USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 LYS NZ :NH3+ -135:sc= 1.73 (180deg=-0.0192) USER MOD Set 1.2: A 41 TYR OH : rot -127:sc= 1.25 USER MOD Set 2.1: A 22 GLN :FLIP amide:sc= -0.564 F(o=-3.1,f=-1.4) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -0.789 F(o=-3.4!,f=-1.4) USER MOD Set 3.1: A 23 SER OG : rot -4:sc= 2.19 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0721 (180deg=-0.149) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 160:sc= -1.5! USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0386 F(o=-1.1,f=-0.039) USER MOD Single : A 10 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.03) USER MOD Single : A 17 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1.8) USER MOD Single : A 27 ASN : amide:sc= -0.315 K(o=-0.31,f=-9.4!) USER MOD Single : A 28 MET CE :methyl 160:sc= -0.113 (180deg=-0.581) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 73:sc= 0.923 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -23:sc= 0.283 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.0002) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.09) USER MOD Single : A 64 THR OG1 : rot -109:sc= 0.359 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.996! K(o=-1!,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc=-0.00564 (180deg=-0.0908) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= -0.0266 (180deg=-0.152) USER MOD Single : A 79 SER OG : rot -170:sc= -0.132 USER MOD Single : A 81 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.12) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.07) USER MOD Single : A 88 HIS : no HE2:sc= -0.938 K(o=-0.94,f=-1.6) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 90 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.973 -2.395 -2.548 1.00 54.43 N ATOM 2 CA MET A 1 4.281 -2.470 -1.836 1.00 10.11 C ATOM 3 C MET A 1 4.495 -3.861 -1.205 1.00 23.43 C ATOM 4 O MET A 1 3.832 -4.828 -1.585 1.00 52.24 O ATOM 5 CB MET A 1 4.359 -1.376 -0.759 1.00 72.04 C ATOM 6 CG MET A 1 4.351 0.039 -1.324 1.00 52.14 C ATOM 7 SD MET A 1 4.455 1.303 -0.041 1.00 32.04 S ATOM 8 CE MET A 1 4.497 2.794 -1.037 1.00 22.23 C ATOM 0 H1 MET A 1 3.104 -1.923 -3.465 1.00 54.43 H new ATOM 0 H2 MET A 1 2.606 -3.356 -2.702 1.00 54.43 H new ATOM 0 H3 MET A 1 2.296 -1.854 -1.974 1.00 54.43 H new ATOM 0 HA MET A 1 5.075 -2.309 -2.566 1.00 10.11 H new ATOM 0 HB2 MET A 1 3.517 -1.490 -0.076 1.00 72.04 H new ATOM 0 HB3 MET A 1 5.267 -1.519 -0.173 1.00 72.04 H new ATOM 0 HG2 MET A 1 5.189 0.156 -2.012 1.00 52.14 H new ATOM 0 HG3 MET A 1 3.440 0.189 -1.903 1.00 52.14 H new ATOM 0 HE1 MET A 1 4.561 3.665 -0.385 1.00 22.23 H new ATOM 0 HE2 MET A 1 5.366 2.768 -1.695 1.00 22.23 H new ATOM 0 HE3 MET A 1 3.589 2.856 -1.637 1.00 22.23 H new ATOM 20 N THR A 2 5.430 -3.956 -0.255 1.00 61.14 N ATOM 21 CA THR A 2 5.770 -5.233 0.401 1.00 32.32 C ATOM 22 C THR A 2 4.555 -5.913 1.057 1.00 13.52 C ATOM 23 O THR A 2 3.620 -5.253 1.511 1.00 21.23 O ATOM 24 CB THR A 2 6.869 -5.037 1.478 1.00 32.40 C ATOM 25 OG1 THR A 2 6.463 -4.036 2.424 1.00 24.34 O ATOM 26 CG2 THR A 2 8.196 -4.630 0.842 1.00 54.42 C ATOM 0 H THR A 2 5.971 -3.160 0.082 1.00 61.14 H new ATOM 0 HA THR A 2 6.137 -5.881 -0.395 1.00 32.32 H new ATOM 0 HB THR A 2 7.008 -5.988 1.992 1.00 32.40 H new ATOM 0 HG1 THR A 2 7.163 -3.922 3.100 1.00 24.34 H new ATOM 0 HG21 THR A 2 8.948 -4.500 1.620 1.00 54.42 H new ATOM 0 HG22 THR A 2 8.521 -5.407 0.150 1.00 54.42 H new ATOM 0 HG23 THR A 2 8.068 -3.693 0.301 1.00 54.42 H new ATOM 34 N ALA A 3 4.581 -7.246 1.094 1.00 22.13 N ATOM 35 CA ALA A 3 3.501 -8.038 1.698 1.00 34.52 C ATOM 36 C ALA A 3 3.840 -8.449 3.140 1.00 25.14 C ATOM 37 O ALA A 3 2.949 -8.704 3.956 1.00 51.30 O ATOM 38 CB ALA A 3 3.226 -9.274 0.850 1.00 54.40 C ATOM 0 H ALA A 3 5.343 -7.806 0.711 1.00 22.13 H new ATOM 0 HA ALA A 3 2.607 -7.416 1.732 1.00 34.52 H new ATOM 0 HB1 ALA A 3 2.424 -9.856 1.304 1.00 54.40 H new ATOM 0 HB2 ALA A 3 2.929 -8.968 -0.153 1.00 54.40 H new ATOM 0 HB3 ALA A 3 4.128 -9.883 0.791 1.00 54.40 H new ATOM 44 N ALA A 4 5.134 -8.523 3.443 1.00 64.43 N ATOM 45 CA ALA A 4 5.606 -8.880 4.783 1.00 13.14 C ATOM 46 C ALA A 4 6.739 -7.944 5.240 1.00 34.44 C ATOM 47 O ALA A 4 7.841 -7.991 4.696 1.00 35.21 O ATOM 48 CB ALA A 4 6.075 -10.333 4.804 1.00 65.23 C ATOM 0 H ALA A 4 5.882 -8.339 2.774 1.00 64.43 H new ATOM 0 HA ALA A 4 4.775 -8.765 5.479 1.00 13.14 H new ATOM 0 HB1 ALA A 4 6.424 -10.588 5.805 1.00 65.23 H new ATOM 0 HB2 ALA A 4 5.247 -10.987 4.531 1.00 65.23 H new ATOM 0 HB3 ALA A 4 6.890 -10.463 4.092 1.00 65.23 H new ATOM 54 N PRO A 5 6.480 -7.072 6.238 1.00 41.22 N ATOM 55 CA PRO A 5 7.496 -6.137 6.764 1.00 15.50 C ATOM 56 C PRO A 5 8.809 -6.829 7.175 1.00 21.10 C ATOM 57 O PRO A 5 9.895 -6.283 6.970 1.00 75.10 O ATOM 58 CB PRO A 5 6.807 -5.521 7.991 1.00 13.53 C ATOM 59 CG PRO A 5 5.349 -5.633 7.702 1.00 53.04 C ATOM 60 CD PRO A 5 5.179 -6.910 6.918 1.00 25.21 C ATOM 0 HA PRO A 5 7.798 -5.412 6.008 1.00 15.50 H new ATOM 0 HB2 PRO A 5 7.072 -6.055 8.904 1.00 13.53 H new ATOM 0 HB3 PRO A 5 7.104 -4.482 8.132 1.00 13.53 H new ATOM 0 HG2 PRO A 5 4.769 -5.661 8.625 1.00 53.04 H new ATOM 0 HG3 PRO A 5 4.997 -4.774 7.130 1.00 53.04 H new ATOM 0 HD2 PRO A 5 4.959 -7.755 7.570 1.00 25.21 H new ATOM 0 HD3 PRO A 5 4.359 -6.836 6.204 1.00 25.21 H new ATOM 68 N ALA A 6 8.692 -8.027 7.760 1.00 63.41 N ATOM 69 CA ALA A 6 9.851 -8.819 8.213 1.00 30.20 C ATOM 70 C ALA A 6 10.535 -8.198 9.445 1.00 73.12 C ATOM 71 O ALA A 6 10.637 -8.835 10.493 1.00 1.51 O ATOM 72 CB ALA A 6 10.857 -9.023 7.079 1.00 32.11 C ATOM 0 H ALA A 6 7.794 -8.478 7.934 1.00 63.41 H new ATOM 0 HA ALA A 6 9.469 -9.795 8.513 1.00 30.20 H new ATOM 0 HB1 ALA A 6 11.701 -9.610 7.442 1.00 32.11 H new ATOM 0 HB2 ALA A 6 10.375 -9.551 6.256 1.00 32.11 H new ATOM 0 HB3 ALA A 6 11.213 -8.054 6.730 1.00 32.11 H new ATOM 78 N SER A 7 11.013 -6.960 9.316 1.00 54.23 N ATOM 79 CA SER A 7 11.660 -6.257 10.434 1.00 30.33 C ATOM 80 C SER A 7 10.710 -5.244 11.103 1.00 22.03 C ATOM 81 O SER A 7 10.155 -4.368 10.441 1.00 62.24 O ATOM 82 CB SER A 7 12.923 -5.535 9.958 1.00 75.15 C ATOM 83 OG SER A 7 13.548 -4.846 11.029 1.00 3.23 O ATOM 0 H SER A 7 10.966 -6.421 8.452 1.00 54.23 H new ATOM 0 HA SER A 7 11.928 -7.012 11.173 1.00 30.33 H new ATOM 0 HB2 SER A 7 13.619 -6.256 9.529 1.00 75.15 H new ATOM 0 HB3 SER A 7 12.667 -4.830 9.167 1.00 75.15 H new ATOM 0 HG SER A 7 14.485 -4.669 10.802 1.00 3.23 H new ATOM 89 N PRO A 8 10.529 -5.346 12.436 1.00 53.33 N ATOM 90 CA PRO A 8 9.635 -4.452 13.213 1.00 25.53 C ATOM 91 C PRO A 8 9.932 -2.946 13.050 1.00 21.31 C ATOM 92 O PRO A 8 9.042 -2.111 13.217 1.00 33.11 O ATOM 93 CB PRO A 8 9.883 -4.887 14.663 1.00 25.54 C ATOM 94 CG PRO A 8 10.342 -6.300 14.557 1.00 13.14 C ATOM 95 CD PRO A 8 11.168 -6.358 13.303 1.00 31.31 C ATOM 0 HA PRO A 8 8.604 -4.549 12.872 1.00 25.53 H new ATOM 0 HB2 PRO A 8 10.635 -4.260 15.142 1.00 25.54 H new ATOM 0 HB3 PRO A 8 8.975 -4.809 15.261 1.00 25.54 H new ATOM 0 HG2 PRO A 8 10.930 -6.589 15.428 1.00 13.14 H new ATOM 0 HG3 PRO A 8 9.496 -6.985 14.502 1.00 13.14 H new ATOM 0 HD2 PRO A 8 12.214 -6.120 13.497 1.00 31.31 H new ATOM 0 HD3 PRO A 8 11.145 -7.349 12.850 1.00 31.31 H new ATOM 103 N GLN A 9 11.175 -2.606 12.714 1.00 14.24 N ATOM 104 CA GLN A 9 11.627 -1.204 12.690 1.00 65.32 C ATOM 105 C GLN A 9 10.815 -0.332 11.711 1.00 13.41 C ATOM 106 O GLN A 9 10.436 0.794 12.035 1.00 70.51 O ATOM 107 CB GLN A 9 13.115 -1.159 12.314 1.00 72.22 C ATOM 108 CG GLN A 9 13.436 -1.787 10.959 1.00 3.40 C ATOM 109 CD GLN A 9 14.929 -1.916 10.692 1.00 12.30 C ATOM 110 OE1 GLN A 9 15.703 -2.182 11.727 1.00 64.24 O flip ATOM 111 NE2 GLN A 9 15.378 -1.805 9.555 1.00 22.54 N flip ATOM 0 H GLN A 9 11.894 -3.280 12.453 1.00 14.24 H new ATOM 0 HA GLN A 9 11.470 -0.792 13.687 1.00 65.32 H new ATOM 0 HB2 GLN A 9 13.446 -0.120 12.308 1.00 72.22 H new ATOM 0 HB3 GLN A 9 13.689 -1.672 13.085 1.00 72.22 H new ATOM 0 HG2 GLN A 9 12.978 -2.775 10.907 1.00 3.40 H new ATOM 0 HG3 GLN A 9 12.984 -1.184 10.171 1.00 3.40 H new ATOM 0 HE21 GLN A 9 14.751 -1.599 8.777 1.00 22.54 H new ATOM 0 HE22 GLN A 9 16.378 -1.919 9.388 1.00 22.54 H new ATOM 120 N GLN A 10 10.540 -0.866 10.527 1.00 50.24 N ATOM 121 CA GLN A 10 9.789 -0.139 9.492 1.00 12.40 C ATOM 122 C GLN A 10 8.319 0.072 9.891 1.00 40.54 C ATOM 123 O GLN A 10 7.685 1.045 9.477 1.00 10.04 O ATOM 124 CB GLN A 10 9.899 -0.867 8.147 1.00 11.13 C ATOM 125 CG GLN A 10 9.522 -2.340 8.206 1.00 3.11 C ATOM 126 CD GLN A 10 10.028 -3.113 7.004 1.00 14.25 C ATOM 127 OE1 GLN A 10 9.344 -3.245 5.996 1.00 51.15 O ATOM 128 NE2 GLN A 10 11.244 -3.613 7.100 1.00 40.23 N ATOM 0 H GLN A 10 10.825 -1.806 10.252 1.00 50.24 H new ATOM 0 HA GLN A 10 10.234 0.851 9.390 1.00 12.40 H new ATOM 0 HB2 GLN A 10 9.257 -0.367 7.422 1.00 11.13 H new ATOM 0 HB3 GLN A 10 10.922 -0.779 7.781 1.00 11.13 H new ATOM 0 HG2 GLN A 10 9.929 -2.781 9.116 1.00 3.11 H new ATOM 0 HG3 GLN A 10 8.438 -2.433 8.265 1.00 3.11 H new ATOM 0 HE21 GLN A 10 11.783 -3.482 7.956 1.00 40.23 H new ATOM 0 HE22 GLN A 10 11.646 -4.131 6.318 1.00 40.23 H new ATOM 137 N ILE A 11 7.781 -0.846 10.694 1.00 74.04 N ATOM 138 CA ILE A 11 6.384 -0.758 11.142 1.00 45.13 C ATOM 139 C ILE A 11 6.135 0.545 11.924 1.00 10.32 C ATOM 140 O ILE A 11 5.051 1.129 11.847 1.00 25.51 O ATOM 141 CB ILE A 11 5.994 -1.976 12.022 1.00 44.42 C ATOM 142 CG1 ILE A 11 6.215 -3.289 11.248 1.00 61.21 C ATOM 143 CG2 ILE A 11 4.540 -1.864 12.491 1.00 63.42 C ATOM 144 CD1 ILE A 11 5.902 -4.540 12.048 1.00 33.12 C ATOM 0 H ILE A 11 8.286 -1.658 11.049 1.00 74.04 H new ATOM 0 HA ILE A 11 5.760 -0.760 10.248 1.00 45.13 H new ATOM 0 HB ILE A 11 6.635 -1.982 12.904 1.00 44.42 H new ATOM 0 HG12 ILE A 11 5.594 -3.279 10.352 1.00 61.21 H new ATOM 0 HG13 ILE A 11 7.252 -3.333 10.917 1.00 61.21 H new ATOM 0 HG21 ILE A 11 4.288 -2.728 13.106 1.00 63.42 H new ATOM 0 HG22 ILE A 11 4.416 -0.953 13.077 1.00 63.42 H new ATOM 0 HG23 ILE A 11 3.880 -1.831 11.624 1.00 63.42 H new ATOM 0 HD11 ILE A 11 6.083 -5.421 11.432 1.00 33.12 H new ATOM 0 HD12 ILE A 11 6.541 -4.577 12.930 1.00 33.12 H new ATOM 0 HD13 ILE A 11 4.857 -4.522 12.357 1.00 33.12 H new ATOM 156 N ARG A 12 7.150 1.002 12.664 1.00 64.04 N ATOM 157 CA ARG A 12 7.063 2.268 13.406 1.00 30.51 C ATOM 158 C ARG A 12 6.736 3.441 12.466 1.00 72.22 C ATOM 159 O ARG A 12 5.842 4.242 12.745 1.00 