 0.00 C ATOM 245 O CYS A 45 77.839 12.492 6.165 1.00 0.00 O ATOM 246 CB CYS A 45 75.513 10.489 5.203 1.00 0.00 C ATOM 247 SG CYS A 45 74.953 9.639 6.701 1.00 0.00 S ATOM 0 H CYS A 45 76.633 8.380 5.318 1.00 0.00 H new ATOM 0 HA CYS A 45 77.403 10.872 4.209 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.153 11.518 5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.100 10.003 4.319 1.00 0.00 H new ATOM 0 HG CYS A 45 74.931 10.478 7.694 1.00 0.00 H new ATOM 253 N GLU A 46 77.933 10.669 7.403 1.00 0.00 N ATOM 254 CA GLU A 46 78.528 11.396 8.562 1.00 0.00 C ATOM 255 C GLU A 46 77.509 12.361 9.164 1.00 0.00 C ATOM 256 O GLU A 46 77.216 12.320 10.343 1.00 0.00 O ATOM 257 CB GLU A 46 79.721 12.161 7.987 1.00 0.00 C ATOM 258 CG GLU A 46 80.685 12.527 9.117 1.00 0.00 C ATOM 259 CD GLU A 46 81.505 11.296 9.508 1.00 0.00 C ATOM 260 OE1 GLU A 46 82.130 10.722 8.631 1.00 0.00 O ATOM 261 OE2 GLU A 46 81.493 10.947 10.678 1.00 0.00 O ATOM 0 H GLU A 46 77.783 9.672 7.555 1.00 0.00 H new ATOM 0 HA GLU A 46 78.829 10.718 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 46 80.232 11.552 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 46 79.378 13.063 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 46 81.347 13.332 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 46 80.129 12.895 9.979 1.00 0.00 H new ATOM 268 N LYS A 47 76.968 13.227 8.361 1.00 0.00 N ATOM 269 CA LYS A 47 75.965 14.199 8.873 1.00 0.00 C ATOM 270 C LYS A 47 74.576 13.840 8.346 1.00 0.00 C ATOM 271 O LYS A 47 73.612 14.541 8.581 1.00 0.00 O ATOM 272 CB LYS A 47 76.410 15.552 8.320 1.00 0.00 C ATOM 273 CG LYS A 47 77.873 15.801 8.692 1.00 0.00 C ATOM 274 CD LYS A 47 78.158 17.302 8.655 1.00 0.00 C ATOM 275 CE LYS A 47 79.557 17.541 8.086 1.00 0.00 C ATOM 276 NZ LYS A 47 80.278 18.299 9.148 1.00 0.00 N ATOM 0 H LYS A 47 77.177 13.305 7.366 1.00 0.00 H new ATOM 0 HA LYS A 47 75.906 14.202 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.291 15.571 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.781 16.346 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 47 78.079 15.405 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 78.530 15.278 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.413 17.810 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.085 17.722 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.059 16.600 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.514 18.108 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.248 18.502 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.781 19.193 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.309 17.732 10.019 1.00 0.00 H new ATOM 290 N HIS A 48 74.466 12.751 7.632 1.00 0.00 N ATOM 291 CA HIS A 48 73.140 12.348 7.090 1.00 0.00 C ATOM 292 C HIS A 48 72.555 13.471 6.232 1.00 0.00 C ATOM 293 O HIS A 48 71.385 13.480 5.905 1.00 0.00 O ATOM 294 CB HIS A 48 72.291 12.076 8.325 1.00 0.00 C ATOM 295 CG HIS A 48 72.841 10.859 9.023 1.00 0.00 C ATOM 296 ND1 HIS A 48 74.160 10.784 9.454 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.274 9.652 9.346 1.00 0.00 C ATOM 298 CE1 HIS A 48 74.341 9.566 10.001 1.00 0.00 C ATOM 299 NE2 HIS A 48 73.221 8.839 9.964 1.00 0.00 N ATOM 0 H HIS A 48 75.238 12.125 7.402 1.00 0.00 H new ATOM 0 HA HIS A 48 73.192 11.474 6.441 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.308 12.937 8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.251 11.913 8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.249 9.374 9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 48 75.276 9.220 10.418 1.00 0.00 H new ATOM 0 HE2 HIS A 48 73.088 7.890 10.314 1.00 0.00 H new ATOM 307 N GLY A 49 73.377 14.406 5.847 1.00 0.00 N ATOM 308 CA GLY A 49 72.905 15.524 4.982 1.00 0.00 C ATOM 309 C GLY A 49 73.534 15.360 3.595 1.00 0.00 C ATOM 310 O GLY A 49 73.210 16.065 2.660 1.00 0.00 O ATOM 0 H GLY A 49 74.365 14.444 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.817 15.514 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.187 16.484 5.415 1.00 0.00 H new ATOM 314 N LYS A 50 74.429 14.415 3.462 1.00 0.00 N ATOM 315 CA LYS A 50 75.091 14.163 2.155 1.00 0.00 C ATOM 316 C LYS A 50 74.860 12.717 1.755 1.00 0.00 C ATOM 317 O LYS A 50 75.182 12.312 0.658 1.00 0.00 O ATOM 318 CB LYS A 50 76.578 14.439 2.394 1.00 0.00 C ATOM 319 CG LYS A 50 77.011 13.832 3.735 1.00 0.00 C ATOM 320 CD LYS A 50 76.838 14.859 4.860 1.00 0.00 C ATOM 321 CE LYS A 50 77.509 16.179 4.469 1.00 0.00 C ATOM 322 NZ LYS A 50 76.381 17.119 4.210 1.00 0.00 N ATOM 0 H LYS A 50 74.731 13.800 4.218 1.00 0.00 H new ATOM 0 HA LYS A 50 74.702 14.790 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.171 14.014 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.762 15.513 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.417 12.943 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.052 13.514 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 75.778 15.023 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.276 14.478 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.154 16.546 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.134 16.058 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 76.759 18.053 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 75.798 16.755 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 75.798 17.206 5.067 1.00 0.00 H new ATOM 336 N ILE A 51 74.284 11.934 2.627 1.00 0.00 N ATOM 337 CA ILE A 51 74.017 10.520 2.263 1.00 0.00 C ATOM 338 C ILE A 51 73.413 10.491 0.860 1.00 0.00 C ATOM 339 O ILE A 51 73.602 9.554 0.111 1.00 0.00 O ATOM 340 CB ILE A 51 73.022 10.004 3.308 1.00 0.00 C ATOM 341 CG1 ILE A 51 72.952 8.481 3.233 1.00 0.00 C ATOM 342 CG2 ILE A 51 71.636 10.579 3.040 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.274 7.880 3.718 1.00 0.00 C ATOM 0 H ILE A 51 73.991 12.211 3.564 1.00 0.00 H new ATOM 0 HA ILE A 51 74.914 9.901 2.254 1.00 0.00 H new ATOM 0 HB ILE A 51 73.356 10.314 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.128 8.114 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 51 72.752 8.166 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 51 70.936 10.206 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 51 71.677 11.667 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.302 10.276 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.221 6.793 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.089 8.236 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.455 8.183 4.749 1.00 0.00 H new ATOM 355 N MET A 52 72.716 11.536 0.488 1.00 0.00 N ATOM 356 CA MET A 52 72.136 11.584 -0.880 1.00 0.00 C ATOM 357 C MET A 52 73.139 12.234 -1.819 1.00 0.00 C ATOM 358 O MET A 52 73.222 11.903 -2.985 1.00 0.00 O ATOM 359 CB MET A 52 70.827 12.409 -0.834 1.00 0.00 C ATOM 360 CG MET A 52 70.328 12.655 0.601 1.00 0.00 C ATOM 361 SD MET A 52 70.561 14.399 1.062 1.00 0.00 S ATOM 362 CE MET A 52 72.251 14.637 0.449 1.00 0.00 C ATOM 0 H MET A 52 72.527 12.351 1.072 1.00 0.00 H new ATOM 0 HA MET A 52 71.915 10.579 -1.240 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.989 13.368 -1.327 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.054 11.887 -1.398 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.273 12.390 0.677 1.00 0.00 H new ATOM 0 HG3 MET A 52 70.869 12.013 1.296 1.00 0.00 H new ATOM 0 HE1 MET A 52 72.621 15.611 0.770 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.896 13.854 0.848 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.253 14.589 -0.640 1.00 0.00 H new ATOM 372 N GLU A 53 73.942 13.116 -1.307 1.00 0.00 N ATOM 373 CA GLU A 53 74.978 13.731 -2.155 1.00 0.00 C ATOM 374 C GLU A 53 75.968 12.627 -2.426 1.00 0.00 C ATOM 375 O GLU A 53 76.582 12.551 -3.464 1.00 0.00 O ATOM 376 CB GLU A 53 75.603 14.852 -1.322 1.00 0.00 C ATOM 377 CG GLU A 53 75.488 16.175 -2.080 1.00 0.00 C ATOM 378 CD GLU A 53 76.062 17.305 -1.223 1.00 0.00 C ATOM 379 OE1 GLU A 53 75.922 17.235 -0.014 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.632 18.222 -1.792 1.00 0.00 O ATOM 0 H GLU A 53 73.922 13.435 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 53 74.616 14.148 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.099 14.928 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.650 14.627 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.026 16.112 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.445 16.380 -2.319 1.00 0.00 H new ATOM 387 N ALA A 54 76.074 11.724 -1.490 1.00 0.00 N ATOM 388 CA ALA A 54 76.978 10.565 -1.682 1.00 0.00 C ATOM 389 C ALA A 54 76.312 9.633 -2.688 1.00 0.00 C ATOM 390 O ALA A 54 76.958 8.977 -3.479 1.00 0.00 O ATOM 391 CB ALA A 54 77.086 9.903 -0.309 1.00 0.00 C ATOM 0 H ALA A 54 75.572 11.742 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 54 77.967 10.831 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.742 9.035 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.497 10.615 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.097 9.587 0.021 1.00 0.00 H new ATOM 397 N MET A 55 75.005 9.605 -2.668 1.00 0.00 N ATOM 398 CA MET A 55 74.253 8.751 -3.628 1.00 0.00 C ATOM 399 C MET A 55 74.379 9.326 -5.040 1.00 0.00 C ATOM 400 O MET A 55 74.592 8.611 -5.996 1.00 0.00 O ATOM 401 CB MET A 55 72.795 8.825 -3.171 1.00 0.00 C ATOM 402 CG MET A 55 72.601 8.008 -1.894 1.00 0.00 C ATOM 403 SD MET A 55 71.459 6.643 -2.227 1.00 0.00 S ATOM 404 CE MET A 55 70.913 6.380 -0.522 1.00 0.00 C ATOM 0 H MET A 55 74.425 10.141 -2.023 1.00 0.00 H new ATOM 0 HA MET A 55 74.628 7.728 -3.649 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.514 9.863 -2.994 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.140 8.447 -3.956 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.559 7.620 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.207 8.642 -1.099 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.520 5.369 -0.418 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.757 6.513 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.132 7.100 -0.275 1.00 0.00 H new ATOM 414 N GLU A 56 74.233 10.618 -5.173 1.00 0.00 N ATOM 415 CA GLU A 56 74.324 11.254 -6.519 1.00 0.00 C ATOM 416 C GLU A 56 75.776 11.310 -6.999 1.00 0.00 C ATOM 417 O GLU A 56 76.132 10.684 -7.978 1.00 0.00 O ATOM 418 CB GLU A 56 73.771 12.666 -6.324 1.00 0.00 C ATOM 419 CG GLU A 56 72.298 12.697 -6.736 1.00 0.00 C ATOM 420 CD GLU A 56 71.737 14.105 -6.523 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.081 14.711 -5.522 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.975 14.551 -7.364 1.00 0.00 O ATOM 0 H GLU A 56 74.054 11.263 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 56 73.771 10.693 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.875 12.968 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 56 74.342 13.378 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.196 12.408 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.730 11.975 -6.149 1.00 0.00 H new ATOM 429 N LYS A 57 76.612 12.060 -6.330 1.00 0.00 N ATOM 430 CA LYS A 57 78.039 12.162 -6.757 1.00 0.00 C ATOM 431 C LYS A 57 78.544 10.804 -7.253 1.00 0.00 C ATOM 432 O LYS A 57 79.003 10.670 -8.370 1.00 0.00 O ATOM 433 CB LYS A 57 78.797 12.588 -5.499 1.00 0.00 C ATOM 434 CG LYS A 57 79.630 13.833 -5.798 1.00 0.00 C ATOM 435 CD LYS A 57 79.412 14.876 -4.705 1.00 0.00 C ATOM 436 CE LYS A 57 79.750 16.262 -5.252 1.00 0.00 C ATOM 437 NZ LYS A 57 80.126 17.061 -4.052 1.00 0.00 N ATOM 0 H LYS A 57 76.368 12.607 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 57 78.175 12.868 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.094 12.794 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.444 11.778 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.686 13.570 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.350 14.245 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.377 14.850 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.038 14.651 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.569 16.216 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.898 16.702 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 79.868 18.057 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.621 16.696 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.151 16.989 -3.894 1.00 0.00 H new ATOM 451 N LEU A 58 78.460 9.798 -6.428 1.00 0.00 N ATOM 452 CA LEU A 58 78.935 8.445 -6.843 1.00 0.00 C ATOM 453 C LEU A 58 78.179 7.936 -8.081 1.00 0.00 C ATOM 454 O LEU A 58 78.719 7.189 -8.873 1.00 0.00 O ATOM 455 CB LEU A 58 78.641 7.545 -5.644 1.00 0.00 C ATOM 456 CG LEU A 58 79.865 7.494 -4.729 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.762 8.599 -3.677 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.925 6.131 -4.035 1.00 0.00 C ATOM 0 H LEU A 58 78.082 9.853 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 58 79.991 8.460 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.779 7.924 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.386 6.541 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 58 80.768 7.641 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.634 8.563 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.719 9.569 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.859 8.454 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.797 6.093 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 58 79.022 5.984 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.999 5.344 -4.785 1.00 0.00 H new ATOM 470 N LYS A 59 76.936 8.308 -8.255 1.00 0.00 N ATOM 471 CA LYS A 59 76.175 7.812 -9.434 1.00 0.00 C ATOM 472 C LYS A 59 76.341 8.770 -10.622 1.00 0.00 C ATOM 473 O LYS A 59 76.987 8.452 -11.601 1.00 0.00 O ATOM 474 CB LYS A 59 74.723 7.754 -8.932 1.00 0.00 C ATOM 475 CG LYS A 59 73.746 8.259 -9.991 1.00 0.00 C ATOM 476 CD LYS A 59 72.408 7.532 -9.837 1.00 0.00 C ATOM 477 CE LYS A 59 71.448 7.990 -10.937 1.00 0.00 C ATOM 478 NZ LYS A 59 70.506 6.849 -11.123 1.00 0.00 N ATOM 0 H LYS A 59 76.420 8.931 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 59 76.517 6.843 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.471 6.729 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.625 8.355 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.602 9.334 -9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.153 8.088 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.559 6.454 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.980 7.740 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.918 8.897 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.983 8.215 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.815 7.086 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.039 6.002 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 70.007 6.662 -10.230 1.00 0.00 H new ATOM 492 N SER A 60 75.744 9.928 -10.536 1.00 0.00 N ATOM 493 CA SER A 60 75.835 10.927 -11.646 1.00 0.00 C ATOM 494 C SER A 60 77.202 10.860 -12.325 1.00 0.00 C ATOM 495 O SER A 60 77.326 11.063 -13.515 1.00 0.00 O ATOM 496 CB SER A 60 75.637 12.284 -10.973 1.00 0.00 C ATOM 497 OG SER A 60 74.692 12.155 -9.921 1.00 0.00 O ATOM 0 H SER A 60 75.190 10.230 -9.735 1.00 0.00 H new ATOM 0 HA SER A 60 75.094 10.741 -12.423 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.586 12.650 -10.581 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.289 13.016 -11.702 1.00 0.00 H new ATOM 0 HG SER A 60 74.565 13.024 -9.487 1.00 0.00 H new ATOM 503 N GLY A 61 78.227 10.567 -11.578 1.00 0.00 N ATOM 504 CA GLY A 61 79.580 10.476 -12.185 1.00 0.00 C ATOM 505 C GLY A 61 80.465 11.604 -11.654 1.00 0.00 C ATOM 506 O GLY A 61 81.258 12.172 -12.376 1.00 0.00 O ATOM 0 H GLY A 61 78.186 10.387 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.028 9.510 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.506 10.540 -13.271 1.00 0.00 H new ATOM 510 N MET A 62 80.347 11.928 -10.396 1.00 0.00 N ATOM 511 CA MET A 62 81.195 13.008 -9.832 1.00 0.00 C ATOM 512 C MET A 62 82.421 12.392 -9.169 1.00 0.00 C ATOM 513 O MET A 62 82.985 11.431 -9.653 1.00 0.00 O ATOM 514 CB MET A 62 80.317 13.696 -8.794 1.00 0.00 C ATOM 515 CG MET A 62 80.664 15.185 -8.737 1.00 0.00 C ATOM 516 SD MET A 62 79.444 16.128 -9.687 1.00 0.00 S ATOM 517 CE MET A 62 77.967 15.490 -8.858 1.00 0.00 C ATOM 0 H MET A 62 79.701 11.491 -9.738 1.00 0.00 H new ATOM 0 HA MET A 62 81.548 13.708 -10.590 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.265 13.567 -9.049 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.467 13.239 -7.816 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.677 15.527 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.663 15.352 -9.141 1.00 0.00 H new ATOM 0 HE1 MET A 62 77.129 16.163 -9.038 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.728 14.501 -9.250 1.00 0.00 H new ATOM 0 HE3 MET A 62 78.153 15.421 -7.786 1.00 0.00 H new ATOM 527 N ARG A 63 82.835 12.932 -8.064 1.00 0.00 N ATOM 528 CA ARG A 63 84.022 12.370 -7.372 1.00 0.00 C ATOM 529 C ARG A 63 83.650 11.113 -6.600 1.00 0.00 C ATOM 530 O ARG A 63 82.767 11.122 -5.767 1.00 0.00 O ATOM 531 CB ARG A 63 84.455 13.431 -6.376 1.00 0.00 C ATOM 532 CG ARG A 63 84.937 14.673 -7.103 1.00 0.00 C ATOM 533 CD ARG A 63 84.611 15.898 -6.244 1.00 0.00 C ATOM 534 NE ARG A 63 85.786 16.803 -6.398 1.00 0.00 N ATOM 535 CZ ARG A 63 85.767 17.750 -7.296 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.244 17.528 -8.470 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.273 18.921 -7.019 1.00 0.00 N ATOM 0 H ARG A 63 82.405 13.737 -7.609 1.00 0.00 H new ATOM 0 HA ARG A 63 84.802 12.112 -8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.622 13.686 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.251 13.041 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.010 14.613 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.453 14.754 -8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.694 16.382 -6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.462 15.620 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 63 86.605 16.682 -5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.849 16.613 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.230 18.269 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.683 19.095 -6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.259 19.662 -7.720 1.00 0.00 H new ATOM 551 N PHE A 64 84.343 10.044 -6.831 1.00 0.00 N ATOM 552 CA PHE A 64 84.054 8.815 -6.068 1.00 0.00 C ATOM 553 C PHE A 64 84.871 8.866 -4.780 1.00 0.00 C ATOM 554 O PHE A 64 84.432 8.452 -3.727 1.00 0.00 O ATOM 555 CB PHE A 64 84.528 7.675 -6.973 1.00 0.00 C ATOM 556 CG PHE A 64 83.355 6.818 -7.385 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.428 6.384 -6.428 1.00 0.00 C ATOM 558 CD2 PHE A 64 83.197 6.453 -8.727 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.344 5.586 -6.816 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.115 5.654 -9.115 1.00 0.00 C ATOM 561 CZ PHE A 64 81.188 5.221 -8.159 1.00 0.00 C ATOM 0 H PHE A 64 85.096 9.969 -7.515 1.00 0.00 H new ATOM 0 HA PHE A 64 83.004 8.692 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.019 8.082 -7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.266 7.067 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.549 6.664 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.911 6.788 -9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.628 5.252 -6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.995 5.372 -10.151 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.352 4.605 -8.457 1.00 0.00 H new ATOM 571 N ASN A 65 86.067 9.379 -4.866 1.00 0.00 N ATOM 572 CA ASN A 65 86.936 9.453 -3.663 1.00 0.00 C ATOM 573 C ASN A 65 86.746 10.766 -2.886 1.00 0.00 C ATOM 574 O ASN A 65 86.782 10.773 -1.672 1.00 0.00 O ATOM 575 CB ASN A 65 88.347 9.336 -4.213 1.00 0.00 C ATOM 576 CG ASN A 65 88.822 10.690 -4.741 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.168 11.569 -3.977 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.853 10.894 -6.030 1.00 0.00 N ATOM 0 H ASN A 65 86.479 9.751 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 65 86.698 8.669 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.022 8.985 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.373 8.596 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.168 11.792 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.562 