55.42 O ATOM 160 CB ARG A 12 8.389 2.544 14.131 1.00 22.11 C ATOM 161 CG ARG A 12 8.393 3.830 14.957 1.00 21.21 C ATOM 162 CD ARG A 12 9.774 4.122 15.537 1.00 14.03 C ATOM 163 NE ARG A 12 9.785 5.336 16.356 1.00 41.14 N ATOM 164 CZ ARG A 12 10.839 6.096 16.535 1.00 64.21 C ATOM 165 NH1 ARG A 12 11.955 5.835 15.930 1.00 23.24 N1+ ATOM 166 NH2 ARG A 12 10.769 7.131 17.308 1.00 74.21 N ATOM 0 H ARG A 12 8.041 0.516 12.766 1.00 64.04 H new ATOM 0 HA ARG A 12 6.259 2.176 14.136 1.00 30.51 H new ATOM 0 HB2 ARG A 12 8.614 1.703 14.787 1.00 22.11 H new ATOM 0 HB3 ARG A 12 9.190 2.596 13.393 1.00 22.11 H new ATOM 0 HG2 ARG A 12 8.076 4.665 14.332 1.00 21.21 H new ATOM 0 HG3 ARG A 12 7.668 3.745 15.767 1.00 21.21 H new ATOM 0 HD2 ARG A 12 10.099 3.275 16.141 1.00 14.03 H new ATOM 0 HD3 ARG A 12 10.493 4.228 14.724 1.00 14.03 H new ATOM 0 HE ARG A 12 8.917 5.608 16.817 1.00 41.14 H new ATOM 0 HH11 ARG A 12 12.021 5.031 15.306 1.00 23.24 H new ATOM 0 HH12 ARG A 12 12.767 6.434 16.078 1.00 23.24 H new ATOM 0 HH21 ARG A 12 9.893 7.357 17.779 1.00 74.21 H new ATOM 0 HH22 ARG A 12 11.590 7.721 17.446 1.00 74.21 H new ATOM 180 N ASP A 13 7.454 3.518 11.344 1.00 72.22 N ATOM 181 CA ASP A 13 7.212 4.548 10.328 1.00 54.43 C ATOM 182 C ASP A 13 5.763 4.488 9.815 1.00 54.04 C ATOM 183 O ASP A 13 5.087 5.514 9.693 1.00 33.54 O ATOM 184 CB ASP A 13 8.196 4.369 9.163 1.00 72.13 C ATOM 185 CG ASP A 13 7.973 5.369 8.042 1.00 61.22 C ATOM 186 OD1 ASP A 13 7.448 4.976 6.979 1.00 14.23 O ATOM 187 OD2 ASP A 13 8.319 6.556 8.222 1.00 41.25 O1- ATOM 0 H ASP A 13 8.212 2.876 11.114 1.00 72.22 H new ATOM 0 HA ASP A 13 7.367 5.526 10.784 1.00 54.43 H new ATOM 0 HB2 ASP A 13 9.215 4.470 9.536 1.00 72.13 H new ATOM 0 HB3 ASP A 13 8.101 3.358 8.766 1.00 72.13 H new ATOM 192 N ARG A 14 5.299 3.274 9.530 1.00 41.00 N ATOM 193 CA ARG A 14 3.928 3.049 9.056 1.00 22.11 C ATOM 194 C ARG A 14 2.898 3.466 10.124 1.00 55.24 C ATOM 195 O ARG A 14 1.826 3.971 9.805 1.00 4.22 O ATOM 196 CB ARG A 14 3.746 1.566 8.687 1.00 41.31 C ATOM 197 CG ARG A 14 2.466 1.261 7.910 1.00 43.03 C ATOM 198 CD ARG A 14 2.398 -0.207 7.494 1.00 34.22 C ATOM 199 NE ARG A 14 1.332 -0.457 6.524 1.00 60.33 N ATOM 200 CZ ARG A 14 1.109 -1.614 5.957 1.00 34.42 C ATOM 201 NH1 ARG A 14 1.811 -2.655 6.282 1.00 31.42 N1+ ATOM 202 NH2 ARG A 14 0.176 -1.725 5.069 1.00 20.34 N ATOM 0 H ARG A 14 5.854 2.423 9.619 1.00 41.00 H new ATOM 0 HA ARG A 14 3.760 3.664 8.172 1.00 22.11 H new ATOM 0 HB2 ARG A 14 4.602 1.244 8.094 1.00 41.31 H new ATOM 0 HB3 ARG A 14 3.751 0.973 9.602 1.00 41.31 H new ATOM 0 HG2 ARG A 14 1.600 1.506 8.524 1.00 43.03 H new ATOM 0 HG3 ARG A 14 2.418 1.894 7.024 1.00 43.03 H new ATOM 0 HD2 ARG A 14 3.355 -0.506 7.065 1.00 34.22 H new ATOM 0 HD3 ARG A 14 2.237 -0.826 8.377 1.00 34.22 H new ATOM 0 HE ARG A 14 0.723 0.322 6.274 1.00 60.33 H new ATOM 0 HH11 ARG A 14 2.545 -2.576 6.986 1.00 31.42 H new ATOM 0 HH12 ARG A 14 1.629 -3.553 5.834 1.00 31.42 H new ATOM 0 HH21 ARG A 14 -0.383 -0.912 4.813 1.00 20.34 H new ATOM 0 HH22 ARG A 14 -0.001 -2.626 4.625 1.00 20.34 H new ATOM 216 N LEU A 15 3.240 3.255 11.392 1.00 74.30 N ATOM 217 CA LEU A 15 2.362 3.621 12.513 1.00 5.53 C ATOM 218 C LEU A 15 2.237 5.153 12.642 1.00 13.35 C ATOM 219 O LEU A 15 1.134 5.700 12.694 1.00 30.21 O ATOM 220 CB LEU A 15 2.921 3.013 13.820 1.00 0.12 C ATOM 221 CG LEU A 15 1.938 2.875 15.004 1.00 74.13 C ATOM 222 CD1 LEU A 15 2.589 2.098 16.141 1.00 52.43 C ATOM 223 CD2 LEU A 15 1.464 4.234 15.516 1.00 24.40 C ATOM 0 H LEU A 15 4.123 2.830 11.676 1.00 74.30 H new ATOM 0 HA LEU A 15 1.365 3.222 12.324 1.00 5.53 H new ATOM 0 HB2 LEU A 15 3.317 2.024 13.591 1.00 0.12 H new ATOM 0 HB3 LEU A 15 3.761 3.625 14.147 1.00 0.12 H new ATOM 0 HG LEU A 15 1.066 2.332 14.639 1.00 74.13 H new ATOM 0 HD11 LEU A 15 1.886 2.008 16.969 1.00 52.43 H new ATOM 0 HD12 LEU A 15 2.866 1.104 15.790 1.00 52.43 H new ATOM 0 HD13 LEU A 15 3.481 2.626 16.478 1.00 52.43 H new ATOM 0 HD21 LEU A 15 0.775 4.089 16.348 1.00 24.40 H new ATOM 0 HD22 LEU A 15 2.322 4.815 15.853 1.00 24.40 H new ATOM 0 HD23 LEU A 15 0.956 4.768 14.713 1.00 24.40 H new ATOM 235 N LEU A 16 3.383 5.837 12.654 1.00 1.22 N ATOM 236 CA LEU A 16 3.442 7.281 12.948 1.00 10.23 C ATOM 237 C LEU A 16 2.542 8.119 12.023 1.00 61.45 C ATOM 238 O LEU A 16 1.896 9.068 12.469 1.00 3.24 O ATOM 239 CB LEU A 16 4.892 7.785 12.849 1.00 65.30 C ATOM 240 CG LEU A 16 5.878 7.164 13.852 1.00 70.14 C ATOM 241 CD1 LEU A 16 7.293 7.691 13.619 1.00 3.02 C ATOM 242 CD2 LEU A 16 5.430 7.436 15.287 1.00 24.12 C ATOM 0 H LEU A 16 4.292 5.415 12.463 1.00 1.22 H new ATOM 0 HA LEU A 16 3.069 7.407 13.964 1.00 10.23 H new ATOM 0 HB2 LEU A 16 5.257 7.592 11.840 1.00 65.30 H new ATOM 0 HB3 LEU A 16 4.893 8.866 12.987 1.00 65.30 H new ATOM 0 HG LEU A 16 5.888 6.085 13.696 1.00 70.14 H new ATOM 0 HD11 LEU A 16 7.973 7.238 14.340 1.00 3.02 H new ATOM 0 HD12 LEU A 16 7.614 7.438 12.609 1.00 3.02 H new ATOM 0 HD13 LEU A 16 7.303 8.774 13.742 1.00 3.02 H new ATOM 0 HD21 LEU A 16 6.141 6.988 15.981 1.00 24.12 H new ATOM 0 HD22 LEU A 16 5.386 8.512 15.457 1.00 24.12 H new ATOM 0 HD23 LEU A 16 4.443 7.002 15.448 1.00 24.12 H new ATOM 254 N GLN A 17 2.498 7.766 10.742 1.00 51.13 N ATOM 255 CA GLN A 17 1.719 8.528 9.756 1.00 25.03 C ATOM 256 C GLN A 17 0.200 8.304 9.911 1.00 23.53 C ATOM 257 O GLN A 17 -0.607 9.075 9.384 1.00 62.32 O ATOM 258 CB GLN A 17 2.190 8.174 8.331 1.00 14.32 C ATOM 259 CG GLN A 17 2.086 6.689 7.966 1.00 52.12 C ATOM 260 CD GLN A 17 0.684 6.262 7.550 1.00 72.51 C ATOM 261 OE1 GLN A 17 -0.081 7.043 6.998 1.00 63.02 O ATOM 262 NE2 GLN A 17 0.335 5.021 7.806 1.00 4.23 N ATOM 0 H GLN A 17 2.990 6.959 10.357 1.00 51.13 H new ATOM 0 HA GLN A 17 1.896 9.588 9.937 1.00 25.03 H new ATOM 0 HB2 GLN A 17 1.603 8.751 7.616 1.00 14.32 H new ATOM 0 HB3 GLN A 17 3.227 8.489 8.218 1.00 14.32 H new ATOM 0 HG2 GLN A 17 2.779 6.474 7.153 1.00 52.12 H new ATOM 0 HG3 GLN A 17 2.401 6.090 8.820 1.00 52.12 H new ATOM 0 HE21 GLN A 17 0.992 4.391 8.267 1.00 4.23 H new ATOM 0 HE22 GLN A 17 -0.593 4.688 7.544 1.00 4.23 H new ATOM 271 N ALA A 18 -0.181 7.262 10.650 1.00 74.04 N ATOM 272 CA ALA A 18 -1.595 6.896 10.819 1.00 35.41 C ATOM 273 C ALA A 18 -2.249 7.603 12.021 1.00 24.34 C ATOM 274 O ALA A 18 -3.476 7.723 12.091 1.00 72.04 O ATOM 275 CB ALA A 18 -1.718 5.384 10.966 1.00 21.30 C ATOM 0 H ALA A 18 0.470 6.652 11.145 1.00 74.04 H new ATOM 0 HA ALA A 18 -2.128 7.228 9.928 1.00 35.41 H new ATOM 0 HB1 ALA A 18 -2.767 5.115 11.091 1.00 21.30 H new ATOM 0 HB2 ALA A 18 -1.323 4.898 10.074 1.00 21.30 H new ATOM 0 HB3 ALA A 18 -1.153 5.056 11.838 1.00 21.30 H new ATOM 281 N ILE A 19 -1.433 8.070 12.966 1.00 51.41 N ATOM 282 CA ILE A 19 -1.947 8.738 14.172 1.00 15.31 C ATOM 283 C ILE A 19 -1.380 10.158 14.329 1.00 54.42 C ATOM 284 O ILE A 19 -0.424 10.545 13.652 1.00 1.23 O ATOM 285 CB ILE A 19 -1.611 7.939 15.457 1.00 74.42 C ATOM 286 CG1 ILE A 19 -0.088 7.865 15.662 1.00 65.43 C ATOM 287 CG2 ILE A 19 -2.221 6.537 15.395 1.00 20.32 C ATOM 288 CD1 ILE A 19 0.326 7.249 16.982 1.00 43.12 C ATOM 0 H ILE A 19 -0.416 8.001 12.925 1.00 51.41 H new ATOM 0 HA ILE A 19 -3.028 8.791 14.043 1.00 15.31 H new ATOM 0 HB ILE A 19 -2.045 8.459 16.311 1.00 74.42 H new ATOM 0 HG12 ILE A 19 0.350 7.286 14.849 1.00 65.43 H new ATOM 0 HG13 ILE A 19 0.327 8.871 15.596 1.00 65.43 H new ATOM 0 HG21 ILE A 19 -1.974 5.992 16.306 1.00 20.32 H new ATOM 0 HG22 ILE A 19 -3.304 6.615 15.302 1.00 20.32 H new ATOM 0 HG23 ILE A 19 -1.820 6.004 14.533 1.00 20.32 H new ATOM 0 HD11 ILE A 19 1.414 7.233 17.051 1.00 43.12 H new ATOM 0 HD12 ILE A 19 -0.081 7.840 17.803 1.00 43.12 H new ATOM 0 HD13 ILE A 19 -0.057 6.230 17.044 1.00 43.12 H new ATOM 300 N ASP A 20 -1.991 10.938 15.218 1.00 34.21 N ATOM 301 CA ASP A 20 -1.448 12.242 15.605 1.00 64.11 C ATOM 302 C ASP A 20 -0.432 12.078 16.751 1.00 61.54 C ATOM 303 O ASP A 20 -0.541 11.139 17.537 1.00 63.42 O ATOM 304 CB ASP A 20 -2.581 13.182 16.030 1.00 43.33 C ATOM 305 CG ASP A 20 -3.591 13.401 14.923 1.00 30.34 C ATOM 306 OD1 ASP A 20 -4.729 12.905 15.039 1.00 62.45 O ATOM 307 OD2 ASP A 20 -3.241 14.067 13.925 1.00 13.34 O1- ATOM 0 H ASP A 20 -2.863 10.691 15.685 1.00 34.21 H new ATOM 0 HA ASP A 20 -0.937 12.677 14.746 1.00 64.11 H new ATOM 0 HB2 ASP A 20 -3.086 12.768 16.903 1.00 43.33 H new ATOM 0 HB3 ASP A 20 -2.161 14.142 16.331 1.00 43.33 H new ATOM 312 N PRO A 21 0.561 12.990 16.872 1.00 71.33 N ATOM 313 CA PRO A 21 1.628 12.889 17.897 1.00 74.11 C ATOM 314 C PRO A 21 1.112 12.616 19.326 1.00 74.13 C ATOM 315 O PRO A 21 1.807 12.010 20.143 1.00 54.33 O ATOM 316 CB PRO A 21 2.300 14.265 17.825 1.00 10.31 C ATOM 317 CG PRO A 21 2.097 14.706 16.415 1.00 11.14 C ATOM 318 CD PRO A 21 0.741 14.181 16.012 1.00 13.23 C ATOM 0 HA PRO A 21 2.287 12.044 17.696 1.00 74.11 H new ATOM 0 HB2 PRO A 21 1.849 14.965 18.529 1.00 10.31 H new ATOM 0 HB3 PRO A 21 3.360 14.203 18.073 1.00 10.31 H new ATOM 0 HG2 PRO A 21 2.135 15.792 16.336 1.00 11.14 H new ATOM 0 HG3 PRO A 21 2.878 14.311 15.765 1.00 11.14 H new ATOM 0 HD2 PRO A 21 -0.042 14.920 16.181 1.00 13.23 H new ATOM 0 HD3 PRO A 21 0.710 13.920 14.954 1.00 13.23 H new ATOM 326 N GLN A 22 -0.114 13.049 19.620 1.00 72.04 N ATOM 327 CA GLN A 22 -0.722 12.825 20.942 1.00 14.22 C ATOM 328 C GLN A 22 -1.606 11.558 20.940 1.00 35.31 C ATOM 329 O GLN A 22 -2.548 11.445 21.716 1.00 21.35 O ATOM 330 CB GLN A 22 -1.523 14.070 21.380 1.00 25.13 C ATOM 331 CG GLN A 22 -1.308 14.465 22.849 1.00 71.21 C ATOM 332 CD GLN A 22 -2.021 13.562 23.854 1.00 61.04 C ATOM 333 OE1 GLN A 22 -3.224 13.135 23.531 1.00 44.43 O flip ATOM 334 NE2 GLN A 22 -1.513 13.294 24.940 1.00 31.52 N flip ATOM 0 H GLN A 22 -0.709 13.557 18.965 1.00 72.04 H new ATOM 0 HA GLN A 22 0.076 12.662 21.666 1.00 14.22 H new ATOM 0 HB2 GLN A 22 -1.245 14.910 20.744 1.00 25.13 H new ATOM 0 HB3 GLN A 22 -2.584 13.883 21.216 1.00 25.13 H new ATOM 0 HG2 GLN A 22 -0.239 14.454 23.063 1.00 71.21 H new ATOM 0 HG3 GLN A 22 -1.651 15.490 22.991 1.00 71.21 H new ATOM 0 HE21 GLN A 22 -0.579 13.638 25.165 1.00 31.52 H new ATOM 0 HE22 GLN A 22 -2.025 12.728 25.617 1.00 31.52 H new ATOM 343 N SER A 23 -1.303 10.631 20.028 1.00 41.14 N ATOM 344 CA SER A 23 -1.961 9.308 19.955 1.00 1.11 C ATOM 345 C SER A 23 -3.472 9.400 19.680 1.00 10.35 C ATOM 346 O SER A 23 -4.266 8.664 20.267 1.00 1.43 O ATOM 347 CB SER A 23 -1.704 8.481 21.236 1.00 12.52 C ATOM 348 OG SER A 23 -2.411 8.973 22.372 1.00 2.35 O ATOM 0 H SER A 23 -0.591 10.770 19.311 1.00 41.14 H new ATOM 0 HA SER A 23 -1.509 8.798 19.104 1.00 1.11 H new ATOM 0 HB2 SER A 23 -1.993 7.445 21.056 1.00 12.52 H new ATOM 0 HB3 SER A 23 -0.636 8.481 21.453 1.00 12.52 H new ATOM 0 HG SER A 23 -2.878 9.801 22.133 1.00 2.35 H new ATOM 354 N ASN A 24 -3.865 10.272 18.754 1.00 10.31 N ATOM 355 CA ASN A 24 -5.285 10.443 18.404 1.00 13.11 C ATOM 356 C ASN A 24 -5.634 9.777 17.063 1.00 61.42 C ATOM 357 O ASN A 24 -4.758 9.523 16.232 1.00 11.35 O ATOM 358 CB ASN A 24 -5.651 11.926 18.354 1.00 44.50 C ATOM 359 CG ASN A 24 -5.433 12.612 19.686 1.00 35.03 C ATOM 360 OD1 ASN A 24 -4.277 13.215 19.854 1.00 54.31 O flip ATOM 361 ND2 ASN A 24 -6.298 12.604 20.553 1.00 70.41 N flip ATOM 0 H ASN A 24 -3.227 10.872 18.231 1.00 10.31 H new ATOM 0 HA ASN A 24 -5.867 9.951 19.184 1.00 13.11 H new ATOM 0 HB2 ASN A 24 -5.052 12.421 17.590 1.00 44.50 H new ATOM 0 HB3 ASN A 24 -6.695 12.031 18.059 1.00 44.50 H new ATOM 0 HD21 ASN A 24 -7.183 12.125 20.386 1.00 70.41 H new ATOM 0 HD22 ASN A 24 -6.133 13.076 21.442 1.00 70.41 H new ATOM 368 N ILE A 25 -6.924 9.495 16.874 1.00 5.22 N ATOM 369 CA ILE A 25 -7.425 8.884 15.635 1.00 42.25 C ATOM 370 C ILE A 25 -7.263 9.833 14.435 1.00 2.12 C ATOM 371 O ILE A 25 -7.977 10.833 14.321 1.00 44.03 O ATOM 372 CB ILE A 25 -8.927 8.503 15.765 1.00 2.15 C ATOM 373 CG1 ILE A 25 -9.153 7.555 16.956 1.00 43.34 C ATOM 374 CG2 ILE A 25 -9.444 7.870 14.469 1.00 70.52 C ATOM 375 CD1 ILE A 25 -8.496 6.199 16.796 1.00 41.55 C ATOM 0 H ILE A 25 -7.649 9.681 17.568 1.00 5.22 H new ATOM 0 HA ILE A 25 -6.832 7.985 15.468 1.00 42.25 H new ATOM 0 HB ILE A 25 -9.489 9.419 15.947 1.00 2.15 H new ATOM 0 HG12 ILE A 25 -8.772 8.028 17.861 1.00 43.34 H new ATOM 0 HG13 ILE A 25 -10.225 7.414 17.097 1.00 43.34 H new ATOM 0 HG21 ILE A 25 -10.497 7.612 14.585 1.00 70.52 H new ATOM 0 HG22 ILE A 25 -9.332 8.578 13.648 1.00 70.52 H new ATOM 0 HG23 ILE A 25 -8.872 6.968 14.251 1.00 70.52 H new ATOM 0 HD11 ILE A 25 -8.701 5.589 17.676 1.00 41.55 H new ATOM 0 HD12 ILE A 25 -8.894 5.704 15.910 1.00 41.55 H new ATOM 0 HD13 ILE A 25 -7.419 6.327 16.686 1.00 41.55 H new ATOM 387 N ARG A 26 -6.312 9.534 13.553 1.00 34.21 N ATOM 388 CA ARG A 26 -6.127 10.335 12.338 1.00 44.14 C ATOM 389 C ARG A 26 -6.532 9.532 11.087 1.00 13.14 C ATOM 390 O ARG A 26 -7.278 10.020 10.238 1.00 34.24 O ATOM 391 CB ARG A 26 -4.651 10.768 12.230 1.00 32.02 C ATOM 392 CG ARG A 26 -4.415 12.177 11.676 1.00 71.20 C ATOM 393 CD ARG A 26 -4.919 12.372 10.247 1.00 73.13 C ATOM 394 NE ARG A 26 -6.358 12.637 10.190 1.00 32.23 N ATOM 395 CZ ARG A 26 -7.045 12.739 9.080 1.00 72.05 C ATOM 396 NH1 ARG A 26 -6.476 12.578 7.931 1.00 62.23 N1+ ATOM 397 NH2 ARG A 26 -8.308 13.007 9.127 1.00 22.24 N ATOM 0 H ARG A 26 -5.663 8.753 13.651 1.00 34.21 H new ATOM 0 HA ARG A 26 -6.764 11.217 12.398 1.00 44.14 H new ATOM 0 HB2 ARG A 26 -4.199 10.705 13.220 1.00 32.02 H new ATOM 0 HB3 ARG A 26 -4.127 10.054 11.594 1.00 32.02 H new ATOM 0 HG2 ARG A 26 -4.907 12.900 12.326 1.00 71.20 H new ATOM 0 HG3 ARG A 26 -3.348 12.395 11.707 1.00 71.20 H new ATOM 0 HD2 ARG A 26 -4.382 13.201 9.786 1.00 73.13 H new ATOM 0 HD3 ARG A 26 -4.694 11.481 9.661 1.00 73.13 H new ATOM 0 HE ARG A 26 -6.858 12.749 11.072 1.00 32.23 H new ATOM 0 HH11 ARG A 26 -5.479 12.368 7.881 1.00 62.23 H new ATOM 0 HH12 ARG A 26 -7.024 12.660 7.075 1.00 62.23 H new ATOM 0 HH21 ARG A 26 -8.768 13.139 10.028 1.00 22.24 H new ATOM 0 HH22 ARG A 26 -8.845 13.087 8.263 1.00 22.24 H new ATOM 411 N ASN A 27 -6.068 8.287 11.001 1.00 2.15 N ATOM 412 CA ASN A 27 -6.338 7.439 9.833 1.00 60.31 C ATOM 413 C ASN A 27 -6.712 6.005 10.252 1.00 32.42 C ATOM 414 O ASN A 27 -5.844 5.201 10.594 1.00 52.34 O ATOM 415 CB ASN A 27 -5.106 7.432 8.920 1.00 23.31 C ATOM 416 CG ASN A 27 -5.380 6.828 7.555 1.00 61.10 C ATOM 417 OD1 ASN A 27 -6.176 5.907 7.413 1.00 63.50 O ATOM 418 ND2 ASN A 27 -4.721 7.344 6.539 1.00 33.41 N ATOM 0 H ASN A 27 -5.503 7.840 11.723 1.00 2.15 H new ATOM 0 HA ASN A 27 -7.191 7.849 9.292 1.00 60.31 H new ATOM 0 HB2 ASN A 27 -4.749 8.454 8.793 1.00 23.31 H new ATOM 0 HB3 ASN A 27 -4.306 6.873 9.404 1.00 23.31 H new ATOM 0 HD21 ASN A 27 -4.866 6.978 5.598 1.00 33.41 H new ATOM 0 HD22 ASN A 27 -4.066 8.110 6.693 1.00 33.41 H new ATOM 425 N MET A 28 -8.005 5.689 10.213 1.00 55.33 N ATOM 426 CA MET A 28 -8.500 4.375 10.643 1.00 24.24 C ATOM 427 C MET A 28 -7.953 3.234 9.765 1.00 55.41 C ATOM 428 O MET A 28 -7.393 2.263 10.275 1.00 42.22 O ATOM 429 CB MET A 28 -10.036 4.352 10.632 1.00 4.34 C ATOM 430 CG MET A 28 -10.639 3.084 11.230 1.00 2.40 C ATOM 431 SD MET A 28 -12.443 3.057 11.141 1.00 50.31 S ATOM 432 CE MET A 28 -12.695 2.983 9.368 1.00 3.02 C ATOM 0 H MET A 28 -8.734 6.324 9.888 1.00 55.33 H new ATOM 0 HA MET A 28 -8.141 4.213 11.659 1.00 24.24 H new ATOM 0 HB2 MET A 28 -10.407 5.215 11.185 1.00 4.34 H new ATOM 0 HB3 MET A 28 -10.384 4.459 9.605 1.00 4.34 H new ATOM 0 HG2 MET A 28 -10.241 2.215 10.705 1.00 2.40 H new ATOM 0 HG3 MET A 28 -10.330 2.996 12.272 1.00 2.40 H new ATOM 0 HE1 MET A 28 -13.697 2.610 9.158 1.00 3.02 H new ATOM 0 HE2 MET A 28 -12.583 3.980 8.943 1.00 3.02 H new ATOM 0 HE3 MET A 28 -11.958 2.314 8.923 1.00 3.02 H new ATOM 442 N VAL A 29 -8.107 3.359 8.445 1.00 21.42 N ATOM 443 CA VAL A 29 -7.699 2.292 7.516 1.00 73.35 C ATOM 444 C VAL A 29 -6.184 2.001 7.586 1.00 34.14 C ATOM 445 O VAL A 29 -5.770 0.837 7.597 1.00 71.14 O ATOM 446 CB VAL A 29 -8.113 2.611 6.052 1.00 3.14 C ATOM 447 CG1 VAL A 29 -7.483 3.914 5.563 1.00 11.20 C ATOM 448 CG2 VAL A 29 -7.761 1.446 5.121 1.00 45.05 C ATOM 0 H VAL A 29 -8.508 4.181 7.993 1.00 21.42 H new ATOM 0 HA VAL A 29 -8.228 1.395 7.837 1.00 73.35 H new ATOM 0 HB VAL A 29 -9.195 2.745 6.035 1.00 3.14 H new ATOM 0 HG11 VAL A 29 -7.794 4.106 4.536 1.00 11.20 H new ATOM 0 HG12 VAL A 29 -7.808 4.737 6.200 1.00 11.20 H new ATOM 0 HG13 VAL A 29 -6.397 3.831 5.604 1.00 11.20 H new ATOM 0 HG21 VAL A 29 -8.060 1.692 4.102 1.00 45.05 H new ATOM 0 HG22 VAL A 29 -6.686 1.268 5.151 1.00 45.05 H new ATOM 0 HG23 VAL A 29 -8.286 0.548 5.447 1.00 45.05 H new ATOM 458 N ALA A 30 -5.361 3.051 7.649 1.00 13.30 N ATOM 459 CA ALA A 30 -3.905 2.879 7.772 1.00 11.31 C ATOM 460 C ALA A 30 -3.540 2.167 9.085 1.00 31.32 C ATOM 461 O ALA A 30 -2.669 1.292 9.115 1.00 51.12 O ATOM 462 CB ALA A 30 -3.196 4.225 7.681 1.00 22.34 C ATOM 0 H ALA A 30 -5.671 4.022 7.617 1.00 13.30 H new ATOM 0 HA ALA A 30 -3.571 2.254 6.944 1.00 11.31 H new ATOM 0 HB1 ALA A 30 -2.120 4.077 7.774 1.00 22.34 H new ATOM 0 HB2 ALA A 30 -3.416 4.688 6.719 1.00 22.34 H new ATOM 0 HB3 ALA A 30 -3.544 4.874 8.485 1.00 22.34 H new ATOM 468 N VAL A 31 -4.215 2.554 10.169 1.00 61.13 N ATOM 469 CA VAL A 31 -4.070 1.872 11.460 1.00 52.12 C ATOM 470 C VAL A 31 -4.418 0.378 11.338 1.00 44.43 C ATOM 471 O VAL A 31 -3.670 -0.485 11.803 1.00 43.31 O ATOM 472 CB VAL A 31 -4.960 2.541 12.550 1.00 73.30 C ATOM 473 CG1 VAL A 31 -5.141 1.637 13.763 1.00 1.34 C ATOM 474 CG2 VAL A 31 -4.361 3.871 12.989 1.00 45.32 C ATOM 0 H VAL A 31 -4.869 3.337 10.180 1.00 61.13 H new ATOM 0 HA VAL A 31 -3.027 1.961 11.762 1.00 52.12 H new ATOM 0 HB VAL A 31 -5.940 2.714 12.104 1.00 73.30 H new ATOM 0 HG11 VAL A 31 -5.767 2.139 14.501 1.00 1.34 H new ATOM 0 HG12 VAL A 31 -5.618 0.706 13.455 1.00 1.34 H new ATOM 0 HG13 VAL A 31 -4.168 1.418 14.202 1.00 1.34 H new ATOM 0 HG21 VAL A 31 -4.997 4.323 13.750 1.00 45.32 H new ATOM 0 HG22 VAL A 31 -3.365 3.704 13.400 1.00 45.32 H new ATOM 0 HG23 VAL A 31 -4.291 4.540 12.131 1.00 45.32 H new ATOM 484 N LEU A 32 -5.543 0.076 10.686 1.00 31.32 N ATOM 485 CA LEU A 32 -5.981 -1.314 10.489 1.00 21.14 C ATOM 486 C LEU A 32 -4.902 -2.161 9.792 1.00 14.31 C ATOM 487 O LEU A 32 -4.743 -3.347 10.090 1.00 64.15 O ATOM 488 CB LEU A 32 -7.287 -1.359 9.680 1.00 42.00 C ATOM 489 CG LEU A 32 -8.503 -0.704 10.356 1.00 23.03 C ATOM 490 CD1 LEU A 32 -9.730 -0.762 9.447 1.00 74.41 C ATOM 491 CD2 LEU A 32 -8.795 -1.370 11.700 1.00 20.32 C ATOM 0 H LEU A 32 -6.170 0.773 10.284 1.00 31.32 H new ATOM 0 HA LEU A 32 -6.155 -1.741 11.477 1.00 21.14 H new ATOM 0 HB2 LEU A 32 -7.118 -0.869 8.721 1.00 42.00 H new ATOM 0 HB3 LEU A 32 -7.528 -2.401 9.468 1.00 42.00 H new ATOM 0 HG LEU A 32 -8.266 0.345 10.537 1.00 23.03 H new ATOM 0 HD11 LEU A 32 -10.576 -0.292 9.948 1.00 74.41 H new ATOM 0 HD12 LEU A 32 -9.519 -0.233 8.517 1.00 74.41 H new ATOM 0 HD13 LEU A 32 -9.970 -1.802 9.226 1.00 74.41 H new ATOM 0 HD21 LEU A 32 -9.659 -0.892 12.163 1.00 20.32 H new ATOM 0 HD22 LEU A 32 -9.006 -2.428 11.544 1.00 20.32 H new ATOM 0 HD23 LEU A 32 -7.929 -1.265 12.354 1.00 20.32 H new ATOM 503 N GLU A 33 -4.162 -1.555 8.860 1.00 31.44 N ATOM 504 CA GLU A 33 -3.050 -2.249 8.198 1.00 22.24 C ATOM 505 C GLU A 33 -1.937 -2.597 9.206 1.00 31.13 C ATOM 506 O GLU A 33 -1.363 -3.688 9.158 1.00 4.31 O ATOM 507 CB GLU A 33 -2.463 -1.407 7.053 1.00 34.33 C ATOM 508 CG GLU A 33 -3.445 -1.098 5.922 1.00 51.42 C ATOM 509 CD GLU A 33 -2.740 -0.679 4.634 1.00 70.25 C ATOM 510 OE1 GLU A 33 -3.053 -1.246 3.563 1.00 24.23 O ATOM 511 OE2 GLU A 33 -1.837 0.184 4.694 1.00 11.40 O1- ATOM 0 H GLU A 33 -4.309 -0.595 8.548 1.00 31.44 H new ATOM 0 HA GLU A 33 -3.452 -3.172 7.780 1.00 22.24 H new ATOM 0 HB2 GLU A 33 -2.094 -0.467 7.463 1.00 34.33 H new ATOM 0 HB3 GLU A 33 -1.603 -1.932 6.637 1.00 34.33 H new ATOM 0 HG2 GLU A 33 -4.058 -1.978 5.727 1.00 51.42 H new ATOM 0 HG3 GLU A 33 -4.120 -0.303 6.238 1.00 51.42 H new ATOM 518 N VAL A 34 -1.641 -1.667 10.117 1.00 72.14 N ATOM 519 CA VAL A 34 -0.621 -1.895 11.149 1.00 15.11 C ATOM 520 C VAL A 34 -1.025 -3.040 12.089 1.00 60.44 C ATOM 521 O VAL A 34 -0.251 -3.968 12.312 1.00 71.20 O ATOM 522 CB VAL A 34 -0.356 -0.614 11.985 1.00 23.42 C ATOM 523 CG1 VAL A 34 0.653 -0.884 13.104 1.00 40.45 C ATOM 524 CG2 VAL A 34 0.127 0.522 11.085 1.00 54.45 C ATOM 0 H VAL A 34 -2.090 -0.752 10.163 1.00 72.14 H new ATOM 0 HA VAL A 34 0.296 -2.168 10.627 1.00 15.11 H new ATOM 0 HB VAL A 34 -1.296 -0.313 12.448 1.00 23.42 H new ATOM 0 HG11 VAL A 34 0.819 0.031 13.673 1.00 40.45 H new ATOM 0 HG12 VAL A 34 0.264 -1.657 13.766 1.00 40.45 H new ATOM 0 HG13 VAL A 34 1.596 -1.218 12.671 1.00 40.45 H new ATOM 0 HG21 VAL A 34 0.308 1.412 11.688 1.00 54.45 H new ATOM 0 HG22 VAL A 34 1.051 0.226 10.589 1.00 54.45 