10.155 -6.670 1.00 0.00 H new ATOM 585 N GLU A 66 86.534 11.877 -3.546 1.00 0.00 N ATOM 586 CA GLU A 66 86.337 13.137 -2.768 1.00 0.00 C ATOM 587 C GLU A 66 85.138 12.921 -1.862 1.00 0.00 C ATOM 588 O GLU A 66 85.228 13.013 -0.649 1.00 0.00 O ATOM 589 CB GLU A 66 86.070 14.250 -3.780 1.00 0.00 C ATOM 590 CG GLU A 66 87.206 14.298 -4.808 1.00 0.00 C ATOM 591 CD GLU A 66 88.438 14.951 -4.176 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.413 15.182 -2.979 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.385 15.209 -4.901 1.00 0.00 O ATOM 0 H GLU A 66 86.490 11.967 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 66 87.201 13.404 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.119 14.077 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.990 15.209 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.448 13.290 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.892 14.862 -5.686 1.00 0.00 H new ATOM 600 N VAL A 67 84.017 12.566 -2.436 1.00 0.00 N ATOM 601 CA VAL A 67 82.843 12.271 -1.588 1.00 0.00 C ATOM 602 C VAL A 67 83.322 11.298 -0.513 1.00 0.00 C ATOM 603 O VAL A 67 83.088 11.467 0.667 1.00 0.00 O ATOM 604 CB VAL A 67 81.824 11.582 -2.503 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.270 12.572 -3.521 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.487 10.423 -3.232 1.00 0.00 C ATOM 0 H VAL A 67 83.872 12.471 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 67 82.402 13.153 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 67 81.004 11.207 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.548 12.068 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.780 13.394 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.086 12.963 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.758 9.937 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.315 10.798 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.863 9.703 -2.505 1.00 0.00 H new ATOM 616 N ALA A 68 84.044 10.292 -0.940 1.00 0.00 N ATOM 617 CA ALA A 68 84.593 9.296 0.013 1.00 0.00 C ATOM 618 C ALA A 68 85.244 10.027 1.171 1.00 0.00 C ATOM 619 O ALA A 68 85.032 9.711 2.325 1.00 0.00 O ATOM 620 CB ALA A 68 85.648 8.531 -0.778 1.00 0.00 C ATOM 0 H ALA A 68 84.275 10.122 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 68 83.828 8.633 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.102 7.773 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.181 8.050 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.416 9.223 -1.123 1.00 0.00 H new ATOM 626 N ALA A 69 86.034 11.018 0.866 1.00 0.00 N ATOM 627 CA ALA A 69 86.692 11.788 1.943 1.00 0.00 C ATOM 628 C ALA A 69 85.667 12.070 3.033 1.00 0.00 C ATOM 629 O ALA A 69 85.740 11.533 4.119 1.00 0.00 O ATOM 630 CB ALA A 69 87.155 13.086 1.280 1.00 0.00 C ATOM 0 H ALA A 69 86.249 11.324 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 69 87.529 11.261 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.655 13.713 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.848 12.854 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.292 13.617 0.877 1.00 0.00 H new ATOM 636 N GLN A 70 84.700 12.899 2.753 1.00 0.00 N ATOM 637 CA GLN A 70 83.681 13.185 3.782 1.00 0.00 C ATOM 638 C GLN A 70 82.490 12.240 3.691 1.00 0.00 C ATOM 639 O GLN A 70 82.206 11.485 4.598 1.00 0.00 O ATOM 640 CB GLN A 70 83.220 14.598 3.526 1.00 0.00 C ATOM 641 CG GLN A 70 83.428 15.370 4.812 1.00 0.00 C ATOM 642 CD GLN A 70 82.341 14.982 5.832 1.00 0.00 C ATOM 643 OE1 GLN A 70 81.585 15.828 6.267 1.00 0.00 O ATOM 644 NE2 GLN A 70 82.217 13.733 6.241 1.00 0.00 N ATOM 0 H GLN A 70 84.578 13.383 1.864 1.00 0.00 H new ATOM 0 HA GLN A 70 84.107 13.053 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.787 15.047 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.171 14.614 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 70 84.416 15.156 5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.389 16.441 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.846 13.014 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.492 13.487 6.915 1.00 0.00 H new ATOM 653 N TYR A 71 81.769 12.328 2.607 1.00 0.00 N ATOM 654 CA TYR A 71 80.553 11.488 2.426 1.00 0.00 C ATOM 655 C TYR A 71 80.760 10.104 3.034 1.00 0.00 C ATOM 656 O TYR A 71 79.820 9.466 3.457 1.00 0.00 O ATOM 657 CB TYR A 71 80.296 11.412 0.918 1.00 0.00 C ATOM 658 CG TYR A 71 79.960 12.789 0.365 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.073 13.945 1.162 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.526 12.907 -0.962 1.00 0.00 C ATOM 661 CE1 TYR A 71 79.753 15.199 0.627 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.206 14.162 -1.492 1.00 0.00 C ATOM 663 CZ TYR A 71 79.320 15.308 -0.698 1.00 0.00 C ATOM 664 OH TYR A 71 79.003 16.545 -1.220 1.00 0.00 O ATOM 0 H TYR A 71 81.974 12.955 1.829 1.00 0.00 H new ATOM 0 HA TYR A 71 79.692 11.919 2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.177 11.016 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.476 10.723 0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 71 80.407 13.864 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.438 12.025 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 71 79.841 16.084 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.871 14.246 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 71 79.545 17.234 -0.781 1.00 0.00 H new ATOM 674 N SER A 72 81.973 9.620 3.075 1.00 0.00 N ATOM 675 CA SER A 72 82.190 8.272 3.665 1.00 0.00 C ATOM 676 C SER A 72 82.503 8.371 5.166 1.00 0.00 C ATOM 677 O SER A 72 82.506 9.435 5.750 1.00 0.00 O ATOM 678 CB SER A 72 83.378 7.677 2.913 1.00 0.00 C ATOM 679 OG SER A 72 84.523 7.675 3.754 1.00 0.00 O ATOM 0 H SER A 72 82.809 10.092 2.731 1.00 0.00 H new ATOM 0 HA SER A 72 81.298 7.652 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.147 6.661 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.578 8.256 2.012 1.00 0.00 H new ATOM 0 HG SER A 72 85.185 8.310 3.407 1.00 0.00 H new ATOM 685 N GLU A 73 82.768 7.247 5.782 1.00 0.00 N ATOM 686 CA GLU A 73 83.090 7.217 7.236 1.00 0.00 C ATOM 687 C GLU A 73 84.453 7.819 7.449 1.00 0.00 C ATOM 688 O GLU A 73 85.368 7.173 7.916 1.00 0.00 O ATOM 689 CB GLU A 73 83.103 5.740 7.612 1.00 0.00 C ATOM 690 CG GLU A 73 84.060 4.985 6.687 1.00 0.00 C ATOM 691 CD GLU A 73 84.544 3.716 7.390 1.00 0.00 C ATOM 692 OE1 GLU A 73 85.400 3.829 8.251 1.00 0.00 O ATOM 693 OE2 GLU A 73 84.047 2.653 7.057 1.00 0.00 O ATOM 0 H GLU A 73 82.774 6.334 5.328 1.00 0.00 H new ATOM 0 HA GLU A 73 82.376 7.779 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 73 83.414 5.621 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.099 5.324 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 73 83.557 4.729 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 84.909 5.618 6.428 1.00 0.00 H new ATOM 700 N ASP A 74 84.592 9.046 7.078 1.00 0.00 N ATOM 701 CA ASP A 74 85.907 9.741 7.216 1.00 0.00 C ATOM 702 C ASP A 74 86.906 9.186 6.186 1.00 0.00 C ATOM 703 O ASP A 74 87.552 9.935 5.481 1.00 0.00 O ATOM 704 CB ASP A 74 86.372 9.464 8.651 1.00 0.00 C ATOM 705 CG ASP A 74 87.562 10.367 8.985 1.00 0.00 C ATOM 706 OD1 ASP A 74 87.953 11.141 8.127 1.00 0.00 O ATOM 707 OD2 ASP A 74 88.062 10.268 10.093 1.00 0.00 O ATOM 0 H ASP A 74 83.846 9.615 6.678 1.00 0.00 H new ATOM 0 HA ASP A 74 85.830 10.812 7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 74 85.556 9.646 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.655 8.417 8.757 1.00 0.00 H new ATOM 712 N LYS A 75 87.027 7.884 6.077 1.00 0.00 N ATOM 713 CA LYS A 75 87.966 7.304 5.074 1.00 0.00 C ATOM 714 C LYS A 75 87.634 7.857 3.684 1.00 0.00 C ATOM 715 O LYS A 75 86.908 8.822 3.553 1.00 0.00 O ATOM 716 CB LYS A 75 87.712 5.794 5.125 1.00 0.00 C ATOM 717 CG LYS A 75 88.849 5.103 5.881 1.00 0.00 C ATOM 718 CD LYS A 75 90.170 5.353 5.149 1.00 0.00 C ATOM 719 CE LYS A 75 91.136 4.201 5.431 1.00 0.00 C ATOM 720 NZ LYS A 75 91.438 4.302 6.886 1.00 0.00 N ATOM 0 H LYS A 75 86.516 7.203 6.639 1.00 0.00 H new ATOM 0 HA LYS A 75 89.008 7.547 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 75 86.760 5.592 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.639 5.394 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.907 5.484 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.656 4.033 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 89.993 5.439 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.607 6.296 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 75 90.686 3.239 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 75 92.042 4.290 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.329 3.807 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.529 5.303 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 90.667 3.867 7.432 1.00 0.00 H new ATOM 734 N ALA A 76 88.143 7.259 2.643 1.00 0.00 N ATOM 735 CA ALA A 76 87.829 7.774 1.280 1.00 0.00 C ATOM 736 C ALA A 76 88.336 6.809 0.199 1.00 0.00 C ATOM 737 O ALA A 76 88.154 5.612 0.293 1.00 0.00 O ATOM 738 CB ALA A 76 88.544 9.123 1.192 1.00 0.00 C ATOM 0 H ALA A 76 88.756 6.445 2.675 1.00 0.00 H new ATOM 0 HA ALA A 76 86.756 7.872 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.361 9.569 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.166 9.787 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.615 8.977 1.329 1.00 0.00 H new ATOM 744 N ARG A 77 88.953 7.320 -0.836 1.00 0.00 N ATOM 745 CA ARG A 77 89.449 6.429 -1.926 1.00 0.00 C ATOM 746 C ARG A 77 88.253 5.832 -2.672 1.00 0.00 C ATOM 747 O ARG A 77 87.569 4.966 -2.164 1.00 0.00 O ATOM 748 CB ARG A 77 90.254 5.332 -1.225 1.00 0.00 C ATOM 749 CG ARG A 77 91.708 5.381 -1.700 1.00 0.00 C ATOM 750 CD ARG A 77 91.821 4.698 -3.064 1.00 0.00 C ATOM 751 NE ARG A 77 92.946 5.396 -3.748 1.00 0.00 N ATOM 752 CZ ARG A 77 92.865 5.671 -5.021 1.00 0.00 C ATOM 753 NH1 ARG A 77 92.547 4.735 -5.873 1.00 0.00 N ATOM 754 NH2 ARG A 77 93.104 6.883 -5.441 1.00 0.00 N ATOM 0 H ARG A 77 89.134 8.314 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 77 90.061 6.960 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 77 90.209 5.468 