H new ATOM 0 HG23 VAL A 34 -0.633 0.740 10.335 1.00 54.45 H new ATOM 534 N ILE A 35 -2.249 -2.981 12.616 1.00 41.12 N ATOM 535 CA ILE A 35 -2.759 -4.028 13.512 1.00 61.21 C ATOM 536 C ILE A 35 -2.744 -5.405 12.820 1.00 25.11 C ATOM 537 O ILE A 35 -2.304 -6.396 13.403 1.00 65.43 O ATOM 538 CB ILE A 35 -4.193 -3.698 14.026 1.00 4.41 C ATOM 539 CG1 ILE A 35 -4.154 -2.601 15.114 1.00 32.11 C ATOM 540 CG2 ILE A 35 -4.888 -4.949 14.568 1.00 75.33 C ATOM 541 CD1 ILE A 35 -3.584 -1.276 14.662 1.00 70.52 C ATOM 0 H ILE A 35 -2.907 -2.222 12.440 1.00 41.12 H new ATOM 0 HA ILE A 35 -2.093 -4.064 14.374 1.00 61.21 H new ATOM 0 HB ILE A 35 -4.766 -3.326 13.177 1.00 4.41 H new ATOM 0 HG12 ILE A 35 -5.167 -2.438 15.481 1.00 32.11 H new ATOM 0 HG13 ILE A 35 -3.565 -2.965 15.956 1.00 32.11 H new ATOM 0 HG21 ILE A 35 -5.886 -4.687 14.919 1.00 75.33 H new ATOM 0 HG22 ILE A 35 -4.966 -5.694 13.776 1.00 75.33 H new ATOM 0 HG23 ILE A 35 -4.308 -5.358 15.395 1.00 75.33 H new ATOM 0 HD11 ILE A 35 -3.598 -0.571 15.493 1.00 70.52 H new ATOM 0 HD12 ILE A 35 -2.557 -1.418 14.324 1.00 70.52 H new ATOM 0 HD13 ILE A 35 -4.185 -0.882 13.842 1.00 70.52 H new ATOM 553 N SER A 36 -3.202 -5.452 11.568 1.00 71.43 N ATOM 554 CA SER A 36 -3.165 -6.696 10.777 1.00 32.25 C ATOM 555 C SER A 36 -1.729 -7.226 10.647 1.00 5.32 C ATOM 556 O SER A 36 -1.481 -8.429 10.774 1.00 31.23 O ATOM 557 CB SER A 36 -3.759 -6.471 9.380 1.00 23.43 C ATOM 558 OG SER A 36 -3.662 -7.640 8.579 1.00 14.32 O ATOM 0 H SER A 36 -3.601 -4.652 11.077 1.00 71.43 H new ATOM 0 HA SER A 36 -3.766 -7.437 11.304 1.00 32.25 H new ATOM 0 HB2 SER A 36 -4.805 -6.177 9.471 1.00 23.43 H new ATOM 0 HB3 SER A 36 -3.238 -5.649 8.890 1.00 23.43 H new ATOM 0 HG SER A 36 -4.050 -7.465 7.696 1.00 14.32 H new ATOM 564 N SER A 37 -0.783 -6.317 10.402 1.00 34.01 N ATOM 565 CA SER A 37 0.641 -6.679 10.333 1.00 23.24 C ATOM 566 C SER A 37 1.126 -7.246 11.671 1.00 53.33 C ATOM 567 O SER A 37 1.823 -8.253 11.712 1.00 44.10 O ATOM 568 CB SER A 37 1.499 -5.461 9.951 1.00 24.32 C ATOM 569 OG SER A 37 1.138 -4.950 8.675 1.00 11.43 O ATOM 0 H SER A 37 -0.973 -5.327 10.248 1.00 34.01 H new ATOM 0 HA SER A 37 0.748 -7.444 9.564 1.00 23.24 H new ATOM 0 HB2 SER A 37 1.381 -4.681 10.703 1.00 24.32 H new ATOM 0 HB3 SER A 37 2.552 -5.743 9.947 1.00 24.32 H new ATOM 0 HG SER A 37 0.274 -4.491 8.739 1.00 11.43 H new ATOM 575 N LEU A 38 0.730 -6.596 12.762 1.00 70.51 N ATOM 576 CA LEU A 38 1.119 -7.019 14.112 1.00 62.41 C ATOM 577 C LEU A 38 0.563 -8.413 14.452 1.00 33.21 C ATOM 578 O LEU A 38 1.225 -9.215 15.114 1.00 13.32 O ATOM 579 CB LEU A 38 0.626 -5.989 15.139 1.00 33.13 C ATOM 580 CG LEU A 38 1.182 -4.568 14.963 1.00 70.14 C ATOM 581 CD1 LEU A 38 0.529 -3.604 15.951 1.00 4.14 C ATOM 582 CD2 LEU A 38 2.704 -4.559 15.114 1.00 32.54 C ATOM 0 H LEU A 38 0.135 -5.768 12.741 1.00 70.51 H new ATOM 0 HA LEU A 38 2.207 -7.080 14.147 1.00 62.41 H new ATOM 0 HB2 LEU A 38 -0.462 -5.944 15.090 1.00 33.13 H new ATOM 0 HB3 LEU A 38 0.886 -6.342 16.137 1.00 33.13 H new ATOM 0 HG LEU A 38 0.941 -4.231 13.955 1.00 70.14 H new ATOM 0 HD11 LEU A 38 0.938 -2.604 15.808 1.00 4.14 H new ATOM 0 HD12 LEU A 38 -0.548 -3.583 15.782 1.00 4.14 H new ATOM 0 HD13 LEU A 38 0.730 -3.936 16.970 1.00 4.14 H new ATOM 0 HD21 LEU A 38 3.076 -3.543 14.986 1.00 32.54 H new ATOM 0 HD22 LEU A 38 2.973 -4.921 16.106 1.00 32.54 H new ATOM 0 HD23 LEU A 38 3.148 -5.206 14.358 1.00 32.54 H new ATOM 594 N GLU A 39 -0.658 -8.697 13.994 1.00 64.43 N ATOM 595 CA GLU A 39 -1.292 -9.999 14.237 1.00 25.11 C ATOM 596 C GLU A 39 -0.565 -11.141 13.506 1.00 43.55 C ATOM 597 O GLU A 39 -0.375 -12.225 14.066 1.00 44.51 O ATOM 598 CB GLU A 39 -2.764 -9.975 13.804 1.00 2.34 C ATOM 599 CG GLU A 39 -3.648 -9.057 14.641 1.00 53.14 C ATOM 600 CD GLU A 39 -5.118 -9.165 14.265 1.00 34.31 C ATOM 601 OE1 GLU A 39 -5.762 -10.168 14.644 1.00 13.20 O ATOM 602 OE2 GLU A 39 -5.641 -8.258 13.587 1.00 64.30 O1- ATOM 0 H GLU A 39 -1.228 -8.046 13.454 1.00 64.43 H new ATOM 0 HA GLU A 39 -1.228 -10.185 15.309 1.00 25.11 H new ATOM 0 HB2 GLU A 39 -2.819 -9.662 12.761 1.00 2.34 H new ATOM 0 HB3 GLU A 39 -3.162 -10.988 13.854 1.00 2.34 H new ATOM 0 HG2 GLU A 39 -3.527 -9.303 15.696 1.00 53.14 H new ATOM 0 HG3 GLU A 39 -3.318 -8.026 14.515 1.00 53.14 H new ATOM 609 N LYS A 40 -0.162 -10.900 12.257 1.00 23.41 N ATOM 610 CA LYS A 40 0.497 -11.940 11.450 1.00 34.03 C ATOM 611 C LYS A 40 2.028 -11.912 11.612 1.00 51.42 C ATOM 612 O LYS A 40 2.709 -12.900 11.333 1.00 75.45 O ATOM 613 CB LYS A 40 0.130 -11.783 9.965 1.00 63.20 C ATOM 614 CG LYS A 40 -1.373 -11.700 9.701 1.00 32.12 C ATOM 615 CD LYS A 40 -1.723 -11.858 8.216 1.00 64.41 C ATOM 616 CE LYS A 40 -0.904 -10.934 7.308 1.00 41.14 C ATOM 617 NZ LYS A 40 0.150 -11.675 6.557 1.00 10.12 N1+ ATOM 0 H LYS A 40 -0.277 -10.005 11.782 1.00 23.41 H new ATOM 0 HA LYS A 40 0.138 -12.903 11.814 1.00 34.03 H new ATOM 0 HB2 LYS A 40 0.607 -10.883 9.577 1.00 63.20 H new ATOM 0 HB3 LYS A 40 0.540 -12.626 9.409 1.00 63.20 H new ATOM 0 HG2 LYS A 40 -1.882 -12.475 10.274 1.00 32.12 H new ATOM 0 HG3 LYS A 40 -1.748 -10.741 10.058 1.00 32.12 H new ATOM 0 HD2 LYS A 40 -1.557 -12.893 7.917 1.00 64.41 H new ATOM 0 HD3 LYS A 40 -2.784 -11.651 8.074 1.00 64.41 H new ATOM 0 HE2 LYS A 40 -1.570 -10.437 6.602 1.00 41.14 H new ATOM 0 HE3 LYS A 40 -0.439 -10.154 7.911 1.00 41.14 H new ATOM 0 HZ1 LYS A 40 1.044 -11.145 6.598 1.00 10.12 H new ATOM 0 HZ2 LYS A 40 0.285 -12.614 6.983 1.00 10.12 H new ATOM 0 HZ3 LYS A 40 -0.142 -11.784 5.565 1.00 10.12 H new ATOM 631 N TYR A 41 2.562 -10.782 12.066 1.00 5.32 N ATOM 632 CA TYR A 41 4.010 -10.622 12.260 1.00 71.21 C ATOM 633 C TYR A 41 4.300 -10.003 13.642 1.00 14.14 C ATOM 634 O TYR A 41 4.302 -8.781 13.797 1.00 15.24 O ATOM 635 CB TYR A 41 4.612 -9.734 11.152 1.00 51.52 C ATOM 636 CG TYR A 41 4.106 -10.055 9.752 1.00 5.11 C ATOM 637 CD1 TYR A 41 4.538 -11.188 9.069 1.00 72.12 C ATOM 638 CD2 TYR A 41 3.189 -9.220 9.119 1.00 0.05 C ATOM 639 CE1 TYR A 41 4.065 -11.480 7.803 1.00 71.33 C ATOM 640 CE2 TYR A 41 2.716 -9.505 7.855 1.00 62.04 C ATOM 641 CZ TYR A 41 3.156 -10.635 7.201 1.00 42.12 C ATOM 642 OH TYR A 41 2.677 -10.925 5.944 1.00 14.44 O ATOM 0 H TYR A 41 2.015 -9.956 12.309 1.00 5.32 H new ATOM 0 HA TYR A 41 4.472 -11.608 12.208 1.00 71.21 H new ATOM 0 HB2 TYR A 41 4.389 -8.691 11.377 1.00 51.52 H new ATOM 0 HB3 TYR A 41 5.697 -9.839 11.167 1.00 51.52 H new ATOM 0 HD1 TYR A 41 5.254 -11.849 9.535 1.00 72.12 H new ATOM 0 HD2 TYR A 41 2.842 -8.333 9.627 1.00 0.05 H new ATOM 0 HE1 TYR A 41 4.406 -12.366 7.288 1.00 71.33 H new ATOM 0 HE2 TYR A 41 2.004 -8.846 7.380 1.00 62.04 H new ATOM 0 HH TYR A 41 2.803 -10.149 5.359 1.00 14.44 H new ATOM 652 N PRO A 42 4.535 -10.840 14.669 1.00 1.44 N ATOM 653 CA PRO A 42 4.753 -10.360 16.044 1.00 75.14 C ATOM 654 C PRO A 42 6.123 -9.686 16.247 1.00 45.53 C ATOM 655 O PRO A 42 7.153 -10.177 15.774 1.00 65.45 O ATOM 656 CB PRO A 42 4.644 -11.643 16.879 1.00 64.24 C ATOM 657 CG PRO A 42 5.060 -12.737 15.950 1.00 20.33 C ATOM 658 CD PRO A 42 4.607 -12.313 14.575 1.00 3.13 C ATOM 0 HA PRO A 42 4.037 -9.586 16.319 1.00 75.14 H new ATOM 0 HB2 PRO A 42 5.290 -11.601 17.756 1.00 64.24 H new ATOM 0 HB3 PRO A 42 3.627 -11.795 17.240 1.00 64.24 H new ATOM 0 HG2 PRO A 42 6.140 -12.882 15.977 1.00 20.33 H new ATOM 0 HG3 PRO A 42 4.604 -13.685 16.235 1.00 20.33 H new ATOM 0 HD2 PRO A 42 5.311 -12.631 13.806 1.00 3.13 H new ATOM 0 HD3 PRO A 42 3.639 -12.746 14.321 1.00 3.13 H new ATOM 666 N ILE A 43 6.130 -8.557 16.956 1.00 4.04 N ATOM 667 CA ILE A 43 7.370 -7.831 17.252 1.00 61.33 C ATOM 668 C ILE A 43 8.152 -8.499 18.399 1.00 24.44 C ATOM 669 O ILE A 43 7.602 -8.777 19.463 1.00 72.34 O ATOM 670 CB ILE A 43 7.081 -6.350 17.617 1.00 13.32 C ATOM 671 CG1 ILE A 43 6.392 -5.631 16.441 1.00 75.45 C ATOM 672 CG2 ILE A 43 8.367 -5.625 18.024 1.00 21.11 C ATOM 673 CD1 ILE A 43 6.061 -4.176 16.717 1.00 13.31 C ATOM 0 H ILE A 43 5.290 -8.123 17.338 1.00 4.04 H new ATOM 0 HA ILE A 43 7.979 -7.861 16.348 1.00 61.33 H new ATOM 0 HB ILE A 43 6.405 -6.334 18.472 1.00 13.32 H new ATOM 0 HG12 ILE A 43 7.039 -5.686 15.565 1.00 75.45 H new ATOM 0 HG13 ILE A 43 5.473 -6.161 16.192 1.00 75.45 H new ATOM 0 HG21 ILE A 43 8.137 -4.589 18.275 1.00 21.11 H new ATOM 0 HG22 ILE A 43 8.805 -6.120 18.891 1.00 21.11 H new ATOM 0 HG23 ILE A 43 9.076 -5.649 17.196 1.00 21.11 H new ATOM 0 HD11 ILE A 43 5.579 -3.740 15.842 1.00 13.31 H new ATOM 0 HD12 ILE A 43 5.388 -4.112 17.572 1.00 13.31 H new ATOM 0 HD13 ILE A 43 6.978 -3.629 16.935 1.00 13.31 H new ATOM 685 N THR A 44 9.439 -8.757 18.168 1.00 53.54 N ATOM 686 CA THR A 44 10.304 -9.375 19.185 1.00 13.31 C ATOM 687 C THR A 44 10.805 -8.324 20.198 1.00 41.51 C ATOM 688 O THR A 44 10.850 -7.129 19.896 1.00 3.04 O ATOM 689 CB THR A 44 11.518 -10.085 18.525 1.00 43.40 C ATOM 690 OG1 THR A 44 11.066 -11.010 17.522 1.00 3.52 O ATOM 691 CG2 THR A 44 12.353 -10.846 19.549 1.00 51.33 C ATOM 0 H THR A 44 9.910 -8.549 17.287 1.00 53.54 H new ATOM 0 HA THR A 44 9.707 -10.117 19.715 1.00 13.31 H new ATOM 0 HB THR A 44 12.138 -9.310 18.074 1.00 43.40 H new ATOM 0 HG1 THR A 44 11.839 -11.451 17.111 1.00 3.52 H new ATOM 0 HG21 THR A 44 13.192 -11.329 19.048 1.00 51.33 H new ATOM 0 HG22 THR A 44 12.729 -10.151 20.300 1.00 51.33 H new ATOM 0 HG23 THR A 44 11.735 -11.603 20.032 1.00 51.33 H new ATOM 699 N LYS A 45 11.208 -8.782 21.388 1.00 52.52 N ATOM 700 CA LYS A 45 11.569 -7.885 22.499 1.00 32.24 C ATOM 701 C LYS A 45 12.698 -6.895 22.148 1.00 53.34 C ATOM 702 O LYS A 45 12.612 -5.711 22.483 1.00 75.50 O ATOM 703 CB LYS A 45 11.967 -8.703 23.743 1.00 3.31 C ATOM 704 CG LYS A 45 13.086 -9.725 23.502 1.00 55.52 C ATOM 705 CD LYS A 45 14.211 -9.620 24.538 1.00 45.42 C ATOM 706 CE LYS A 45 14.965 -8.296 24.425 1.00 2.24 C ATOM 707 NZ LYS A 45 16.129 -8.221 25.347 1.00 41.51 N1+ ATOM 0 H LYS A 45 11.294 -9.774 21.610 1.00 52.52 H new ATOM 0 HA LYS A 45 10.679 -7.291 22.708 1.00 32.24 H new ATOM 0 HB2 LYS A 45 12.283 -8.016 24.528 1.00 3.31 H new ATOM 0 HB3 LYS A 45 11.087 -9.228 24.114 1.00 3.31 H new ATOM 0 HG2 LYS A 45 12.666 -10.731 23.527 1.00 55.52 H new ATOM 0 HG3 LYS A 45 13.500 -9.577 22.505 1.00 55.52 H new ATOM 0 HD2 LYS A 45 13.792 -9.715 25.540 1.00 45.42 H new ATOM 0 HD3 LYS A 45 14.908 -10.448 24.403 1.00 45.42 H new ATOM 0 HE2 LYS A 45 15.310 -8.165 23.399 1.00 2.24 H new ATOM 0 HE3 LYS A 45 14.282 -7.474 24.640 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 16.605 -7.304 25.231 1.00 41.51 H new ATOM 0 HZ2 LYS A 45 15.801 -8.319 26.329 1.00 41.51 H new ATOM 0 HZ3 LYS A 45 16.796 -8.988 25.127 1.00 41.51 H new ATOM 721 N GLU A 46 13.754 -7.372 21.485 1.00 2.43 N ATOM 722 CA GLU A 46 14.927 -6.529 21.201 1.00 54.01 C ATOM 723 C GLU A 46 14.546 -5.310 20.343 1.00 40.15 C ATOM 724 O GLU A 46 14.908 -4.174 20.656 1.00 61.55 O ATOM 725 CB GLU A 46 16.016 -7.355 20.499 1.00 60.14 C ATOM 726 CG GLU A 46 17.399 -6.707 20.514 1.00 3.53 C ATOM 727 CD GLU A 46 17.978 -6.582 21.918 1.00 11.11 C ATOM 728 OE1 GLU A 46 18.441 -7.601 22.470 1.00 54.23 O ATOM 729 OE2 GLU A 46 17.974 -5.465 22.477 1.00 21.23 O1- ATOM 0 H GLU A 46 13.825 -8.328 21.136 1.00 2.43 H new ATOM 0 HA GLU A 46 15.315 -6.161 22.151 1.00 54.01 H new ATOM 0 HB2 GLU A 46 16.080 -8.333 20.977 1.00 60.14 H new ATOM 0 HB3 GLU A 46 15.718 -7.525 19.464 1.00 60.14 H new ATOM 0 HG2 GLU A 46 18.078 -7.296 19.897 1.00 3.53 H new ATOM 0 HG3 GLU A 46 17.336 -5.717 20.062 1.00 3.53 H new ATOM 736 N ALA A 47 13.792 -5.554 19.270 1.00 23.35 N ATOM 737 CA ALA A 47 13.306 -4.476 18.404 1.00 22.04 C ATOM 738 C ALA A 47 12.306 -3.575 19.142 1.00 41.40 C ATOM 739 O ALA A 47 12.267 -2.362 18.925 1.00 41.13 O ATOM 740 CB ALA A 47 12.669 -5.053 17.146 1.00 41.42 C ATOM 0 H ALA A 47 13.504 -6.488 18.979 1.00 23.35 H new ATOM 0 HA ALA A 47 14.162 -3.864 18.119 1.00 22.04 H new ATOM 0 HB1 ALA A 47 12.313 -4.240 16.513 1.00 41.42 H new ATOM 0 HB2 ALA A 47 13.408 -5.641 16.601 1.00 41.42 H new ATOM 0 HB3 ALA A 47 11.830 -5.691 17.423 1.00 41.42 H new ATOM 746 N LEU A 48 11.507 -4.176 20.026 1.00 74.32 N ATOM 747 CA LEU A 48 10.505 -3.433 20.799 1.00 74.31 C ATOM 748 C LEU A 48 11.155 -2.331 21.652 1.00 30.35 C ATOM 749 O LEU A 48 10.707 -1.182 21.656 1.00 55.04 O ATOM 750 CB LEU A 48 9.747 -4.406 21.719 1.00 51.34 C ATOM 751 CG LEU A 48 8.637 -3.781 22.583 1.00 32.22 C ATOM 752 CD1 LEU A 48 7.438 -3.394 21.726 1.00 12.22 C ATOM 753 CD2 LEU A 48 8.223 -4.732 23.705 1.00 12.42 C ATOM 0 H LEU A 48 11.533 -5.176 20.226 1.00 74.32 H new ATOM 0 HA LEU A 48 9.818 -2.960 20.097 1.00 74.31 H new ATOM 0 HB2 LEU A 48 9.305 -5.189 21.103 1.00 51.34 H new ATOM 0 HB3 LEU A 48 10.468 -4.888 22.379 1.00 51.34 H new ATOM 0 HG LEU A 48 9.032 -2.873 23.039 1.00 32.22 H new ATOM 0 HD11 LEU A 48 6.666 -2.954 22.358 1.00 12.22 H new ATOM 0 HD12 LEU A 48 7.748 -2.669 20.973 1.00 12.22 H new ATOM 0 HD13 LEU A 48 7.041 -4.282 21.233 1.00 12.22 H new ATOM 0 HD21 LEU A 48 7.438 -4.269 24.303 1.00 12.42 H new ATOM 0 HD22 LEU A 48 7.852 -5.662 23.275 1.00 12.42 H new ATOM 0 HD23 LEU A 48 9.084 -4.944 24.339 1.00 12.42 H new ATOM 765 N GLU A 49 12.219 -2.695 22.360 1.00 42.32 N ATOM 766 CA GLU A 49 12.963 -1.748 23.195 1.00 44.31 C ATOM 767 C GLU A 49 13.809 -0.770 22.356 1.00 1.24 C ATOM 768 O GLU A 49 13.770 0.447 22.558 1.00 65.43 O ATOM 769 CB GLU A 49 13.868 -2.523 24.158 1.00 15.50 C ATOM 770 CG GLU A 49 14.730 -1.635 25.045 1.00 11.15 C ATOM 771 CD GLU A 49 15.705 -2.430 25.895 1.00 73.23 C ATOM 772 OE1 GLU A 49 16.720 -2.908 25.348 1.00 21.23 O ATOM 773 OE2 GLU A 49 15.462 -2.580 27.111 1.00 73.35 O1- ATOM 0 H GLU A 49 12.590 -3.645 22.374 1.00 42.32 H new ATOM 0 HA GLU A 49 12.238 -1.154 23.752 1.00 44.31 H new ATOM 0 HB2 GLU A 49 13.249 -3.159 24.790 1.00 15.50 H new ATOM 0 HB3 GLU A 49 14.517 -3.182 23.581 1.00 15.50 H new ATOM 0 HG2 GLU A 49 15.285 -0.934 24.421 1.00 11.15 H new ATOM 0 HG3 GLU A 49 14.086 -1.043 25.695 1.00 11.15 H new ATOM 780 N GLU A 50 14.556 -1.319 21.401 1.00 45.44 N ATOM 781 CA GLU A 50 15.518 -0.543 20.608 1.00 5.33 C ATOM 782 C GLU A 50 14.826 0.543 19.768 1.00 33.25 C ATOM 783 O GLU A 50 15.169 1.725 19.854 1.00 24.24 O ATOM 784 CB GLU A 50 16.323 -1.505 19.710 1.00 63.34 C ATOM 785 CG GLU A 50 17.490 -0.872 18.948 1.00 33.11 C ATOM 786 CD GLU A 50 17.066 -0.110 17.699 1.00 61.24 C ATOM 787 OE1 GLU A 50 16.501 -0.737 16.778 1.00 1.43 O ATOM 788 OE2 GLU A 50 17.317 1.113 17.620 1.00 74.15 O1- ATOM 0 H GLU A 50 14.515 -2.308 21.153 1.00 45.44 H new ATOM 0 HA GLU A 50 16.194 -0.027 21.290 1.00 5.33 H new ATOM 0 HB2 GLU A 50 16.712 -2.313 20.330 1.00 63.34 H new ATOM 0 HB3 GLU A 50 15.642 -1.956 18.988 1.00 63.34 H new ATOM 0 HG2 GLU A 50 18.021 -0.192 19.614 1.00 33.11 H new ATOM 0 HG3 GLU A 50 18.194 -1.654 18.664 1.00 33.11 H new ATOM 795 N THR A 51 13.834 0.141 18.980 1.00 54.34 N ATOM 796 CA THR A 51 13.155 1.059 18.050 1.00 24.42 C ATOM 797 C THR A 51 12.043 1.878 18.746 1.00 63.31 C ATOM 798 O THR A 51 11.266 2.572 18.089 1.00 44.02 O ATOM 799 CB THR A 51 12.563 0.276 16.844 1.00 1.21 C ATOM 800 OG1 THR A 51 13.539 -0.651 16.335 1.00 42.32 O ATOM 801 CG2 THR A 51 12.139 1.215 15.712 1.00 21.51 C ATOM 0 H THR A 51 13.476 -0.814 18.961 1.00 54.34 H new ATOM 0 HA THR A 51 13.906 1.762 17.690 1.00 24.42 H new ATOM 0 HB THR A 51 11.682 -0.257 17.202 1.00 1.21 H new ATOM 0 HG1 THR A 51 14.438 -0.350 16.585 1.00 42.32 H new ATOM 0 HG21 THR A 51 11.731 0.630 14.888 1.00 21.51 H new ATOM 0 HG22 THR A 51 11.380 1.906 16.078 1.00 21.51 H new ATOM 0 HG23 THR A 51 13.004 1.778 15.363 1.00 21.51 H new ATOM 809 N ARG A 52 11.977 1.796 20.085 1.00 24.32 N ATOM 810 CA ARG A 52 10.972 2.537 20.877 1.00 14.42 C ATOM 811 C ARG A 52 9.541 2.069 20.557 1.00 5.30 C ATOM 812 O ARG A 52 8.574 2.820 20.704 1.00 2.33 O ATOM 813 CB ARG A 52 11.109 4.053 20.631 1.00 14.44 C ATOM 814 CG ARG A 52 12.421 4.657 21.147 1.00 3.23 C ATOM 815 CD ARG A 52 12.242 5.425 22.458 1.00 72.11 C ATOM 816 NE ARG A 52 11.661 4.608 23.524 1.00 3.12 N ATOM 817 CZ ARG A 52 11.058 5.095 24.576 1.00 61.43 C ATOM 818 NH1 ARG A 52 10.955 6.373 24.752 1.00 20.13 N1+ ATOM 819 NH2 ARG A 52 10.563 4.296 25.456 1.00 14.25 N ATOM 0 H ARG A 52 12.608 1.223 20.646 1.00 24.32 H new ATOM 0 HA ARG A 52 11.160 2.329 21.930 1.00 14.42 H new ATOM 0 HB2 ARG A 52 11.030 4.245 19.561 1.00 14.44 H new ATOM 0 HB3 ARG A 52 10.274 4.564 21.109 1.00 14.44 H new ATOM 0 HG2 ARG A 52 13.150 3.860 21.294 1.00 3.23 H new ATOM 0 HG3 ARG A 52 12.830 5.327 20.391 1.00 3.23 H new ATOM 0 HD2 ARG A 52 13.210 5.805 22.785 1.00 72.11 H new ATOM 0 HD3 ARG A 52 11.603 6.290 22.282 1.00 72.11 H new ATOM 0 HE ARG A 52 11.731 3.594 23.441 1.00 3.12 H new ATOM 0 HH11 ARG A 52 11.348 7.016 24.064 1.00 20.13 H new ATOM 0 HH12 ARG A 52 10.481 6.737 25.579 1.00 20.13 H new ATOM 0 HH21 ARG A 52 10.642 3.287 25.331 1.00 14.25 H new ATOM 0 HH22 ARG A 52 10.092 4.672 26.279 1.00 14.25 H new ATOM 833 N LEU A 53 9.415 0.806 20.162 1.00 0.11 N ATOM 834 CA LEU A 53 8.116 0.232 19.787 1.00 13.35 C ATOM 835 C LEU A 53 7.227 -0.033 21.014 1.00 71.13 C ATOM 836 O LEU A 53 6.064 -0.409 20.876 1.00 42.53 O ATOM 837 CB LEU A 53 8.326 -1.062 18.989 1.00 53.34 C ATOM 838 CG LEU A 53 9.089 -0.895 17.664 1.00 12.32 C ATOM 839 CD1 LEU A 53 9.341 -2.249 17.009 1.00 61.45 C ATOM 840 CD2 LEU A 53 8.323 0.029 16.718 1.00 34.44 C ATOM 0 H LEU A 53 10.196 0.154 20.091 1.00 0.11 H new ATOM 0 HA LEU A 53 7.598 0.962 19.164 1.00 13.35 H new ATOM 0 HB2 LEU A 53 8.866 -1.773 19.614 1.00 53.34 H new ATOM 0 HB3 LEU A 53 7.351 -1.502 18.776 1.00 53.34 H new ATOM 0 HG LEU A 53 10.055 -0.440 17.881 1.00 12.32 H new ATOM 0 HD11 LEU A 53 9.882 -2.106 16.074 1.00 61.45 H new ATOM 0 HD12 LEU A 53 9.933 -2.873 17.679 1.00 61.45 H new ATOM 0 HD13 LEU A 53 8.388 -2.738 16.806 1.00 61.45 H new ATOM 0 HD21 LEU A 53 8.877 0.136 15.786 1.00 34.44 H new ATOM 0 HD22 LEU A 53 7.341 -0.396 16.510 1.00 34.44 H new ATOM 0 HD23 LEU A 53 8.203 1.008 17.183 1.00 34.44 H new ATOM 852 N GLY A 54 7.776 0.165 22.211 1.00 54.54 N ATOM 853 CA GLY A 54 6.983 0.054 23.435 1.00 62.41 C ATOM 854 C GLY A 54 5.802 1.022 23.446 1.00 4.04 C ATOM 855 O GLY A 54 4.745 0.730 24.010 1.00 2.11 O ATOM 0 H GLY A 54 8.757 0.401 22.360 1.00 54.54 H new ATOM 0 HA2 GLY A 54 6.615 -0.967 23.536 1.00 62.41 H new ATOM 0 HA3 GLY A 54 7.620 0.250 24.298 1.00 62.41 H new ATOM 859 N LYS A 55 5.988 2.175 22.805 1.00 20.03 N ATOM 860 CA LYS A 55 4.921 3.168 22.650 1.00 61.01 C ATOM 861 C LYS A 55 3.699 2.542 21.952 1.00 74.34 C ATOM 862 O LYS A 55 2.552 2.863 22.271 1.00 32.43 O ATOM 863 CB LYS A 55 5.447 4.352 21.821 1.00 64.01 C ATOM 864 CG LYS A 55 4.461 5.507 21.667 1.00 35.52 C ATOM 865 CD LYS A 55 4.243 6.247 22.984 1.00 54.25 C ATOM 866 CE LYS A 55 3.300 7.436 22.814 1.00 62.22 C ATOM 867 NZ LYS A 55 3.165 8.225 24.067 1.00 44.11 N1+ ATOM 0 H LYS A 55 6.875 2.448 22.381 1.00 20.03 H new ATOM 0 HA LYS A 55 4.613 3.517 23.636 1.00 61.01 H new ATOM 0 HB2 LYS A 55 6.358 4.729 22.287 1.00 64.01 H new ATOM 0 HB3 LYS A 55 5.722 3.991 20.830 1.00 64.01 H new ATOM 0 HG2 LYS A 55 4.832 6.204 20.916 1.00 35.52 H new ATOM 0 HG3 LYS A 55 3.507 5.125 21.303 1.00 35.52 H new ATOM 0 HD2 LYS A 55 3.833 5.560 23.724 1.00 54.25 H new ATOM 0 HD3 LYS A 55 5.202 6.595 23.369 1.00 54.25 H new ATOM 0 HE2 LYS A 55 3.671 8.081 22.018 1.00 62.22 H new ATOM 0 HE3 LYS A 55 2.318 7.078 22.504 1.00 62.22 H new ATOM 0 HZ1 LYS A 55 2.516 9.022 23.907 1.00 44.11 H new ATOM 0 HZ2 LYS A 55 2.787 7.617 24.821 1.00 44.11 H new ATOM 0 HZ3 LYS A 55 4.097 8.589 24.350 1.00 44.11 H new ATOM 881 N LEU A 56 3.969 1.622 21.021 1.00 24.25 N ATOM 882 CA LEU A 56 2.919 0.911 20.278 1.00 61.22 C ATOM 883 C LEU A 56 1.963 0.180 21.234 1.00 44.21 C ATOM 884 O LEU A 56 0.758 0.153 21.009 1.00 12.40 O ATOM 885 CB LEU A 56 3.570 -0.080 19.284 1.00 51.13 C ATOM 886 CG LEU A 56 2.631 -0.799 18.283 1.00 43.21 C ATOM 887 CD1 LEU A 56 3.435 -1.342 17.100 1.00 31.35 C ATOM 888 CD2 LEU A 56 1.861 -1.941 18.952 1.00 34.42 C ATOM 0 H LEU A 56 4.917 1.349 20.760 1.00 24.25 H new ATOM 0 HA LEU A 56 2.329 1.638 19.720 1.00 61.22 H new ATOM 0 HB2 LEU A 56 4.323 0.462 18.711 1.00 51.13 H new ATOM 0 HB3 LEU A 56 4.095 -0.841 19.861 1.00 51.13 H new ATOM 0 HG LEU A 56 1.907 -0.066 17.926 1.00 43.21 H new ATOM 0 HD11 LEU A 56 2.764 -1.845 16.404 1.00 31.35 H new ATOM 0 HD12 LEU A 56 3.935 -0.518 16.591 1.00 31.35 H new ATOM 0 HD13 LEU A 56 4.180 -2.051 17.461 1.00 31.35 H new ATOM 0 HD21 LEU A 56 1.213 -2.421 18.219 1.00 34.42 H new ATOM 0 HD22 LEU A 56 2.566 -2.672 19.348 1.00 34.42 H new ATOM 0 HD23 LEU A 56 1.255 -1.543 19.766 1.00 34.42 H new ATOM 900 N ILE A 57 2.503 -0.386 22.317 1.00 71.21 N ATOM 901 CA ILE A 57 1.694 -1.155 23.274 1.00 34.24 C ATOM 