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 77 89.822 4.355 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 77 92.044 6.415 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 77 92.355 4.884 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 77 92.023 3.632 -2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 77 90.895 4.791 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 77 93.779 5.659 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 77 92.361 3.787 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 77 92.484 4.951 -6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 77 93.354 7.614 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 77 93.041 7.100 -6.436 1.00 0.00 H new ATOM 768 N GLN A 78 87.985 6.309 -3.860 1.00 0.00 N ATOM 769 CA GLN A 78 86.820 5.802 -4.666 1.00 0.00 C ATOM 770 C GLN A 78 85.471 6.120 -3.992 1.00 0.00 C ATOM 771 O GLN A 78 84.487 6.350 -4.662 1.00 0.00 O ATOM 772 CB GLN A 78 87.018 4.292 -4.780 1.00 0.00 C ATOM 773 CG GLN A 78 85.663 3.608 -5.008 1.00 0.00 C ATOM 774 CD GLN A 78 85.018 3.287 -3.657 1.00 0.00 C ATOM 775 OE1 GLN A 78 85.563 2.536 -2.875 1.00 0.00 O ATOM 776 NE2 GLN A 78 83.874 3.835 -3.345 1.00 0.00 N ATOM 0 H GLN A 78 88.529 7.040 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 78 86.789 6.286 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 78 87.694 4.065 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.482 3.907 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 78 85.009 4.258 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 78 85.798 2.693 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.415 4.466 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 78 83.440 3.632 -2.445 1.00 0.00 H new ATOM 785 N GLY A 79 85.397 6.106 -2.691 1.00 0.00 N ATOM 786 CA GLY A 79 84.104 6.393 -2.028 1.00 0.00 C ATOM 787 C GLY A 79 84.136 5.824 -0.610 1.00 0.00 C ATOM 788 O GLY A 79 83.852 6.510 0.351 1.00 0.00 O ATOM 0 H GLY A 79 86.176 5.908 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 83.926 7.468 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 79 83.284 5.950 -2.593 1.00 0.00 H new ATOM 792 N GLY A 80 84.490 4.579 -0.470 1.00 0.00 N ATOM 793 CA GLY A 80 84.549 3.974 0.889 1.00 0.00 C ATOM 794 C GLY A 80 85.282 2.630 0.834 1.00 0.00 C ATOM 795 O GLY A 80 85.137 1.806 1.715 1.00 0.00 O ATOM 0 H GLY A 80 84.741 3.954 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 80 85.061 4.649 1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 80 83.540 3.832 1.277 1.00 0.00 H new ATOM 799 N ASP A 81 86.073 2.397 -0.182 1.00 0.00 N ATOM 800 CA ASP A 81 86.804 1.101 -0.263 1.00 0.00 C ATOM 801 C ASP A 81 87.713 0.945 0.954 1.00 0.00 C ATOM 802 O ASP A 81 88.885 1.263 0.910 1.00 0.00 O ATOM 803 CB ASP A 81 87.636 1.187 -1.541 1.00 0.00 C ATOM 804 CG ASP A 81 88.354 2.537 -1.587 1.00 0.00 C ATOM 805 OD1 ASP A 81 88.317 3.238 -0.589 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.928 2.845 -2.618 1.00 0.00 O ATOM 0 H ASP A 81 86.242 3.044 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 81 86.129 0.245 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.362 0.375 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 81 86.994 1.073 -2.415 1.00 0.00 H new ATOM 811 N LEU A 82 87.183 0.463 2.043 1.00 0.00 N ATOM 812 CA LEU A 82 88.015 0.293 3.257 1.00 0.00 C ATOM 813 C LEU A 82 88.946 -0.917 3.079 1.00 0.00 C ATOM 814 O LEU A 82 89.748 -1.227 3.935 1.00 0.00 O ATOM 815 CB LEU A 82 86.979 0.102 4.383 1.00 0.00 C ATOM 816 CG LEU A 82 87.332 -1.089 5.273 1.00 0.00 C ATOM 817 CD1 LEU A 82 88.485 -0.704 6.204 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.110 -1.477 6.108 1.00 0.00 C ATOM 0 H LEU A 82 86.208 0.180 2.141 1.00 0.00 H new ATOM 0 HA LEU A 82 88.676 1.132 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.927 1.007 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 82 85.991 -0.048 3.948 1.00 0.00 H new ATOM 0 HG LEU A 82 87.632 -1.933 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 82 88.738 -1.552 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 82 89.355 -0.424 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 82 88.184 0.139 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.359 -2.327 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.812 -0.633 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 82 85.288 -1.748 5.446 1.00 0.00 H new ATOM 830 N GLY A 83 88.848 -1.595 1.963 1.00 0.00 N ATOM 831 CA GLY A 83 89.731 -2.774 1.727 1.00 0.00 C ATOM 832 C GLY A 83 88.882 -4.042 1.607 1.00 0.00 C ATOM 833 O GLY A 83 87.774 -4.108 2.099 1.00 0.00 O ATOM 0 H GLY A 83 88.196 -1.383 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.313 -2.628 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.442 -2.877 2.547 1.00 0.00 H new ATOM 837 N TRP A 84 89.402 -5.054 0.958 1.00 0.00 N ATOM 838 CA TRP A 84 88.637 -6.329 0.808 1.00 0.00 C ATOM 839 C TRP A 84 87.916 -6.656 2.120 1.00 0.00 C ATOM 840 O TRP A 84 88.255 -6.133 3.163 1.00 0.00 O ATOM 841 CB TRP A 84 89.706 -7.379 0.499 1.00 0.00 C ATOM 842 CG TRP A 84 89.855 -7.528 -0.976 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.897 -7.058 -1.686 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.970 -8.185 -1.928 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.712 -7.373 -3.020 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.538 -8.071 -3.220 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.743 -8.859 -1.800 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.911 -8.606 -4.345 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.109 -9.401 -2.931 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.692 -9.274 -4.201 1.00 0.00 C ATOM 0 H TRP A 84 90.325 -5.052 0.525 1.00 0.00 H new ATOM 0 HA TRP A 84 87.875 -6.281 0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.657 -7.084 0.942 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.430 -8.335 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.742 -6.521 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.363 -7.121 -3.764 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.285 -8.961 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 89.364 -8.505 -5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.167 -9.918 -2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 84 87.199 -9.692 -5.066 1.00 0.00 H new ATOM 861 N MET A 85 86.921 -7.504 2.087 1.00 0.00 N ATOM 862 CA MET A 85 86.200 -7.823 3.356 1.00 0.00 C ATOM 863 C MET A 85 85.675 -9.261 3.345 1.00 0.00 C ATOM 864 O MET A 85 85.083 -9.713 2.385 1.00 0.00 O ATOM 865 CB MET A 85 85.042 -6.829 3.409 1.00 0.00 C ATOM 866 CG MET A 85 85.431 -5.643 4.295 1.00 0.00 C ATOM 867 SD MET A 85 85.671 -6.214 5.996 1.00 0.00 S ATOM 868 CE MET A 85 87.320 -5.512 6.244 1.00 0.00 C ATOM 0 H MET A 85 86.581 -7.982 1.253 1.00 0.00 H new ATOM 0 HA MET A 85 86.854 -7.744 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 85 84.799 -6.483 2.404 1.00 0.00 H new ATOM 0 HB3 MET A 85 84.149 -7.314 3.803 1.00 0.00 H new ATOM 0 HG2 MET A 85 86.346 -5.182 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 85 84.653 -4.880 4.262 1.00 0.00 H new ATOM 0 HE1 MET A 85 87.559 -5.511 7.308 1.00 0.00 H new ATOM 0 HE2 MET A 85 88.055 -6.112 5.707 1.00 0.00 H new ATOM 0 HE3 MET A 85 87.341 -4.490 5.867 1.00 0.00 H new ATOM 878 N THR A 86 85.882 -9.978 4.417 1.00 0.00 N ATOM 879 CA THR A 86 85.391 -11.384 4.487 1.00 0.00 C ATOM 880 C THR A 86 84.999 -11.747 5.906 1.00 0.00 C ATOM 881 O THR A 86 85.519 -11.234 6.878 1.00 0.00 O ATOM 882 CB THR A 86 86.525 -12.279 4.030 1.00 0.00 C ATOM 883 OG1 THR A 86 86.163 -13.637 4.247 1.00 0.00 O ATOM 884 CG2 THR A 86 87.777 -11.954 4.829 1.00 0.00 C ATOM 0 H THR A 86 86.371 -9.649 5.249 1.00 0.00 H new ATOM 0 HA THR A 86 84.511 -11.505 3.856 1.00 0.00 H new ATOM 0 HB THR A 86 86.719 -12.116 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 86 86.944 -14.211 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.594 -12.597 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 86 88.050 -10.911 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.586 -12.121 5.889 1.00 0.00 H new ATOM 892 N ARG A 87 84.076 -12.635 6.010 1.00 0.00 N ATOM 893 CA ARG A 87 83.595 -13.082 7.348 1.00 0.00 C ATOM 894 C ARG A 87 84.780 -13.278 8.298 1.00 0.00 C ATOM 895 O ARG A 87 85.906 -13.441 7.874 1.00 0.00 O ATOM 896 CB ARG A 87 82.890 -14.415 7.091 1.00 0.00 C ATOM 897 CG ARG A 87 81.479 -14.366 7.677 1.00 0.00 C ATOM 898 CD ARG A 87 81.514 -14.849 9.128 1.00 0.00 C ATOM 899 NE ARG A 87 80.590 -16.018 9.165 1.00 0.00 N ATOM 900 CZ ARG A 87 80.964 -17.161 8.657 1.00 0.00 C ATOM 901 NH1 ARG A 87 81.596 -18.031 9.397 1.00 0.00 N ATOM 902 NH2 ARG A 87 80.706 -17.434 7.407 1.00 0.00 N ATOM 0 H ARG A 87 83.618 -13.086 5.218 1.00 0.00 H new ATOM 0 HA ARG A 87 82.932 -12.352 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.844 -14.614 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 87 83.455 -15.230 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.089 -13.349 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.808 -14.992 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 87 82.523 -15.134 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 87 81.188 -14.066 9.813 1.00 0.00 H new ATOM 0 HE ARG A 87 79.666 -15.925 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 87 81.798 -17.818 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 87 81.887 -18.924 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 87 80.213 -16.755 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.998 -18.327 7.009 1.00 0.00 H new ATOM 916 N GLY A 88 84.535 -13.263 9.580 1.00 0.00 N ATOM 917 CA GLY A 88 85.649 -13.451 10.552 1.00 0.00 C ATOM 918 C GLY A 88 86.144 -12.085 11.033 1.00 0.00 C ATOM 919 O GLY A 88 86.657 -11.950 12.127 1.00 0.00 O ATOM 0 H GLY A 88 83.613 -13.129 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.309 -14.046 11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.465 -14.001 10.084 1.00 0.00 H new ATOM 923 N SER A 89 85.996 -11.071 10.226 1.00 0.00 N ATOM 924 CA SER A 89 86.458 -9.715 10.639 1.00 0.00 C ATOM 925 C SER A 89 85.292 -8.726 10.595 1.00 0.00 C ATOM 926 O SER A 89 85.176 -7.849 11.428 1.00 0.00 O ATOM 927 CB SER A 89 87.526 -9.331 9.614 1.00 0.00 C ATOM 928 OG SER A 89 88.764 -9.923 9.977 1.00 0.00 O ATOM 0 H SER A 89 85.575 -11.122 9.298 1.00 0.00 H new ATOM 0 HA SER A 89 86.848 -9.703 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.228 -9.665 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.629 -8.247 9.568 1.00 0.00 H new ATOM 0 HG SER A 89 89.449 -9.679 9.320 1.00 0.00 H new ATOM 934 N MET A 90 84.426 -8.861 9.629 1.00 0.00 N ATOM 935 CA MET A 90 83.266 -7.929 9.531 1.00 0.00 C ATOM 936 C MET A 90 82.519 -7.872 10.866 1.00 0.00 C ATOM 937 O MET A 90 82.940 -8.448 11.850 1.00 0.00 O ATOM 938 CB MET A 90 82.371 -8.524 8.442 1.00 0.00 C ATOM 939 CG MET A 90 82.768 -7.942 7.084 1.00 0.00 C ATOM 940 SD MET A 90 82.310 -9.105 5.774 1.00 0.00 S ATOM 941 CE MET A 90 81.485 -7.911 4.693 1.00 0.00 C ATOM 0 H MET A 90 84.471 -9.576 8.903 1.00 0.00 H new ATOM 0 HA MET A 90 83.574 -6.910 9.295 1.00 0.00 H new ATOM 0 HB2 MET A 90 82.470 -9.609 8.428 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.325 -8.302 8.654 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.270 -6.985 6.926 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.841 -7.751 7.057 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.274 -8.377 3.731 1.00 0.00 H new ATOM 0 HE2 MET A 90 80.551 -7.588 5.153 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.133 -7.047 4.543 1.00 0.00 H new ATOM 951 N VAL A 91 81.414 -7.178 10.907 1.00 0.00 N ATOM 952 CA VAL A 91 80.639 -7.082 12.180 1.00 0.00 C ATOM 953 C VAL A 91 79.407 -7.990 12.107 1.00 0.00 C ATOM 954 O VAL A 91 79.450 -9.063 11.539 1.00 0.00 O ATOM 955 CB VAL A 91 80.217 -5.610 12.295 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.992 -5.261 13.768 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.311 -4.699 11.725 1.00 0.00 C ATOM 0 H VAL A 91 81.014 -6.674 10.116 1.00 0.00 H new ATOM 0 HA VAL A 91 81.225 -7.398 13.043 1.00 0.00 H new ATOM 0 HB VAL A 91 79.297 -5.461 11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.692 -4.216 13.853 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.208 -5.898 14.177 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.916 -5.420 14.325 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.000 -3.658 11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.236 -4.849 12.282 1.00 0.00 H new ATOM 0 HG23 VAL A 91 81.476 -4.941 10.675 1.00 0.00 H new ATOM 967 N GLY A 92 78.309 -7.569 12.674 1.00 0.00 N ATOM 968 CA GLY A 92 77.080 -8.410 12.630 1.00 0.00 C ATOM 969 C GLY A 92 76.311 -8.108 11.340 1.00 0.00 C ATOM 970 O GLY A 92 76.379 -8.865 10.391 1.00 0.00 O ATOM 0 H GLY A 92 78.210 -6.680 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.346 -9.466 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.453 -8.205 13.498 1.00 0.00 H new ATOM 974 N PRO A 93 75.603 -7.006 11.343 1.00 0.00 N ATOM 975 CA PRO A 93 74.817 -6.599 10.155 1.00 0.00 C ATOM 976 C PRO A 93 75.744 -6.332 8.965 1.00 0.00 C ATOM 977 O PRO A 93 75.398 -6.580 7.827 1.00 0.00 O ATOM 978 CB PRO A 93 74.140 -5.308 10.623 1.00 0.00 C ATOM 979 CG PRO A 93 74.569 -5.022 12.077 1.00 0.00 C ATOM 980 CD PRO A 93 75.550 -6.113 12.527 1.00 0.00 C ATOM 0 HA PRO A 93 74.110 -7.357 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.422 -4.478 9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.056 -5.406 10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.038 -4.041 12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 93 73.697 -5.005 12.731 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.530 -5.702 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.195 -6.637 13.415 1.00 0.00 H new ATOM 988 N PHE A 94 76.919 -5.825 9.222 1.00 0.00 N ATOM 989 CA PHE A 94 77.870 -5.536 8.109 1.00 0.00 C ATOM 990 C PHE A 94 77.871 -6.682 7.092 1.00 0.00 C ATOM 991 O PHE A 94 77.492 -6.511 5.951 1.00 0.00 O ATOM 992 CB PHE A 94 79.238 -5.415 8.782 1.00 0.00 C ATOM 993 CG PHE A 94 79.950 -4.191 8.256 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.319 -2.942 8.297 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.242 -4.306 7.728 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.978 -1.808 7.808 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.902 -3.171 7.240 1.00 0.00 C ATOM 998 CZ PHE A 94 81.270 -1.922 7.280 1.00 0.00 C ATOM 0 H PHE A 94 77.262 -5.598 10.155 1.00 0.00 H new ATOM 0 HA PHE A 94 77.600 -4.633 7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.119 -5.343 9.863 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.832 -6.307 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.323 -2.853 8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.729 -5.269 7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.490 -0.845 7.838 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.898 -3.259 6.833 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.779 -1.047 6.904 1.00 0.00 H new ATOM 1008 N GLN A 95 78.298 -7.848 7.495 1.00 0.00 N ATOM 1009 CA GLN A 95 78.326 -9.000 6.548 1.00 0.00 C ATOM 1010 C GLN A 95 76.903 -9.423 6.172 1.00 0.00 C ATOM 1011 O GLN A 95 76.647 -9.859 5.067 1.00 0.00 O ATOM 1012 CB GLN A 95 79.034 -10.119 7.310 1.00 0.00 C ATOM 1013 CG GLN A 95 78.933 -11.420 6.511 1.00 0.00 C ATOM 1014 CD GLN A 95 78.378 -12.529 7.409 1.00 0.00 C ATOM 1015 OE1 GLN A 95 79.001 -13.558 7.579 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.224 -12.360 7.994 1.00 0.00 N ATOM 0 H GLN A 95 78.628 -8.053 8.438 1.00 0.00 H new ATOM 0 HA GLN A 95 78.834 -8.752 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.080 -9.859 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.582 -10.247 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.284 -11.279 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.915 -11.703 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 95 76.701 -11.496 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.845 -13.092 8.594 1.00 0.00 H new ATOM 1025 N GLU A 96 75.976 -9.304 7.082 1.00 0.00 N ATOM 1026 CA GLU A 96 74.572 -9.705 6.774 1.00 0.00 C ATOM 1027 C GLU A 96 74.063 -8.972 5.530 1.00 0.00 C ATOM 1028 O GLU A 96 73.307 -9.514 4.747 1.00 0.00 O ATOM 1029 CB GLU A 96 73.765 -9.291 8.004 1.00 0.00 C ATOM 1030 CG GLU A 96 73.977 -10.314 9.122 1.00 0.00 C ATOM 1031 CD GLU A 96 72.619 -10.745 9.681 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.758 -11.093 8.891 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.464 -10.719 10.891 1.00 0.00 O ATOM 0 H GLU A 96 76.129 -8.947 8.025 1.00 0.00 H new ATOM 0 HA GLU A 96 74.488 -10.772 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.075 -8.301 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.706 -9.226 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 96 74.517 -11.180 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.588 -9.882 9.914 1.00 0.00 H new ATOM 1040 N ALA A 97 74.465 -7.745 5.340 1.00 0.00 N ATOM 1041 CA ALA A 97 73.996 -6.984 4.147 1.00 0.00 C ATOM 1042 C ALA A 97 74.933 -7.227 2.962 1.00 0.00 C ATOM 1043 O ALA A 97 74.671 -8.051 2.110 1.00 0.00 O ATOM 1044 CB ALA A 97 74.036 -5.515 4.571 1.00 0.00 C ATOM 0 H ALA A 97 75.097 -7.237 5.958 1.00 0.00 H new ATOM 0 HA ALA A 97 72.999 -7.289 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.704 -4.888 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.378 -5.365 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 97 75.055 -5.243 4.845 1.00 0.00 H new ATOM 1050 N ALA A 98 76.018 -6.508 2.905 1.00 0.00 N ATOM 1051 CA ALA A 98 76.985 -6.677 1.776 1.00 0.00 C ATOM 1052 C ALA A 98 77.111 -8.151 1.370 1.00 0.00 C ATOM 1053 O ALA A 98 76.829 -8.518 0.246 1.00 0.00 O ATOM 1054 CB ALA A 98 78.318 -6.164 2.322 1.00 0.00 C ATOM 0 H ALA A 98 76.282 -5.805 3.595 1.00 0.00 H new ATOM 0 HA ALA A 98 76.662 -6.138 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.085 -6.253 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.214 -5.118 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.606 -6.754 3.192 1.00 0.00 H new ATOM 1060 N PHE A 99 77.543 -8.993 2.267 1.00 0.00 N ATOM 1061 CA PHE A 99 77.700 -10.438 1.921 1.00 0.00 C ATOM 1062 C PHE A 99 76.389 -11.014 1.382 1.00 0.00 C ATOM 1063 O PHE A 99 76.332 -11.533 0.286 1.00 0.00 O ATOM 1064 CB PHE A 99 78.090 -11.122 3.232 1.00 0.00 C ATOM 1065 CG PHE A 99 79.270 -12.031 2.989 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.476 -11.499 2.517 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.160 -13.405 3.235 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.571 -12.341 2.291 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.255 -14.247 3.008 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.461 -13.715 2.536 1.00 0.00 C ATOM 0 H PHE A 99 77.794 -8.746 3.224 1.00 0.00 H new ATOM 0 HA PHE A 99 78.447 -10.590 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.341 -10.375 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.248 -11.696 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.561 -10.439 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.230 -13.815 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.501 -11.930 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.170 -15.307 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.306 -14.364 2.361 1.00 0.00 H new ATOM 1080 N ALA A 100 75.339 -10.932 2.146 1.00 0.00 N ATOM 1081 CA ALA A 100 74.031 -11.483 1.681 1.00 0.00 C ATOM 1082 C ALA A 100 73.542 -10.729 0.443 1.00 0.00 C ATOM 1083 O ALA A 100 73.214 -11.320 -0.568 1.00 0.00 O ATOM 1084 CB ALA A 100 73.072 -11.268 2.851 1.00 0.00 C ATOM 0 H ALA A 100 75.326 -10.508 3.073 1.00 0.00 H new ATOM 0 HA ALA A 100 74.106 -12.534 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.085 -11.648 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.443 -11.799 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.003 -10.203 3.074 1.00 0.00 H new ATOM 1090 N LEU A 101 73.483 -9.428 0.514 1.00 0.00 N ATOM 1091 CA LEU A 101 73.007 -8.636 -0.655 1.00 0.00 C ATOM 1092 C LEU A 101 73.926 -8.851 -1.865 1.00 0.00 C ATOM 1093 O LEU A 101 75.043 -9.306 -1.721 1.00 0.00 O ATOM 1094 CB LEU A 101 73.062 -7.180 -0.192 1.00 0.00 C ATOM 1095 CG LEU A 101 71.801 -6.843 0.611 1.00 0.00 C ATOM 1096 CD1 LEU A 101 70.627 -6.625 -0.347 1.00 0.00 C ATOM 1097 CD2 LEU A 101 71.470 -7.990 1.571 1.00 0.00 C ATOM 0 H LEU A 101 73.744 -8.878 1.332 1.00 0.00 H new ATOM 0 HA LEU A 101 72.006 -8.931 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.949 -7.017 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.143 -6.518 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 101 71.977 -5.934 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 101 69.730 -6.385 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.857 -5.802 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.456 -7.533 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.573 -7.742 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.299 -8.903 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 101 72.303 -8.141 2.258 1.00 0.00 H new ATOM 1109 N PRO A 102 73.418 -8.514 -3.025 1.00 0.00 N ATOM 1110 CA PRO A 102 74.193 -8.667 -4.280 1.00 0.00 C ATOM 1111 C PRO A 102 75.468 -7.819 -4.239 1.00 0.00 C ATOM 1112 O PRO A 102 75.632 -6.962 -3.394 1.00 0.00 O ATOM 1113 CB PRO A 102 73.224 -8.137 -5.340 1.00 0.00 C ATOM 1114 CG PRO A 102 71.923 -7.688 -4.646 1.00 0.00 C ATOM 1115 CD PRO A 102 72.044 -7.964 -3.143 1.00 0.00 C ATOM 0 HA PRO A 102 74.523 -9.690 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.673 -7.301 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.011 -8.911 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.748 -6.627 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.070 -8.224 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.919 -7.056 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.292 -8.674 -2.799 1.00 0.00 H new ATOM 1123 N VAL A 103 76.368 -8.047 -5.158 1.00 0.00 N ATOM 1124 CA VAL A 103 77.629 -7.250 -5.186 1.00 0.00 C ATOM 1125 C VAL A 103 77.304 -5.790 -5.543 1.00 0.00 C ATOM 1126 O VAL A 103 76.171 -5.450 -5.815 1.00 0.00 O ATOM 1127 CB VAL A 103 78.486 -7.928 -6.271 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.414 -6.910 -6.944 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.334 -9.031 -5.630 1.00 0.00 C ATOM 0 H VAL A 103 76.284 -8.751 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 103 78.150 -7.224 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 103 77.822 -8.351 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.010 -7.410 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.817 -6.124 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 103 80.075 -6.471 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.942 -9.513 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 103 79.984 -8.596 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.680 -9.770 -5.167 1.00 0.00 H new ATOM 1139 N SER A 104 78.288 -4.930 -5.534 1.00 0.00 N ATOM 1140 CA SER A 104 78.044 -3.492 -5.867 1.00 0.00 C ATOM 1141 C SER A 104 77.031 -2.880 -4.897 1.00 0.00 C ATOM 1142 O SER A 104 76.367 -3.575 -4.153 1.00 0.00 O ATOM 1143 CB SER A 104 77.489 -3.487 -7.293 1.00 0.00 C ATOM 1144 OG SER A 104 78.539 -3.756 -8.210 1.00 0.00 O ATOM 0 H SER A 104 79.256 -5.161 -5.309 1.00 0.00 H new ATOM 0 HA SER A 104 78.956 -2.901 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.704 -4.237 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 104 77.036 -2.521 -7.515 1.00 0.00 H new ATOM 0 HG SER A 104 78.184 -3.755 -9.123 1.00 0.00 H new ATOM 1150 N GLY A 105 76.908 -1.580 -4.902 1.00 0.00 N ATOM 1151 CA GLY A 105 75.941 -0.915 -3.985 1.00 0.00 C ATOM 1152 C GLY A 105 75.682 0.514 -4.464 1.00 0.00 C ATOM 1153 O GLY A 105 74.904 0.744 -5.368 1.00 0.00 O ATOM 0 H GLY A 105 77.437 -0.949 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.006 -1.475 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 105 76.336 -0.903 -2.969 1.00 0.00 H new ATOM 1157 N MET A 106 76.327 1.477 -3.864 1.00 0.00 N ATOM 1158 CA MET A 106 76.118 2.892 -4.285 1.00 0.00 C ATOM 1159 C MET A 106 74.626 3.239 -4.242 1.00 0.00 C ATOM 1160 O MET A 106 74.127 3.754 -3.262 1.00 0.00 O ATOM 1161 CB MET A 106 76.650 2.964 -5.717 1.00 0.00 C ATOM 1162 CG MET A 106 76.389 4.358 -6.288 1.00 0.00 C ATOM 1163 SD MET A 106 76.447 4.289 -8.095 1.00 0.00 S ATOM 1164 CE MET A 106 74.755 3.703 -8.355 1.00 0.00 C ATOM 0 H MET A 106 76.990 1.345 -3.100 1.00 0.00 H new ATOM 0 HA MET A 106 76.626 3.599 -3.630 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.718 2.748 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.164 2.209 -6.335 1.00 0.00 H new ATOM 0 HG2 MET A 106 75.416 4.722 -5.958 1.00 0.00 H new ATOM 0 HG3 MET A 106 77.135 5.061 -5.916 1.00 0.00 H new ATOM 0 HE1 MET A 106 74.492 3.806 -9.408 1.00 0.00 H new ATOM 0 HE2 MET A 106 74.684 2.655 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 106 74.068 4.294 -7.749 1.00 0.00 H new ATOM 1174 N ASP A 107 73.909 2.957 -5.296 1.00 0.00 N ATOM 1175 CA ASP A 107 72.451 3.267 -5.314 1.00 0.00 C ATOM 1176 C ASP A 107 71.830 2.802 -6.634 1.00 0.00 C ATOM 1177 O ASP A 107 71.293 3.589 -7.387 1.00 0.00 O ATOM 1178 CB ASP A 107 72.366 4.790 -5.190 1.00 0.00 C ATOM 1179 CG ASP A 107 70.906 5.204 -4.992 1.00 0.00 C ATOM 1180 OD1 ASP A 107 70.061 4.326 -4.951 1.00 0.00 O ATOM 1181 OD2 ASP A 107 70.658 6.395 -4.885 1.00 0.00 O ATOM 0 H ASP A 107 74.271 2.525 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 107 71.912 2.763 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 107 72.969 5.132 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.771 5.262 -6.085 1.00 0.00 H new ATOM 1186 N LYS A 108 71.902 1.530 -6.921 1.00 0.00 N ATOM 1187 CA LYS A 108 71.319 1.024 -8.191 1.00 0.00 C ATOM 1188 C LYS A 108 71.597 -0.478 -8.362 1.00 0.00 C ATOM 1189 O LYS A 108 70.673 -1.253 -8.514 1.00 0.00 O ATOM 1190 CB LYS A 108 72.008 1.831 -9.283 1.00 0.00 C ATOM 1191 CG LYS A 108 70.960 2.617 -10.077 1.00 0.00 C ATOM 1192 CD LYS A 108 70.504 1.792 -11.282 1.00 0.00 C ATOM 1193 CE LYS A 108 69.111 2.253 -11.718 1.00 0.00 C ATOM 1194 NZ LYS A 108 69.238 2.525 -13.178 1.00 0.00 N ATOM 0 H LYS A 108 72.339 0.823 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 108 70.235 1.137 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.733 2.515 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.560 1.166 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.107 2.851 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.379 3.566 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.211 1.907 -12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 108 70.484 0.733 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 108 68.362 1.486 -11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 108 68.802 3.146 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 68.322 2.846 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 69.954 3.264 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 69.527 1.655 -13.669 1.00 0.00 H new ATOM 1208 N PRO A 109 72.857 -0.854 -8.338 1.00 0.00 N ATOM 1209 CA PRO A 109 73.219 -2.284 -8.500 1.00 0.00 C ATOM 1210 C PRO A 109 72.535 -3.140 -7.429 1.00 0.00 C ATOM 1211 O PRO A 109 71.533 -3.778 -7.684 1.00 0.00 O ATOM 1212 CB PRO A 109 74.740 -2.273 -8.326 1.00 0.00 C ATOM 1213 CG PRO A 109 75.198 -0.822 -8.076 1.00 0.00 C ATOM 1214 CD PRO A 109 73.976 0.105 -8.148 1.00 0.00 C ATOM 0 HA PRO A 109 72.906 -2.710 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 109 75.029 -2.910 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.225 -2.675 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.676 -0.741 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.939 -0.527 -8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.857 0.692 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.050 0.811 -8.975 1.00 0.00 H new ATOM 1222 N VAL A 110 73.064 -3.163 -6.234 1.00 0.00 N ATOM 1223 CA VAL A 110 72.430 -3.982 -5.158 1.00 0.00 C ATOM 1224 C VAL A 110 70.942 -3.616 -5.032 1.00 0.00 C ATOM 1225 O VAL A 110 70.399 -2.907 -5.856 1.00 0.00 O ATOM 1226 CB VAL A 110 73.233 -3.648 -3.884 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.385 -2.856 -2.879 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.699 -4.950 -3.231 1.00 0.00 C ATOM 0 H VAL A 110 73.903 -2.653 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 110 72.454 -5.053 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 110 74.088 -3.034 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.981 -2.637 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.057 -1.922 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.514 -3.446 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 110 74.268 -4.722 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.832 -5.556 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 110 74.330 -5.501 -3.928 1.00 0.00 H new ATOM 1238 N PHE A 111 70.276 -4.096 -4.016 1.00 0.00 N ATOM 1239 CA PHE A 111 68.826 -3.770 -3.867 1.00 0.00 C ATOM 1240 C PHE A 111 68.547 -3.065 -2.537 1.00 0.00 C ATOM 1241 O PHE A 111 67.812 -2.099 -2.483 1.00 0.00 O ATOM 1242 CB PHE A 111 68.113 -5.121 -3.923 1.00 0.00 C ATOM 1243 CG PHE A 111 67.859 -5.491 -5.365 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.865 -6.108 -6.118 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.618 -5.212 -5.952 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.631 -6.447 -7.456 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.383 -5.551 -7.289 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.390 -6.169 -8.041 1.00 0.00 C ATOM 0 H PHE A 111 70.668 -4.694 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 111 68.484 -3.088 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.721 -5.886 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.171 -5.071 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.822 -6.323 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.842 -4.735 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.408 -6.923 -8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.426 -5.336 -7.741 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.209 -6.431 -9.073 1.00 0.00 H new ATOM 1258 N THR A 112 69.113 -3.539 -1.464 1.00 0.00 N ATOM 1259 CA THR A 112 