902 C ILE A 57 0.566 -0.296 23.866 1.00 3.30 C ATOM 903 O ILE A 57 -0.583 -0.733 23.964 1.00 35.12 O ATOM 904 CB ILE A 57 2.569 -1.701 24.432 1.00 61.45 C ATOM 905 CG1 ILE A 57 3.699 -2.587 23.880 1.00 14.30 C ATOM 906 CG2 ILE A 57 1.717 -2.475 25.440 1.00 60.34 C ATOM 907 CD1 ILE A 57 4.642 -3.118 24.942 1.00 70.22 C ATOM 0 H ILE A 57 3.493 -0.328 22.555 1.00 71.21 H new ATOM 0 HA ILE A 57 1.259 -1.990 22.724 1.00 34.24 H new ATOM 0 HB ILE A 57 3.018 -0.854 24.951 1.00 61.45 H new ATOM 0 HG12 ILE A 57 3.258 -3.429 23.346 1.00 14.30 H new ATOM 0 HG13 ILE A 57 4.274 -2.014 23.152 1.00 14.30 H new ATOM 0 HG21 ILE A 57 2.353 -2.848 26.243 1.00 60.34 H new ATOM 0 HG22 ILE A 57 0.956 -1.815 25.857 1.00 60.34 H new ATOM 0 HG23 ILE A 57 1.234 -3.314 24.940 1.00 60.34 H new ATOM 0 HD11 ILE A 57 5.410 -3.733 24.472 1.00 70.22 H new ATOM 0 HD12 ILE A 57 5.113 -2.283 25.461 1.00 70.22 H new ATOM 0 HD13 ILE A 57 4.082 -3.720 25.657 1.00 70.22 H new ATOM 919 N ASN A 58 0.906 0.928 24.251 1.00 52.24 N ATOM 920 CA ASN A 58 -0.081 1.871 24.780 1.00 23.24 C ATOM 921 C ASN A 58 -1.018 2.370 23.673 1.00 64.03 C ATOM 922 O ASN A 58 -2.228 2.499 23.871 1.00 61.03 O ATOM 923 CB ASN A 58 0.620 3.066 25.428 1.00 71.51 C ATOM 924 CG ASN A 58 1.679 2.640 26.421 1.00 4.33 C ATOM 925 OD1 ASN A 58 1.401 2.438 27.598 1.00 50.32 O ATOM 926 ND2 ASN A 58 2.903 2.501 25.954 1.00 42.31 N ATOM 0 H ASN A 58 1.857 1.294 24.208 1.00 52.24 H new ATOM 0 HA ASN A 58 -0.673 1.346 25.529 1.00 23.24 H new ATOM 0 HB2 ASN A 58 1.078 3.680 24.653 1.00 71.51 H new ATOM 0 HB3 ASN A 58 -0.119 3.688 25.933 1.00 71.51 H new ATOM 0 HD21 ASN A 58 3.658 2.216 26.578 1.00 42.31 H new ATOM 0 HD22 ASN A 58 3.096 2.678 24.968 1.00 42.31 H new ATOM 933 N ASP A 59 -0.443 2.639 22.504 1.00 60.34 N ATOM 934 CA ASP A 59 -1.176 3.270 21.411 1.00 24.20 C ATOM 935 C ASP A 59 -2.226 2.327 20.782 1.00 24.41 C ATOM 936 O ASP A 59 -3.375 2.726 20.564 1.00 65.11 O ATOM 937 CB ASP A 59 -0.184 3.755 20.350 1.00 71.11 C ATOM 938 CG ASP A 59 -0.830 4.709 19.369 1.00 12.21 C ATOM 939 OD1 ASP A 59 -1.167 5.841 19.784 1.00 63.45 O ATOM 940 OD2 ASP A 59 -1.024 4.332 18.200 1.00 2.23 O1- ATOM 0 H ASP A 59 0.532 2.429 22.289 1.00 60.34 H new ATOM 0 HA ASP A 59 -1.725 4.118 21.821 1.00 24.20 H new ATOM 0 HB2 ASP A 59 0.656 4.249 20.837 1.00 71.11 H new ATOM 0 HB3 ASP A 59 0.219 2.898 19.811 1.00 71.11 H new ATOM 945 N VAL A 60 -1.845 1.069 20.536 1.00 70.25 N ATOM 946 CA VAL A 60 -2.759 0.082 19.944 1.00 63.13 C ATOM 947 C VAL A 60 -3.924 -0.224 20.894 1.00 2.20 C ATOM 948 O VAL A 60 -5.049 -0.468 20.462 1.00 42.22 O ATOM 949 CB VAL A 60 -2.025 -1.238 19.576 1.00 10.33 C ATOM 950 CG1 VAL A 60 -1.517 -1.962 20.826 1.00 32.40 C ATOM 951 CG2 VAL A 60 -2.930 -2.151 18.744 1.00 50.11 C ATOM 0 H VAL A 60 -0.912 0.709 20.737 1.00 70.25 H new ATOM 0 HA VAL A 60 -3.150 0.522 19.027 1.00 63.13 H new ATOM 0 HB VAL A 60 -1.157 -0.977 18.971 1.00 10.33 H new ATOM 0 HG11 VAL A 60 -1.009 -2.881 20.533 1.00 32.40 H new ATOM 0 HG12 VAL A 60 -0.821 -1.317 21.362 1.00 32.40 H new ATOM 0 HG13 VAL A 60 -2.359 -2.204 21.474 1.00 32.40 H new ATOM 0 HG21 VAL A 60 -2.395 -3.068 18.499 1.00 50.11 H new ATOM 0 HG22 VAL A 60 -3.825 -2.395 19.316 1.00 50.11 H new ATOM 0 HG23 VAL A 60 -3.215 -1.640 17.824 1.00 50.11 H new ATOM 961 N ARG A 61 -3.643 -0.184 22.194 1.00 3.12 N ATOM 962 CA ARG A 61 -4.671 -0.367 23.219 1.00 2.14 C ATOM 963 C ARG A 61 -5.790 0.672 23.057 1.00 52.51 C ATOM 964 O ARG A 61 -6.970 0.366 23.221 1.00 64.45 O ATOM 965 CB ARG A 61 -4.037 -0.251 24.612 1.00 32.15 C ATOM 966 CG ARG A 61 -5.014 -0.458 25.765 1.00 33.24 C ATOM 967 CD ARG A 61 -4.315 -0.312 27.111 1.00 12.34 C ATOM 968 NE ARG A 61 -5.214 -0.552 28.240 1.00 64.32 N ATOM 969 CZ ARG A 61 -4.814 -0.694 29.476 1.00 1.10 C ATOM 970 NH1 ARG A 61 -3.563 -0.569 29.785 1.00 61.13 N1+ ATOM 971 NH2 ARG A 61 -5.672 -0.941 30.412 1.00 31.53 N ATOM 0 H ARG A 61 -2.706 -0.026 22.566 1.00 3.12 H new ATOM 0 HA ARG A 61 -5.108 -1.359 23.104 1.00 2.14 H new ATOM 0 HB2 ARG A 61 -3.234 -0.984 24.695 1.00 32.15 H new ATOM 0 HB3 ARG A 61 -3.581 0.734 24.710 1.00 32.15 H new ATOM 0 HG2 ARG A 61 -5.825 0.267 25.693 1.00 33.24 H new ATOM 0 HG3 ARG A 61 -5.464 -1.448 25.691 1.00 33.24 H new ATOM 0 HD2 ARG A 61 -3.480 -1.011 27.161 1.00 12.34 H new ATOM 0 HD3 ARG A 61 -3.896 0.691 27.192 1.00 12.34 H new ATOM 0 HE ARG A 61 -6.214 -0.612 28.051 1.00 64.32 H new ATOM 0 HH11 ARG A 61 -2.877 -0.357 29.060 1.00 61.13 H new ATOM 0 HH12 ARG A 61 -3.263 -0.682 30.753 1.00 61.13 H new ATOM 0 HH21 ARG A 61 -6.663 -1.025 30.186 1.00 31.53 H new ATOM 0 HH22 ARG A 61 -5.357 -1.051 31.376 1.00 31.53 H new ATOM 985 N LYS A 62 -5.406 1.906 22.728 1.00 20.53 N ATOM 986 CA LYS A 62 -6.372 2.993 22.520 1.00 11.24 C ATOM 987 C LYS A 62 -6.892 3.041 21.067 1.00 42.42 C ATOM 988 O LYS A 62 -7.878 3.721 20.775 1.00 25.34 O ATOM 989 CB LYS A 62 -5.743 4.337 22.914 1.00 31.42 C ATOM 990 CG LYS A 62 -5.309 4.395 24.379 1.00 10.22 C ATOM 991 CD LYS A 62 -4.839 5.789 24.793 1.00 51.01 C ATOM 992 CE LYS A 62 -3.617 6.248 24.004 1.00 24.54 C ATOM 993 NZ LYS A 62 -3.123 7.571 24.474 1.00 32.13 N1+ ATOM 0 H LYS A 62 -4.432 2.181 22.599 1.00 20.53 H new ATOM 0 HA LYS A 62 -7.233 2.797 23.160 1.00 11.24 H new ATOM 0 HB2 LYS A 62 -4.878 4.526 22.278 1.00 31.42 H new ATOM 0 HB3 LYS A 62 -6.460 5.136 22.723 1.00 31.42 H new ATOM 0 HG2 LYS A 62 -6.142 4.092 25.014 1.00 10.22 H new ATOM 0 HG3 LYS A 62 -4.504 3.679 24.545 1.00 10.22 H new ATOM 0 HD2 LYS A 62 -5.651 6.501 24.647 1.00 51.01 H new ATOM 0 HD3 LYS A 62 -4.602 5.789 25.857 1.00 51.01 H new ATOM 0 HE2 LYS A 62 -2.823 5.508 24.100 1.00 24.54 H new ATOM 0 HE3 LYS A 62 -3.869 6.309 22.945 1.00 24.54 H new ATOM 0 HZ1 LYS A 62 -2.636 8.057 23.694 1.00 32.13 H new ATOM 0 HZ2 LYS A 62 -3.927 8.148 24.793 1.00 32.13 H new ATOM 0 HZ3 LYS A 62 -2.460 7.434 25.264 1.00 32.13 H new ATOM 1007 N LYS A 63 -6.213 2.339 20.157 1.00 72.33 N ATOM 1008 CA LYS A 63 -6.653 2.238 18.750 1.00 63.25 C ATOM 1009 C LYS A 63 -7.258 0.859 18.433 1.00 42.21 C ATOM 1010 O LYS A 63 -7.426 0.504 17.265 1.00 3.51 O ATOM 1011 CB LYS A 63 -5.487 2.534 17.782 1.00 33.44 C ATOM 1012 CG LYS A 63 -5.589 3.897 17.095 1.00 55.31 C ATOM 1013 CD LYS A 63 -5.446 5.053 18.081 1.00 54.15 C ATOM 1014 CE LYS A 63 -4.021 5.173 18.594 1.00 64.51 C ATOM 1015 NZ LYS A 63 -3.902 6.139 19.712 1.00 3.13 N1+ ATOM 0 H LYS A 63 -5.354 1.829 20.363 1.00 72.33 H new ATOM 0 HA LYS A 63 -7.431 2.988 18.609 1.00 63.25 H new ATOM 0 HB2 LYS A 63 -4.548 2.484 18.333 1.00 33.44 H new ATOM 0 HB3 LYS A 63 -5.452 1.755 17.021 1.00 33.44 H new ATOM 0 HG2 LYS A 63 -4.815 3.976 16.331 1.00 55.31 H new ATOM 0 HG3 LYS A 63 -6.549 3.974 16.585 1.00 55.31 H new ATOM 0 HD2 LYS A 63 -5.739 5.984 17.597 1.00 54.15 H new ATOM 0 HD3 LYS A 63 -6.125 4.903 18.921 1.00 54.15 H new ATOM 0 HE2 LYS A 63 -3.673 4.194 18.925 1.00 64.51 H new ATOM 0 HE3 LYS A 63 -3.369 5.484 17.778 1.00 64.51 H new ATOM 0 HZ1 LYS A 63 -2.902 6.236 19.982 1.00 3.13 H new ATOM 0 HZ2 LYS A 63 -4.271 7.064 19.412 1.00 3.13 H new ATOM 0 HZ3 LYS A 63 -4.449 5.796 20.527 1.00 3.13 H new ATOM 1029 N THR A 64 -7.588 0.088 19.468 1.00 24.10 N ATOM 1030 CA THR A 64 -8.172 -1.246 19.269 1.00 24.42 C ATOM 1031 C THR A 64 -9.541 -1.164 18.575 1.00 53.42 C ATOM 1032 O THR A 64 -10.431 -0.431 19.010 1.00 51.14 O ATOM 1033 CB THR A 64 -8.333 -2.026 20.600 1.00 20.24 C ATOM 1034 OG1 THR A 64 -8.952 -3.299 20.351 1.00 53.43 O ATOM 1035 CG2 THR A 64 -9.166 -1.247 21.617 1.00 52.12 C ATOM 0 H THR A 64 -7.464 0.356 20.444 1.00 24.10 H new ATOM 0 HA THR A 64 -7.470 -1.784 18.632 1.00 24.42 H new ATOM 0 HB THR A 64 -7.337 -2.171 21.018 1.00 20.24 H new ATOM 0 HG1 THR A 64 -9.865 -3.294 20.708 1.00 53.43 H new ATOM 0 HG21 THR A 64 -9.255 -1.827 22.535 1.00 52.12 H new ATOM 0 HG22 THR A 64 -8.679 -0.296 21.834 1.00 52.12 H new ATOM 0 HG23 THR A 64 -10.159 -1.061 21.208 1.00 52.12 H new ATOM 1043 N LYS A 65 -9.701 -1.927 17.496 1.00 53.52 N ATOM 1044 CA LYS A 65 -10.929 -1.891 16.692 1.00 0.13 C ATOM 1045 C LYS A 65 -12.156 -2.288 17.534 1.00 1.52 C ATOM 1046 O LYS A 65 -13.219 -1.673 17.436 1.00 25.40 O ATOM 1047 CB LYS A 65 -10.774 -2.825 15.471 1.00 61.01 C ATOM 1048 CG LYS A 65 -11.559 -2.392 14.227 1.00 64.54 C ATOM 1049 CD LYS A 65 -13.070 -2.583 14.365 1.00 11.10 C ATOM 1050 CE LYS A 65 -13.446 -4.048 14.560 1.00 0.23 C ATOM 1051 NZ LYS A 65 -14.918 -4.260 14.533 1.00 42.21 N1+ ATOM 0 H LYS A 65 -8.996 -2.580 17.154 1.00 53.52 H new ATOM 0 HA LYS A 65 -11.090 -0.871 16.342 1.00 0.13 H new ATOM 0 HB2 LYS A 65 -9.717 -2.889 15.212 1.00 61.01 H new ATOM 0 HB3 LYS A 65 -11.094 -3.827 15.755 1.00 61.01 H new ATOM 0 HG2 LYS A 65 -11.350 -1.342 14.022 1.00 64.54 H new ATOM 0 HG3 LYS A 65 -11.205 -2.961 13.367 1.00 64.54 H new ATOM 0 HD2 LYS A 65 -13.433 -2.000 15.211 1.00 11.10 H new ATOM 0 HD3 LYS A 65 -13.567 -2.197 13.475 1.00 11.10 H new ATOM 0 HE2 LYS A 65 -12.980 -4.648 13.778 1.00 0.23 H new ATOM 0 HE3 LYS A 65 -13.048 -4.400 15.512 1.00 0.23 H new ATOM 0 HZ1 LYS A 65 -15.126 -5.270 14.669 1.00 42.21 H new ATOM 0 HZ2 LYS A 65 -15.362 -3.709 15.295 1.00 42.21 H new ATOM 0 HZ3 LYS A 65 -15.297 -3.950 13.616 1.00 42.21 H new ATOM 1065 N ASN A 66 -11.998 -3.315 18.364 1.00 45.22 N ATOM 1066 CA ASN A 66 -13.090 -3.811 19.215 1.00 2.41 C ATOM 1067 C ASN A 66 -12.688 -3.827 20.699 1.00 64.42 C ATOM 1068 O ASN A 66 -11.581 -4.239 21.052 1.00 60.13 O ATOM 1069 CB ASN A 66 -13.512 -5.215 18.759 1.00 43.13 C ATOM 1070 CG ASN A 66 -14.663 -5.787 19.573 1.00 33.31 C ATOM 1071 OD1 ASN A 66 -15.462 -5.058 20.146 1.00 13.24 O ATOM 1072 ND2 ASN A 66 -14.759 -7.099 19.630 1.00 41.32 N ATOM 0 H ASN A 66 -11.122 -3.826 18.470 1.00 45.22 H new ATOM 0 HA ASN A 66 -13.935 -3.130 19.111 1.00 2.41 H new ATOM 0 HB2 ASN A 66 -13.801 -5.178 17.709 1.00 43.13 H new ATOM 0 HB3 ASN A 66 -12.656 -5.886 18.830 1.00 43.13 H new ATOM 0 HD21 ASN A 66 -15.514 -7.533 20.162 1.00 41.32 H new ATOM 0 HD22 ASN A 66 -14.079 -7.682 19.142 1.00 41.32 H new ATOM 1079 N GLU A 67 -13.599 -3.376 21.560 1.00 25.34 N ATOM 1080 CA GLU A 67 -13.383 -3.366 23.017 1.00 31.34 C ATOM 1081 C GLU A 67 -12.969 -4.759 23.537 1.00 15.11 C ATOM 1082 O GLU A 67 -12.095 -4.886 24.395 1.00 34.10 O ATOM 1083 CB GLU A 67 -14.675 -2.900 23.713 1.00 25.41 C ATOM 1084 CG GLU A 67 -14.592 -2.812 25.237 1.00 45.03 C ATOM 