68.858 -2.887 -0.144 1.00 0.00 C ATOM 1260 C THR A 112 69.170 -1.394 -0.217 1.00 0.00 C ATOM 1261 O THR A 112 69.411 -0.846 -1.274 1.00 0.00 O ATOM 1262 CB THR A 112 69.795 -3.575 0.851 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.585 -3.030 2.146 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.253 -3.355 0.436 1.00 0.00 C ATOM 0 H THR A 112 69.738 -4.345 -1.440 1.00 0.00 H new ATOM 0 HA THR A 112 67.814 -2.984 0.153 1.00 0.00 H new ATOM 0 HB THR A 112 69.585 -4.645 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.182 -3.469 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.913 -3.848 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.416 -3.773 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.469 -2.287 0.420 1.00 0.00 H new ATOM 1272 N ASP A 113 69.174 -0.734 0.907 1.00 0.00 N ATOM 1273 CA ASP A 113 69.480 0.727 0.912 1.00 0.00 C ATOM 1274 C ASP A 113 70.956 0.941 1.274 1.00 0.00 C ATOM 1275 O ASP A 113 71.433 0.382 2.241 1.00 0.00 O ATOM 1276 CB ASP A 113 68.570 1.333 1.984 1.00 0.00 C ATOM 1277 CG ASP A 113 68.682 0.522 3.277 1.00 0.00 C ATOM 1278 OD1 ASP A 113 69.732 0.573 3.897 1.00 0.00 O ATOM 1279 OD2 ASP A 113 67.716 -0.136 3.626 1.00 0.00 O ATOM 0 H ASP A 113 68.979 -1.140 1.822 1.00 0.00 H new ATOM 0 HA ASP A 113 69.311 1.189 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 113 68.851 2.370 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 113 67.537 1.339 1.636 1.00 0.00 H new ATOM 1284 N PRO A 114 71.642 1.731 0.485 1.00 0.00 N ATOM 1285 CA PRO A 114 73.076 1.991 0.740 1.00 0.00 C ATOM 1286 C PRO A 114 73.323 2.534 2.160 1.00 0.00 C ATOM 1287 O PRO A 114 74.075 1.945 2.906 1.00 0.00 O ATOM 1288 CB PRO A 114 73.435 3.012 -0.342 1.00 0.00 C ATOM 1289 CG PRO A 114 72.176 3.304 -1.182 1.00 0.00 C ATOM 1290 CD PRO A 114 71.037 2.399 -0.693 1.00 0.00 C ATOM 0 HA PRO A 114 73.689 1.091 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 114 73.807 3.930 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.232 2.625 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 114 71.893 4.352 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.376 3.123 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.150 2.972 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.733 1.681 -1.455 1.00 0.00 H new ATOM 1298 N PRO A 115 72.691 3.634 2.495 1.00 0.00 N ATOM 1299 CA PRO A 115 72.865 4.244 3.841 1.00 0.00 C ATOM 1300 C PRO A 115 72.468 3.271 4.954 1.00 0.00 C ATOM 1301 O PRO A 115 71.503 3.487 5.661 1.00 0.00 O ATOM 1302 CB PRO A 115 71.892 5.420 3.802 1.00 0.00 C ATOM 1303 CG PRO A 115 71.187 5.440 2.432 1.00 0.00 C ATOM 1304 CD PRO A 115 71.774 4.320 1.561 1.00 0.00 C ATOM 0 HA PRO A 115 73.898 4.525 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.158 5.328 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.426 6.356 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.114 5.298 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.327 6.407 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.000 3.650 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.301 4.715 0.693 1.00 0.00 H new ATOM 1312 N VAL A 116 73.203 2.212 5.129 1.00 0.00 N ATOM 1313 CA VAL A 116 72.865 1.247 6.206 1.00 0.00 C ATOM 1314 C VAL A 116 73.586 1.643 7.495 1.00 0.00 C ATOM 1315 O VAL A 116 74.644 2.239 7.470 1.00 0.00 O ATOM 1316 CB VAL A 116 73.348 -0.108 5.704 1.00 0.00 C ATOM 1317 CG1 VAL A 116 72.750 -0.386 4.323 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.870 -0.106 5.616 1.00 0.00 C ATOM 0 H VAL A 116 74.024 1.973 4.572 1.00 0.00 H new ATOM 0 HA VAL A 116 71.798 1.227 6.428 1.00 0.00 H new ATOM 0 HB VAL A 116 73.029 -0.887 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.096 -1.356 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.662 -0.392 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.065 0.391 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.215 -1.076 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.194 0.673 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.291 0.086 6.603 1.00 0.00 H new ATOM 1328 N LYS A 117 73.012 1.336 8.618 1.00 0.00 N ATOM 1329 CA LYS A 117 73.657 1.714 9.907 1.00 0.00 C ATOM 1330 C LYS A 117 74.109 0.469 10.675 1.00 0.00 C ATOM 1331 O LYS A 117 73.487 -0.573 10.614 1.00 0.00 O ATOM 1332 CB LYS A 117 72.569 2.459 10.671 1.00 0.00 C ATOM 1333 CG LYS A 117 73.202 3.291 11.787 1.00 0.00 C ATOM 1334 CD LYS A 117 72.104 3.821 12.711 1.00 0.00 C ATOM 1335 CE LYS A 117 72.714 4.793 13.723 1.00 0.00 C ATOM 1336 NZ LYS A 117 73.149 3.935 14.861 1.00 0.00 N ATOM 0 H LYS A 117 72.125 0.840 8.704 1.00 0.00 H new ATOM 0 HA LYS A 117 74.551 2.321 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 117 72.013 3.106 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.856 1.750 11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.907 2.683 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 117 73.766 4.121 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.333 4.324 12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.621 2.994 13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 117 73.556 5.336 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.986 5.538 14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 73.579 4.529 15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 72.326 3.436 15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 73.847 3.241 14.525 1.00 0.00 H new ATOM 1350 N THR A 118 75.191 0.576 11.398 1.00 0.00 N ATOM 1351 CA THR A 118 75.697 -0.593 12.175 1.00 0.00 C ATOM 1352 C THR A 118 77.089 -0.287 12.735 1.00 0.00 C ATOM 1353 O THR A 118 77.496 -0.829 13.744 1.00 0.00 O ATOM 1354 CB THR A 118 75.766 -1.751 11.172 1.00 0.00 C ATOM 1355 OG1 THR A 118 76.636 -2.756 11.672 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.292 -1.246 9.828 1.00 0.00 C ATOM 0 H THR A 118 75.749 1.426 11.484 1.00 0.00 H new ATOM 0 HA THR A 118 75.053 -0.832 13.022 1.00 0.00 H new ATOM 0 HB THR A 118 74.767 -2.165 11.033 1.00 0.00 H new ATOM 0 HG1 THR A 118 76.497 -2.858 12.637 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.338 -2.074 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.624 -0.476 9.442 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.289 -0.827 9.962 1.00 0.00 H new ATOM 1364 N LYS A 119 77.824 0.576 12.088 1.00 0.00 N ATOM 1365 CA LYS A 119 79.190 0.913 12.581 1.00 0.00 C ATOM 1366 C LYS A 119 79.199 2.303 13.227 1.00 0.00 C ATOM 1367 O LYS A 119 79.283 2.437 14.431 1.00 0.00 O ATOM 1368 CB LYS A 119 80.074 0.897 11.335 1.00 0.00 C ATOM 1369 CG LYS A 119 81.489 1.344 11.709 1.00 0.00 C ATOM 1370 CD LYS A 119 82.507 0.504 10.935 1.00 0.00 C ATOM 1371 CE LYS A 119 82.611 -0.884 11.570 1.00 0.00 C ATOM 1372 NZ LYS A 119 84.071 -1.100 11.777 1.00 0.00 N ATOM 0 H LYS A 119 77.537 1.063 11.239 1.00 0.00 H new ATOM 0 HA LYS A 119 79.537 0.211 13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 119 80.099 -0.105 10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 119 79.661 1.559 10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 119 81.622 2.401 11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 119 81.647 1.230 12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 119 82.204 0.417 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 119 83.481 0.994 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 119 82.067 -0.929 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 119 82.186 -1.649 10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 84.226 -2.033 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 84.561 -1.058 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 84.446 -0.360 12.405 1.00 0.00 H new ATOM 1386 N PHE A 120 79.119 3.338 12.434 1.00 0.00 N ATOM 1387 CA PHE A 120 79.130 4.716 13.005 1.00 0.00 C ATOM 1388 C PHE A 120 78.306 5.664 12.130 1.00 0.00 C ATOM 1389 O PHE A 120 78.779 6.698 11.703 1.00 0.00 O ATOM 1390 CB PHE A 120 80.602 5.128 13.005 1.00 0.00 C ATOM 1391 CG PHE A 120 80.814 6.248 13.995 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.850 5.972 15.367 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.975 7.563 13.541 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.047 7.011 16.286 1.00 0.00 C ATOM 1395 CE2 PHE A 120 81.171 8.602 14.459 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.208 8.326 15.831 1.00 0.00 C ATOM 0 H PHE A 120 79.047 3.289 11.418 1.00 0.00 H new ATOM 0 HA PHE A 120 78.694 4.753 14.003 1.00 0.00 H new ATOM 0 HB2 PHE A 120 81.229 4.275 13.266 1.00 0.00 H new ATOM 0 HB3 PHE A 120 80.900 5.450 12.007 1.00 0.00 H new ATOM 0 HD1 PHE A 120 80.726 4.958 15.717 1.00 0.00 H new ATOM 0 HD2 PHE A 120 80.948 7.776 12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.075 6.798 17.344 1.00 0.00 H new ATOM 0 HE2 PHE A 120 81.294 9.616 14.109 1.00 0.00 H new ATOM 0 HZ PHE A 120 81.361 9.127 16.539 1.00 0.00 H new ATOM 1406 N GLY A 121 77.075 5.321 11.859 1.00 0.00 N ATOM 1407 CA GLY A 121 76.225 6.206 11.012 1.00 0.00 C ATOM 1408 C GLY A 121 75.632 5.391 9.862 1.00 0.00 C ATOM 1409 O GLY A 121 75.476 4.191 9.955 1.00 0.00 O ATOM 0 H GLY A 121 76.622 4.468 12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 121 75.427 6.644 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.819 7.031 10.619 1.00 0.00 H new ATOM 1413 N TYR A 122 75.304 6.034 8.774 1.00 0.00 N ATOM 1414 CA TYR A 122 74.724 5.292 7.615 1.00 0.00 C ATOM 1415 C TYR A 122 75.787 5.125 6.529 1.00 0.00 C ATOM 1416 O TYR A 122 76.119 6.062 5.834 1.00 0.00 O ATOM 1417 CB TYR A 122 73.584 6.177 7.106 1.00 0.00 C ATOM 1418 CG TYR A 122 72.390 6.041 8.019 1.00 0.00 C ATOM 1419 CD1 TYR A 122 72.510 6.340 9.380 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.161 5.616 7.501 1.00 0.00 C ATOM 1421 CE1 TYR A 122 71.400 6.215 10.225 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.052 5.491 8.345 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.171 5.790 9.707 1.00 0.00 C ATOM 1424 OH TYR A 122 69.077 5.667 10.539 1.00 0.00 O ATOM 0 H TYR A 122 75.412 7.039 8.637 1.00 0.00 H new ATOM 0 HA TYR A 122 74.375 4.297 7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.908 7.217 7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.312 5.889 6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 122 73.459 6.667 9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.069 5.385 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 122 71.492 6.446 11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.104 5.164 7.945 1.00 0.00 H new ATOM 0 HH TYR A 122 68.304 5.363 10.020 1.00 0.00 H new ATOM 1434 N HIS A 123 76.330 3.945 6.372 1.00 0.00 N ATOM 1435 CA HIS A 123 77.378 3.764 5.325 1.00 0.00 C ATOM 1436 C HIS A 123 76.798 3.098 4.081 1.00 0.00 C ATOM 1437 O HIS A 123 75.983 2.202 4.167 1.00 0.00 O ATOM 1438 CB HIS A 123 78.468 2.885 5.955 1.00 0.00 C ATOM 1439 CG HIS A 123 77.897 1.568 6.406 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.129 0.389 5.713 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.135 1.220 7.492 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.518 -0.603 6.386 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.897 -0.151 7.477 1.00 0.00 N ATOM 0 H HIS A 123 76.098 3.112 6.914 1.00 0.00 H new ATOM 0 HA HIS A 123 77.781 4.725 5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 123 79.265 2.712 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.914 3.403 6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.665 0.292 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.774 1.906 8.244 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.529 -1.639 6.080 1.00 0.00 H new ATOM 1451 N ILE A 124 77.232 3.520 2.924 1.00 0.00 N ATOM 1452 CA ILE A 124 76.725 2.907 1.665 1.00 0.00 C ATOM 1453 C ILE A 124 77.623 1.725 1.310 1.00 0.00 C ATOM 1454 O ILE A 124 78.801 1.881 1.055 1.00 0.00 O ATOM 1455 CB ILE A 124 76.830 4.011 0.608 1.00 0.00 C ATOM 1456 CG1 ILE A 124 75.968 5.210 1.024 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.342 3.480 -0.741 1.00 0.00 C ATOM 1458 CD1 ILE A 124 75.937 6.239 -0.112 1.00 0.00 C ATOM 0 H ILE A 124 77.917 4.265 2.797 1.00 0.00 H new ATOM 0 HA ILE A 124 75.702 2.540 1.744 1.00 0.00 H new ATOM 0 HB ILE A 124 77.870 4.325 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 124 74.956 4.880 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.371 5.664 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.418 4.267 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 124 76.957 2.632 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.303 3.162 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.324 7.090 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 124 76.951 6.578 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.514 5.781 -1.006 1.00 0.00 H new ATOM 1470 N ILE A 125 77.085 0.538 1.328 1.00 0.00 N ATOM 1471 CA ILE A 125 77.912 -0.658 1.030 1.00 0.00 C ATOM 1472 C ILE A 125 77.903 -0.977 -0.462 1.00 0.00 C ATOM 1473 O ILE A 125 76.902 -1.379 -1.022 1.00 0.00 O ATOM 1474 CB ILE A 125 77.251 -1.783 1.826 1.00 0.00 C ATOM 1475 CG1 ILE A 125 77.639 -1.667 3.301 1.00 0.00 C ATOM 1476 CG2 ILE A 125 77.712 -3.134 1.288 1.00 0.00 C ATOM 1477 CD1 ILE A 125 76.830 -2.677 4.117 1.00 0.00 C ATOM 0 H ILE A 125 76.105 0.347 1.537 1.00 0.00 H new ATOM 0 HA ILE A 125 78.958 -0.512 1.299 1.00 0.00 H new ATOM 0 HB ILE A 125 76.169 -1.702 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 125 78.706 -1.854 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.449 -0.656 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.239 -3.933 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.432 -3.222 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 125 78.795 -3.213 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.104 -2.597 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 125 75.766 -2.469 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.043 -3.685 3.762 1.00 0.00 H new ATOM 1489 N MET A 126 79.025 -0.823 -1.099 1.00 0.00 N ATOM 1490 CA MET A 126 79.119 -1.139 -2.547 1.00 0.00 C ATOM 1491 C MET A 126 80.208 -2.206 -2.734 1.00 0.00 C ATOM 1492 O MET A 126 81.381 -1.948 -2.557 1.00 0.00 O ATOM 1493 CB MET A 126 79.460 0.208 -3.217 1.00 0.00 C ATOM 1494 CG MET A 126 80.829 0.165 -3.900 1.00 0.00 C ATOM 1495 SD MET A 126 81.012 1.614 -4.969 1.00 0.00 S ATOM 1496 CE MET A 126 80.978 2.873 -3.667 1.00 0.00 C ATOM 0 H MET A 126 79.890 -0.488 -0.674 1.00 0.00 H new ATOM 0 HA MET A 126 78.210 -1.549 -2.986 1.00 0.00 H new ATOM 0 HB2 MET A 126 78.693 0.454 -3.952 1.00 0.00 H new ATOM 0 HB3 MET A 126 79.451 1.000 -2.469 1.00 0.00 H new ATOM 0 HG2 MET A 126 81.621 0.149 -3.151 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.927 -0.748 -4.487 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.389 3.806 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.950 3.035 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.575 2.536 -2.820 1.00 0.00 H new ATOM 1506 N VAL A 127 79.819 -3.411 -3.056 1.00 0.00 N ATOM 1507 CA VAL A 127 80.820 -4.507 -3.214 1.00 0.00 C ATOM 1508 C VAL A 127 81.331 -4.573 -4.651 1.00 0.00 C ATOM 1509 O VAL A 127 80.633 -4.231 -5.586 1.00 0.00 O ATOM 1510 CB VAL A 127 80.056 -5.782 -2.856 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.959 -6.996 -3.073 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.623 -5.724 -1.389 1.00 0.00 C ATOM 0 H VAL A 127 78.850 -3.684 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 127 81.696 -4.357 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 127 79.175 -5.867 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.414 -7.905 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.267 -7.039 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.841 -6.911 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.078 -6.633 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.504 -5.638 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.978 -4.859 -1.234 1.00 0.00 H new ATOM 1522 N GLU A 128 82.549 -5.007 -4.837 1.00 0.00 N ATOM 1523 CA GLU A 128 83.097 -5.086 -6.210 1.00 0.00 C ATOM 1524 C GLU A 128 84.053 -6.277 -6.356 1.00 0.00 C ATOM 1525 O GLU A 128 85.238 -6.192 -6.167 1.00 0.00 O ATOM 1526 CB GLU A 128 83.837 -3.763 -6.426 1.00 0.00 C ATOM 1527 CG GLU A 128 83.360 -3.118 -7.729 1.00 0.00 C ATOM 1528 CD GLU A 128 84.368 -2.056 -8.172 1.00 0.00 C ATOM 1529 OE1 GLU A 128 85.556 -2.319 -8.075 1.00 0.00 O ATOM 1530 OE2 GLU A 128 83.936 -0.999 -8.601 1.00 0.00 O ATOM 0 H GLU A 128 83.182 -5.308 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 128 82.310 -5.237 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.655 -3.091 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 128 84.912 -3.938 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.251 -3.877 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 128 82.379 -2.666 -7.585 1.00 0.00 H new ATOM 1537 N GLY A 129 83.524 -7.385 -6.715 1.00 0.00 N ATOM 1538 CA GLY A 129 84.367 -8.592 -6.932 1.00 0.00 C ATOM 1539 C GLY A 129 84.547 -9.378 -5.642 1.00 0.00 C ATOM 1540 O GLY A 129 85.156 -8.918 -4.697 1.00 0.00 O ATOM 0 H GLY A 129 82.526 -7.524 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.907 -9.229 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.342 -8.293 -7.318 1.00 0.00 H new ATOM 1544 N ARG A 130 84.040 -10.575 -5.608 1.00 0.00 N ATOM 1545 CA ARG A 130 84.202 -11.409 -4.393 1.00 0.00 C ATOM 1546 C ARG A 130 84.521 -12.852 -4.795 1.00 0.00 C ATOM 1547 O ARG A 130 84.314 -13.256 -5.922 1.00 0.00 O ATOM 1548 CB ARG A 130 82.860 -11.307 -3.659 1.00 0.00 C ATOM 1549 CG ARG A 130 82.531 -12.615 -2.927 1.00 0.00 C ATOM 1550 CD ARG A 130 81.935 -13.620 -3.915 1.00 0.00 C ATOM 1551 NE ARG A 130 80.976 -14.425 -3.107 1.00 0.00 N ATOM 1552 CZ ARG A 130 79.906 -14.921 -3.665 1.00 0.00 C ATOM 1553 NH1 ARG A 130 80.017 -15.771 -4.650 1.00 0.00 N ATOM 1554 NH2 ARG A 130 78.725 -14.570 -3.237 1.00 0.00 N ATOM 0 H ARG A 130 83.520 -11.011 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 130 85.022 -11.078 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.894 -10.485 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.068 -11.076 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 130 83.433 -13.027 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.826 -12.423 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 130 81.431 -13.114 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 130 82.709 -14.250 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 130 81.156 -14.588 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 130 80.940 -16.047 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 130 79.180 -16.159 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 130 78.638 -13.908 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 130 77.888 -14.958 -3.673 1.00 0.00 H new ATOM 1568 N LYS A 131 85.026 -13.627 -3.879 1.00 0.00 N ATOM 1569 CA LYS A 131 85.362 -15.044 -4.203 1.00 0.00 C ATOM 1570 C LYS A 131 85.705 -15.811 -2.924 1.00 0.00 C ATOM 1571 O LYS A 131 85.863 -17.017 -3.004 1.00 0.00 O ATOM 1572 CB LYS A 131 86.579 -14.965 -5.129 1.00 0.00 C ATOM 1573 CG LYS A 131 87.566 -13.921 -4.599 1.00 0.00 C ATOM 1574 CD LYS A 131 88.171 -14.413 -3.284 1.00 0.00 C ATOM 1575 CE LYS A 131 89.675 -14.145 -3.287 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.882 -13.116 -2.228 1.00 0.00 N ATOM 1577 OXT LYS A 131 85.802 -15.177 -1.886 1.00 0.00 O ATOM 0 H LYS A 131 85.222 -13.343 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 131 84.530 -15.568 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 131 87.064 -15.939 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.263 -14.701 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 131 88.354 -13.745 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 131 87.057 -12.970 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 131 87.701 -13.905 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 131 87.980 -15.479 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 131 90.239 -15.053 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 131 90.010 -13.785 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.895 -12.890 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.352 -12.255 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 89.544 -13.484 -1.316 1.00 0.00 H new TER 1591 LYS A 131