1085 CD GLU A 67 -13.565 -1.802 25.732 1.00 60.11 C ATOM 1086 OE1 GLU A 67 -13.640 -0.618 25.331 1.00 11.43 O ATOM 1087 OE2 GLU A 67 -12.700 -2.178 26.551 1.00 42.50 O1- ATOM 0 H GLU A 67 -14.506 -3.007 21.275 1.00 25.34 H new ATOM 0 HA GLU A 67 -12.569 -2.678 23.244 1.00 31.34 H new ATOM 0 HB2 GLU A 67 -14.947 -1.920 23.322 1.00 25.41 H new ATOM 0 HB3 GLU A 67 -15.480 -3.584 23.447 1.00 25.41 H new ATOM 0 HG2 GLU A 67 -15.572 -2.545 25.632 1.00 45.03 H new ATOM 0 HG3 GLU A 67 -14.345 -3.795 25.637 1.00 45.03 H new ATOM 1094 N GLU A 68 -13.597 -5.796 22.989 1.00 71.44 N ATOM 1095 CA GLU A 68 -13.298 -7.190 23.355 1.00 34.33 C ATOM 1096 C GLU A 68 -11.894 -7.618 22.885 1.00 51.04 C ATOM 1097 O GLU A 68 -11.229 -8.439 23.523 1.00 14.54 O ATOM 1098 CB GLU A 68 -14.354 -8.115 22.735 1.00 23.21 C ATOM 1099 CG GLU A 68 -15.788 -7.742 23.098 1.00 74.12 C ATOM 1100 CD GLU A 68 -16.815 -8.504 22.278 1.00 71.44 C ATOM 1101 OE1 GLU A 68 -17.142 -8.054 21.161 1.00 41.13 O ATOM 1102 OE2 GLU A 68 -17.294 -9.563 22.736 1.00 24.01 O1- ATOM 0 H GLU A 68 -14.325 -5.701 22.281 1.00 71.44 H new ATOM 0 HA GLU A 68 -13.320 -7.266 24.442 1.00 34.33 H new ATOM 0 HB2 GLU A 68 -14.247 -8.097 21.650 1.00 23.21 H new ATOM 0 HB3 GLU A 68 -14.162 -9.138 23.058 1.00 23.21 H new ATOM 0 HG2 GLU A 68 -15.954 -7.940 24.157 1.00 74.12 H new ATOM 0 HG3 GLU A 68 -15.930 -6.672 22.948 1.00 74.12 H new ATOM 1109 N LEU A 69 -11.450 -7.041 21.769 1.00 33.40 N ATOM 1110 CA LEU A 69 -10.176 -7.413 21.139 1.00 10.04 C ATOM 1111 C LEU A 69 -8.994 -7.179 22.096 1.00 3.12 C ATOM 1112 O LEU A 69 -8.085 -8.002 22.178 1.00 53.43 O ATOM 1113 CB LEU A 69 -9.997 -6.601 19.836 1.00 73.22 C ATOM 1114 CG LEU A 69 -8.961 -7.127 18.814 1.00 52.14 C ATOM 1115 CD1 LEU A 69 -9.124 -6.409 17.475 1.00 25.42 C ATOM 1116 CD2 LEU A 69 -7.526 -6.962 19.319 1.00 33.02 C ATOM 0 H LEU A 69 -11.957 -6.306 21.276 1.00 33.40 H new ATOM 0 HA LEU A 69 -10.195 -8.477 20.902 1.00 10.04 H new ATOM 0 HB2 LEU A 69 -10.965 -6.544 19.338 1.00 73.22 H new ATOM 0 HB3 LEU A 69 -9.717 -5.583 20.108 1.00 73.22 H new ATOM 0 HG LEU A 69 -9.149 -8.193 18.681 1.00 52.14 H new ATOM 0 HD11 LEU A 69 -8.389 -6.789 16.766 1.00 25.42 H new ATOM 0 HD12 LEU A 69 -10.127 -6.586 17.087 1.00 25.42 H new ATOM 0 HD13 LEU A 69 -8.973 -5.339 17.615 1.00 25.42 H new ATOM 0 HD21 LEU A 69 -6.831 -7.344 18.571 1.00 33.02 H new ATOM 0 HD22 LEU A 69 -7.322 -5.906 19.498 1.00 33.02 H new ATOM 0 HD23 LEU A 69 -7.401 -7.518 20.248 1.00 33.02 H new ATOM 1128 N ALA A 70 -9.026 -6.070 22.837 1.00 2.15 N ATOM 1129 CA ALA A 70 -7.931 -5.717 23.756 1.00 75.35 C ATOM 1130 C ALA A 70 -7.650 -6.832 24.782 1.00 15.33 C ATOM 1131 O ALA A 70 -6.496 -7.128 25.096 1.00 63.01 O ATOM 1132 CB ALA A 70 -8.252 -4.408 24.472 1.00 14.43 C ATOM 0 H ALA A 70 -9.794 -5.399 22.822 1.00 2.15 H new ATOM 0 HA ALA A 70 -7.028 -5.593 23.158 1.00 75.35 H new ATOM 0 HB1 ALA A 70 -7.437 -4.155 25.150 1.00 14.43 H new ATOM 0 HB2 ALA A 70 -8.374 -3.612 23.737 1.00 14.43 H new ATOM 0 HB3 ALA A 70 -9.175 -4.521 25.041 1.00 14.43 H new ATOM 1138 N LYS A 71 -8.713 -7.453 25.287 1.00 0.24 N ATOM 1139 CA LYS A 71 -8.588 -8.529 26.279 1.00 34.54 C ATOM 1140 C LYS A 71 -7.939 -9.780 25.663 1.00 42.41 C ATOM 1141 O LYS A 71 -7.152 -10.470 26.313 1.00 61.33 O ATOM 1142 CB LYS A 71 -9.964 -8.878 26.879 1.00 32.23 C ATOM 1143 CG LYS A 71 -10.564 -7.782 27.770 1.00 21.30 C ATOM 1144 CD LYS A 71 -10.877 -6.501 26.992 1.00 64.35 C ATOM 1145 CE LYS A 71 -11.395 -5.388 27.895 1.00 13.30 C ATOM 1146 NZ LYS A 71 -12.664 -5.760 28.567 1.00 34.43 N1+ ATOM 0 H LYS A 71 -9.675 -7.232 25.028 1.00 0.24 H new ATOM 0 HA LYS A 71 -7.940 -8.171 27.079 1.00 34.54 H new ATOM 0 HB2 LYS A 71 -10.658 -9.089 26.066 1.00 32.23 H new ATOM 0 HB3 LYS A 71 -9.870 -9.793 27.463 1.00 32.23 H new ATOM 0 HG2 LYS A 71 -11.478 -8.154 28.233 1.00 21.30 H new ATOM 0 HG3 LYS A 71 -9.868 -7.553 28.577 1.00 21.30 H new ATOM 0 HD2 LYS A 71 -9.977 -6.161 26.479 1.00 64.35 H new ATOM 0 HD3 LYS A 71 -11.619 -6.717 26.224 1.00 64.35 H new ATOM 0 HE2 LYS A 71 -10.642 -5.152 28.647 1.00 13.30 H new ATOM 0 HE3 LYS A 71 -11.549 -4.485 27.305 1.00 13.30 H new ATOM 0 HZ1 LYS A 71 -13.042 -4.936 29.076 1.00 34.43 H new ATOM 0 HZ2 LYS A 71 -13.354 -6.074 27.856 1.00 34.43 H new ATOM 0 HZ3 LYS A 71 -12.487 -6.532 29.241 1.00 34.43 H new ATOM 1160 N ARG A 72 -8.280 -10.060 24.406 1.00 0.24 N ATOM 1161 CA ARG A 72 -7.696 -11.183 23.659 1.00 54.50 C ATOM 1162 C ARG A 72 -6.224 -10.903 23.295 1.00 43.14 C ATOM 1163 O ARG A 72 -5.353 -11.762 23.442 1.00 43.32 O ATOM 1164 CB ARG A 72 -8.522 -11.422 22.385 1.00 32.11 C ATOM 1165 CG ARG A 72 -9.970 -11.838 22.656 1.00 43.24 C ATOM 1166 CD ARG A 72 -10.849 -11.715 21.410 1.00 42.24 C ATOM 1167 NE ARG A 72 -10.320 -12.462 20.269 1.00 1.35 N ATOM 1168 CZ ARG A 72 -10.867 -12.475 19.081 1.00 42.21 C ATOM 1169 NH1 ARG A 72 -11.970 -11.835 18.853 1.00 55.14 N1+ ATOM 1170 NH2 ARG A 72 -10.308 -13.139 18.123 1.00 34.22 N ATOM 0 H ARG A 72 -8.964 -9.521 23.876 1.00 0.24 H new ATOM 0 HA ARG A 72 -7.718 -12.074 24.287 1.00 54.50 H new ATOM 0 HB2 ARG A 72 -8.522 -10.511 21.787 1.00 32.11 H new ATOM 0 HB3 ARG A 72 -8.037 -12.195 21.789 1.00 32.11 H new ATOM 0 HG2 ARG A 72 -9.990 -12.868 23.012 1.00 43.24 H new ATOM 0 HG3 ARG A 72 -10.382 -11.217 23.452 1.00 43.24 H new ATOM 0 HD2 ARG A 72 -11.852 -12.075 21.641 1.00 42.24 H new ATOM 0 HD3 ARG A 72 -10.942 -10.663 21.139 1.00 42.24 H new ATOM 0 HE ARG A 72 -9.470 -13.008 20.409 1.00 1.35 H new ATOM 0 HH11 ARG A 72 -12.422 -11.313 19.604 1.00 55.14 H new ATOM 0 HH12 ARG A 72 -12.387 -11.853 17.922 1.00 55.14 H new ATOM 0 HH21 ARG A 72 -9.443 -13.651 18.295 1.00 34.22 H new ATOM 0 HH22 ARG A 72 -10.732 -13.151 17.196 1.00 34.22 H new ATOM 1184 N ALA A 73 -5.967 -9.682 22.829 1.00 5.41 N ATOM 1185 CA ALA A 73 -4.619 -9.232 22.453 1.00 73.53 C ATOM 1186 C ALA A 73 -3.645 -9.240 23.643 1.00 73.12 C ATOM 1187 O ALA A 73 -2.444 -9.443 23.472 1.00 50.13 O ATOM 1188 CB ALA A 73 -4.687 -7.838 21.837 1.00 73.21 C ATOM 0 H ALA A 73 -6.687 -8.971 22.699 1.00 5.41 H new ATOM 0 HA ALA A 73 -4.234 -9.939 21.718 1.00 73.53 H new ATOM 0 HB1 ALA A 73 -3.684 -7.513 21.561 1.00 73.21 H new ATOM 0 HB2 ALA A 73 -5.317 -7.863 20.948 1.00 73.21 H new ATOM 0 HB3 ALA A 73 -5.109 -7.141 22.561 1.00 73.21 H new ATOM 1194 N LYS A 74 -4.179 -9.022 24.841 1.00 11.23 N ATOM 1195 CA LYS A 74 -3.374 -8.868 26.061 1.00 73.21 C ATOM 1196 C LYS A 74 -2.373 -10.026 26.256 1.00 31.14 C ATOM 1197 O LYS A 74 -1.235 -9.806 26.677 1.00 52.44 O ATOM 1198 CB LYS A 74 -4.324 -8.773 27.264 1.00 54.44 C ATOM 1199 CG LYS A 74 -3.644 -8.528 28.607 1.00 12.21 C ATOM 1200 CD LYS A 74 -4.672 -8.440 29.733 1.00 0.03 C ATOM 1201 CE LYS A 74 -4.026 -8.193 31.090 1.00 52.11 C ATOM 1202 NZ LYS A 74 -5.035 -8.152 32.184 1.00 30.12 N1+ ATOM 0 H LYS A 74 -5.184 -8.946 25.000 1.00 11.23 H new ATOM 0 HA LYS A 74 -2.781 -7.958 25.970 1.00 73.21 H new ATOM 0 HB2 LYS A 74 -5.036 -7.968 27.082 1.00 54.44 H new ATOM 0 HB3 LYS A 74 -4.898 -9.697 27.328 1.00 54.44 H new ATOM 0 HG2 LYS A 74 -2.940 -9.334 28.815 1.00 12.21 H new ATOM 0 HG3 LYS A 74 -3.067 -7.604 28.563 1.00 12.21 H new ATOM 0 HD2 LYS A 74 -5.376 -7.636 29.517 1.00 0.03 H new ATOM 0 HD3 LYS A 74 -5.247 -9.366 29.770 1.00 0.03 H new ATOM 0 HE2 LYS A 74 -3.299 -8.979 31.295 1.00 52.11 H new ATOM 0 HE3 LYS A 74 -3.478 -7.251 31.066 1.00 52.11 H new ATOM 0 HZ1 LYS A 74 -4.556 -7.982 33.092 1.00 30.12 H new ATOM 0 HZ2 LYS A 74 -5.714 -7.385 32.002 1.00 30.12 H new ATOM 0 HZ3 LYS A 74 -5.541 -9.060 32.224 1.00 30.12 H new ATOM 1216 N LYS A 75 -2.794 -11.250 25.938 1.00 44.31 N ATOM 1217 CA LYS A 75 -1.902 -12.417 26.012 1.00 11.22 C ATOM 1218 C LYS A 75 -0.732 -12.304 25.020 1.00 31.25 C ATOM 1219 O LYS A 75 0.383 -12.736 25.311 1.00 60.14 O ATOM 1220 CB LYS A 75 -2.680 -13.722 25.777 1.00 13.15 C ATOM 1221 CG LYS A 75 -3.360 -14.271 27.032 1.00 32.11 C ATOM 1222 CD LYS A 75 -4.450 -13.347 27.565 1.00 53.12 C ATOM 1223 CE LYS A 75 -5.038 -13.869 28.873 1.00 5.45 C ATOM 1224 NZ LYS A 75 -5.587 -15.246 28.732 1.00 4.10 N1+ ATOM 0 H LYS A 75 -3.742 -11.463 25.628 1.00 44.31 H new ATOM 0 HA LYS A 75 -1.484 -12.438 27.019 1.00 11.22 H new ATOM 0 HB2 LYS A 75 -3.436 -13.550 25.011 1.00 13.15 H new ATOM 0 HB3 LYS A 75 -1.997 -14.476 25.386 1.00 13.15 H new ATOM 0 HG2 LYS A 75 -3.794 -15.246 26.808 1.00 32.11 H new ATOM 0 HG3 LYS A 75 -2.610 -14.426 27.808 1.00 32.11 H new ATOM 0 HD2 LYS A 75 -4.038 -12.350 27.723 1.00 53.12 H new ATOM 0 HD3 LYS A 75 -5.242 -13.251 26.822 1.00 53.12 H new ATOM 0 HE2 LYS A 75 -4.267 -13.864 29.644 1.00 5.45 H new ATOM 0 HE3 LYS A 75 -5.828 -13.197 29.208 1.00 5.45 H new ATOM 0 HZ1 LYS A 75 -6.123 -15.495 29.587 1.00 4.10 H new ATOM 0 HZ2 LYS A 75 -6.216 -15.286 27.905 1.00 4.10 H new ATOM 0 HZ3 LYS A 75 -4.805 -15.920 28.605 1.00 4.10 H new ATOM 1238 N LEU A 76 -0.989 -11.730 23.846 1.00 3.20 N ATOM 1239 CA LEU A 76 0.067 -11.499 22.850 1.00 41.41 C ATOM 1240 C LEU A 76 1.084 -10.466 23.363 1.00 73.25 C ATOM 1241 O LEU A 76 2.291 -10.618 23.172 1.00 62.31 O ATOM 1242 CB LEU A 76 -0.527 -11.028 21.508 1.00 65.32 C ATOM 1243 CG LEU A 76 -1.329 -12.079 20.711 1.00 20.30 C ATOM 1244 CD1 LEU A 76 -2.599 -12.493 21.450 1.00 61.02 C ATOM 1245 CD2 LEU A 76 -1.665 -11.547 19.319 1.00 61.15 C ATOM 0 H LEU A 76 -1.915 -11.415 23.557 1.00 3.20 H new ATOM 0 HA LEU A 76 0.579 -12.448 22.687 1.00 41.41 H new ATOM 0 HB2 LEU A 76 -1.178 -10.175 21.702 1.00 65.32 H new ATOM 0 HB3 LEU A 76 0.288 -10.670 20.879 1.00 65.32 H new ATOM 0 HG LEU A 76 -0.705 -12.967 20.607 1.00 20.30 H new ATOM 0 HD11 LEU A 76 -3.138 -13.234 20.860 1.00 61.02 H new ATOM 0 HD12 LEU A 76 -2.334 -12.922 22.416 1.00 61.02 H new ATOM 0 HD13 LEU A 76 -3.233 -11.619 21.602 1.00 61.02 H new ATOM 0 HD21 LEU A 76 -2.231 -12.299 18.769 1.00 61.15 H new ATOM 0 HD22 LEU A 76 -2.262 -10.639 19.411 1.00 61.15 H new ATOM 0 HD23 LEU A 76 -0.743 -11.322 18.783 1.00 61.15 H new ATOM 1257 N LEU A 77 0.579 -9.421 24.022 1.00 24.00 N ATOM 1258 CA LEU A 77 1.431 -8.397 24.644 1.00 42.12 C ATOM 1259 C LEU A 77 2.410 -9.018 25.654 1.00 31.22 C ATOM 1260 O LEU A 77 3.523 -8.520 25.840 1.00 23.31 O ATOM 1261 CB LEU A 77 0.573 -7.317 25.331 1.00 1.34 C ATOM 1262 CG LEU A 77 0.002 -6.223 24.404 1.00 63.55 C ATOM 1263 CD1 LEU A 77 -0.813 -6.820 23.260 1.00 43.11 C ATOM 1264 CD2 LEU A 77 -0.839 -5.229 25.204 1.00 42.34 C ATOM 0 H LEU A 77 -0.421 -9.258 24.141 1.00 24.00 H new ATOM 0 HA LEU A 77 2.014 -7.930 23.850 1.00 42.12 H new ATOM 0 HB2 LEU A 77 -0.258 -7.808 25.837 1.00 1.34 H new ATOM 0 HB3 LEU A 77 1.176 -6.836 26.101 1.00 1.34 H new ATOM 0 HG LEU A 77 0.845 -5.692 23.962 1.00 63.55 H new ATOM 0 HD11 LEU A 77 -1.198 -6.018 22.630 1.00 43.11 H new ATOM 0 HD12 LEU A 77 -0.178 -7.476 22.665 1.00 43.11 H new ATOM 0 HD13 LEU A 77 -1.646 -7.393 23.667 1.00 43.11 H new ATOM 0 HD21 LEU A 77 -1.234 -4.465 24.535 1.00 42.34 H new ATOM 0 HD22 LEU A 77 -1.666 -5.754 25.683 1.00 42.34 H new ATOM 0 HD23 LEU A 77 -0.218 -4.758 25.966 1.00 42.34 H new ATOM 1276 N ARG A 78 1.992 -10.107 26.303 1.00 72.34 N ATOM 1277 CA ARG A 78 2.861 -10.829 27.239 1.00 63.41 C ATOM 1278 C ARG A 78 4.182 -11.249 26.574 1.00 42.23 C ATOM 1279 O ARG A 78 5.245 -11.165 27.188 1.00 43.34 O ATOM 1280 CB ARG A 78 2.147 -12.067 27.805 1.00 54.22 C ATOM 1281 CG ARG A 78 1.099 -11.758 28.872 1.00 31.33 C ATOM 1282 CD ARG A 78 1.704 -11.016 30.065 1.00 70.00 C ATOM 1283 NE ARG A 78 0.973 -11.284 31.302 1.00 42.32 N ATOM 1284 CZ ARG A 78 1.338 -10.851 32.479 1.00 41.12 C ATOM 1285 NH1 ARG A 78 2.341 -10.047 32.608 1.00 31.24 N1+ ATOM 1286 NH2 ARG A 78 0.684 -11.214 33.530 1.00 13.14 N ATOM 0 H ARG A 78 1.060 -10.508 26.199 1.00 72.34 H new ATOM 0 HA ARG A 78 3.091 -10.146 28.057 1.00 63.41 H new ATOM 0 HB2 ARG A 78 1.667 -12.601 26.985 1.00 54.22 H new ATOM 0 HB3 ARG A 78 2.893 -12.739 28.229 1.00 54.22 H new ATOM 0 HG2 ARG A 78 0.302 -11.156 28.435 1.00 31.33 H new ATOM 0 HG3 ARG A 78 0.644 -12.687 29.215 1.00 31.33 H new ATOM 0 HD2 ARG A 78 2.745 -11.314 30.187 1.00 70.00 H new ATOM 0 HD3 ARG A 78 1.700 -9.944 29.866 1.00 70.00 H new ATOM 0 HE ARG A 78 0.123 -11.845 31.242 1.00 42.32 H new ATOM 0 HH11 ARG A 78 2.859 -9.742 31.784 1.00 31.24 H new ATOM 0 HH12 ARG A 78 2.614 -9.717 33.534 1.00 31.24 H new ATOM 0 HH21 ARG A 78 -0.117 -11.839 33.441 1.00 13.14 H new ATOM 0 HH22 ARG A 78 0.968 -10.876 34.450 1.00 13.14 H new ATOM 1300 N SER A 79 4.116 -11.677 25.311 1.00 44.33 N ATOM 1301 CA SER A 79 5.327 -12.062 24.562 1.00 21.11 C ATOM 1302 C SER A 79 6.301 -10.883 24.436 1.00 1.02 C ATOM 1303 O SER A 79 7.510 -11.071 24.316 1.00 61.34 O ATOM 1304 CB SER A 79 4.966 -12.575 23.160 1.00 11.52 C ATOM 1305 OG SER A 79 6.125 -12.964 22.431 1.00 3.22 O ATOM 0 H SER A 79 3.247 -11.767 24.784 1.00 44.33 H new ATOM 0 HA SER A 79 5.811 -12.862 25.122 1.00 21.11 H new ATOM 0 HB2 SER A 79 4.287 -13.424 23.246 1.00 11.52 H new ATOM 0 HB3 SER A 79 4.435 -11.796 22.612 1.00 11.52 H new ATOM 0 HG SER A 79 5.882 -13.134 21.497 1.00 3.22 H new ATOM 1311 N TRP A 80 5.753 -9.671 24.447 1.00 41.41 N ATOM 1312 CA TRP A 80 6.555 -8.443 24.397 1.00 32.01 C ATOM 1313 C TRP A 80 7.050 -8.065 25.804 1.00 13.31 C ATOM 1314 O TRP A 80 8.147 -7.539 25.975 1.00 52.44 O ATOM 1315 CB TRP A 80 5.716 -7.296 23.812 1.00 5.14 C ATOM 1316 CG TRP A 80 5.206 -7.544 22.416 1.00 31.21 C ATOM 1317 CD1 TRP A 80 5.132 -8.740 21.755 1.00 34.45 C ATOM 1318 CD2 TRP A 80 4.683 -6.562 21.514 1.00 41.31 C ATOM 1319 NE1 TRP A 80 4.602 -8.557 20.503 1.00 73.21 N ATOM 1320 CE2 TRP A 80 4.316 -7.229 20.331 1.00 1.42 C ATOM 1321 CE3 TRP A 80 4.493 -5.183 21.595 1.00 53.23 C ATOM 1322 CZ2 TRP A 80 3.766 -6.562 19.239 1.00 22.44 C ATOM 1323 CZ3 TRP A 80 3.947 -4.519 20.515 1.00 34.10 C ATOM 1324 CH2 TRP A 80 3.589 -5.209 19.348 1.00 33.32 C ATOM 0 H TRP A 80 4.747 -9.508 24.490 1.00 41.41 H new ATOM 0 HA TRP A 80 7.421 -8.617 23.759 1.00 32.01 H new ATOM 0 HB2 TRP A 80 4.866 -7.113 24.469 1.00 5.14 H new ATOM 0 HB3 TRP A 80 6.318 -6.387 23.809 1.00 5.14 H new ATOM 0 HD1 TRP A 80 5.446 -9.691 22.160 1.00 34.45 H new ATOM 0 HE1 TRP A 80 4.446 -9.291 19.812 1.00 73.21 H new ATOM 0 HE3 TRP A 80 4.769 -4.643 22.489 1.00 53.23 H new ATOM 0 HZ2 TRP A 80 3.489 -7.092 18.340 1.00 22.44 H new ATOM 0 HZ3 TRP A 80 3.793 -3.451 20.570 1.00 34.10 H new ATOM 0 HH2 TRP A 80 3.165 -4.662 18.519 1.00 33.32 H new ATOM 1335 N GLN A 81 6.218 -8.347 26.808 1.00 1.43 N ATOM 1336 CA GLN A 81 6.553 -8.105 28.221 1.00 71.31 C ATOM 1337 C GLN A 81 7.579 -9.128 28.746 1.00 51.20 C ATOM 1338 O GLN A 81 8.199 -8.924 29.792 1.00 63.32 O ATOM 1339 CB GLN A 81 5.282 -8.130 29.084 1.00 20.30 C ATOM 1340 CG GLN A 81 4.240 -7.090 28.679 1.00 72.20 C ATOM 1341 CD GLN A 81 4.781 -5.667 28.700 1.00 31.52 C ATOM 1342 OE1 GLN A 81 4.712 -4.970 29.708 1.00 55.51 O ATOM 1343 NE2 GLN A 81 5.321 -5.219 27.583 1.00 63.22 N ATOM 0 H GLN A 81 5.291 -8.750 26.669 1.00 1.43 H new ATOM 0 HA GLN A 81 7.008 -7.117 28.288 1.00 71.31 H new ATOM 0 HB2 GLN A 81 4.834 -9.122 29.025 1.00 20.30 H new ATOM 0 HB3 GLN A 81 5.558 -7.967 30.126 1.00 20.30 H new ATOM 0 HG2 GLN A 81 3.876 -7.320 27.678 1.00 72.20 H new ATOM 0 HG3 GLN A 81 3.386 -7.158 29.353 1.00 72.20 H new ATOM 0 HE21 GLN A 81 5.365 -5.821 26.761 1.00 63.22 H new ATOM 0 HE22 GLN A 81 5.695 -4.271 27.542 1.00 63.22 H new ATOM 1352 N LYS A 82 7.753 -10.222 28.002 1.00 73.42 N ATOM 1353 CA LYS A 82 8.630 -11.337 28.395 1.00 23.05 C ATOM 1354 C LYS A 82 10.082 -10.889 28.673 1.00 44.23 C ATOM 1355 O LYS A 82 10.850 -11.618 29.306 1.00 44.12 O ATOM 1356 CB LYS A 82 8.565 -12.414 27.276 1.00 64.35 C ATOM 1357 CG LYS A 82 9.783 -13.340 27.130 1.00 61.44 C ATOM 1358 CD LYS A 82 10.909 -12.695 26.309 1.00 11.04 C ATOM 1359 CE LYS A 82 12.037 -13.674 26.008 1.00 33.31 C ATOM 1360 NZ LYS A 82 11.640 -14.689 24.998 1.00 64.23 N1+ ATOM 0 H LYS A 82 7.289 -10.364 27.105 1.00 73.42 H new ATOM 0 HA LYS A 82 8.276 -11.752 29.339 1.00 23.05 H new ATOM 0 HB2 LYS A 82 7.687 -13.034 27.453 1.00 64.35 H new ATOM 0 HB3 LYS A 82 8.410 -11.906 26.324 1.00 64.35 H new ATOM 0 HG2 LYS A 82 10.160 -13.600 28.119 1.00 61.44 H new ATOM 0 HG3 LYS A 82 9.475 -14.270 26.652 1.00 61.44 H new ATOM 0 HD2 LYS A 82 10.501 -12.315 25.372 1.00 11.04 H new ATOM 0 HD3 LYS A 82 11.309 -11.839 26.853 1.00 11.04 H new ATOM 0 HE2 LYS A 82 12.907 -13.125 25.647 1.00 33.31 H new ATOM 0 HE3 LYS A 82 12.336 -14.176 26.928 1.00 33.31 H new ATOM 0 HZ1 LYS A 82 12.452 -15.303 24.785 1.00 64.23 H new ATOM 0 HZ2 LYS A 82 10.859 -15.265 25.373 1.00 64.23 H new ATOM 0 HZ3 LYS A 82 11.331 -14.210 24.128 1.00 64.23 H new ATOM 1374 N LEU A 83 10.459 -9.693 28.218 1.00 44.04 N ATOM 1375 CA LEU A 83 11.796 -9.156 28.505 1.00 75.45 C ATOM 1376 C LEU A 83 11.969 -8.783 29.997 1.00 70.11 C ATOM 1377 O LEU A 83 13.055 -8.941 30.555 1.00 3.04 O ATOM 1378 CB LEU A 83 12.138 -7.961 27.579 1.00 11.32 C ATOM 1379 CG LEU A 83 10.973 -7.025 27.181 1.00 42.33 C ATOM 1380 CD1 LEU A 83 10.377 -6.309 28.387 1.00 14.31 C ATOM 1381 CD2 LEU A 83 11.431 -6.009 26.134 1.00 60.03 C ATOM 0 H LEU A 83 9.867 -9.082 27.655 1.00 44.04 H new ATOM 0 HA LEU A 83 12.508 -9.953 28.294 1.00 75.45 H new ATOM 0 HB2 LEU A 83 12.903 -7.360 28.071 1.00 11.32 H new ATOM 0 HB3 LEU A 83 12.582 -8.357 26.665 1.00 11.32 H new ATOM 0 HG LEU A 83 10.191 -7.650 26.751 1.00 42.33 H new ATOM 0 HD11 LEU A 83 9.562 -5.663 28.060 1.00 14.31 H new ATOM 0 HD12 LEU A 83 9.995 -7.045 29.095 1.00 14.31 H new ATOM 0 HD13 LEU A 83 11.147 -5.707 28.870 1.00 14.31 H new ATOM 0 HD21 LEU A 83 10.597 -5.360 25.867 1.00 60.03 H new ATOM 0 HD22 LEU A 83 12.243 -5.407 26.542 1.00 60.03 H new ATOM 0 HD23 LEU A 83 11.780 -6.535 25.245 1.00 60.03 H new ATOM 1393 N ILE A 84 10.907 -8.283 30.638 1.00 71.14 N ATOM 1394 CA ILE A 84 10.961 -7.935 32.072 1.00 1.13 C ATOM 1395 C ILE A 84 10.183 -8.931 32.953 1.00 11.33 C ATOM 1396 O ILE A 84 10.457 -9.063 34.146 1.00 52.14 O ATOM 1397 CB ILE A 84 10.417 -6.509 32.338 1.00 50.44 C ATOM 1398 CG1 ILE A 84 8.970 -6.379 31.832 1.00 61.22 C ATOM 1399 CG2 ILE A 84 11.325 -5.460 31.695 1.00 21.44 C ATOM 1400 CD1 ILE A 84 8.347 -5.025 32.092 1.00 21.45 C ATOM 0 H ILE A 84 10.004 -8.109 30.196 1.00 71.14 H new ATOM 0 HA ILE A 84 12.016 -7.980 32.341 1.00 1.13 H new ATOM 0 HB ILE A 84 10.412 -6.334 33.414 1.00 50.44 H new ATOM 0 HG12 ILE A 84 8.952 -6.576 30.760 1.00 61.22 H new ATOM 0 HG13 ILE A 84 8.359 -7.146 32.308 1.00 61.22 H new ATOM 0 HG21 ILE A 84 10.927 -4.464 31.892 1.00 21.44 H new ATOM 0 HG22 ILE A 84 12.328 -5.540 32.115 1.00 21.44 H new ATOM 0 HG23 ILE A 84 11.368 -5.627 30.619 1.00 21.44 H new ATOM 0 HD11 ILE A 84 7.328 -5.013 31.706 1.00 21.45 H new ATOM 0 HD12 ILE A 84 8.331 -4.832 33.165 1.00 21.45 H new ATOM 0 HD13 ILE A 84 8.933 -4.253 31.593 1.00 21.45 H new ATOM 1412 N GLU A 85 9.220 -9.639 32.363 1.00 33.11 N ATOM 1413 CA GLU A 85 8.371 -10.576 33.114 1.00 40.33 C ATOM 1414 C GLU A 85 8.631 -12.034 32.704 1.00 20.04 C ATOM 1415 O GLU A 85 9.087 -12.304 31.593 1.00 42.12 O ATOM 1416 CB GLU A 85 6.882 -10.253 32.894 1.00 33.21 C ATOM 1417 CG GLU A 85 6.437 -8.899 33.436 1.00 42.42 C ATOM 1418 CD GLU A 85 4.930 -8.704 33.339 1.00 31.34 C ATOM 1419 OE1 GLU A 85 4.228 -8.912 34.356 1.00 0.44 O ATOM 1420 OE2 GLU A 85 4.437 -8.360 32.246 1.00 61.40 O1- ATOM 0 H GLU A 85 9.005 -9.585 31.367 1.00 33.11 H new ATOM 0 HA GLU A 85 8.624 -10.459 34.168 1.00 40.33 H new ATOM 0 HB2 GLU A 85 6.671 -10.289 31.825 1.00 33.21 H new ATOM 0 HB3 GLU A 85 6.282 -11.032 33.364 1.00 33.21 H new ATOM 0 HG2 GLU A 85 6.747 -8.807 34.477 1.00 42.42 H new ATOM 0 HG3 GLU A 85 6.940 -8.106 32.883 1.00 42.42 H new ATOM 1427 N PRO A 86 8.320 -13.004 33.591 1.00 23.51 N ATOM 1428 CA PRO A 86 8.411 -14.440 33.270 1.00 33.11 C ATOM 1429 C PRO A 86 7.268 -14.919 32.352 1.00 41.15 C ATOM 1430 O PRO A 86 6.950 -16.112 32.304 1.00 1.23 O ATOM 1431 CB PRO A 86 8.322 -15.132 34.649 1.00 25.24 C ATOM 1432 CG PRO A 86 8.403 -14.033 35.664 1.00 73.25 C ATOM 1433 CD PRO A 86 7.888 -12.797 34.981 1.00 72.44 C ATOM 0 HA PRO A 86 9.325 -14.669 32.723 1.00 33.11 H new ATOM 0 HB2 PRO A 86 7.389 -15.688 34.748 1.00 25.24 H new ATOM 0 HB3 PRO A 86 9.134 -15.847 34.781 1.00 25.24 H new ATOM 0 HG2 PRO A 86 7.805 -14.270 36.544 1.00 73.25 H new ATOM 0 HG3 PRO A 86 9.429 -13.892 36.004 1.00 73.25 H new ATOM 0 HD2 PRO A 86 6.804 -12.710 35.061 1.00 72.44 H new ATOM 0 HD3 PRO A 86 8.314 -11.889 35.408 1.00 72.44 H new ATOM 1441 N ALA A 87 6.668 -13.992 31.606 1.00 62.10 N ATOM 1442 CA ALA A 87 5.550 -14.309 30.715 1.00 75.22 C ATOM 1443 C ALA A 87 6.037 -14.884 29.375 1.00 61.55 C ATOM 1444 O ALA A 87 6.039 -14.200 28.351 1.00 51.21 O ATOM 1445 CB ALA A 87 4.692 -13.066 30.492 1.00 11.22 C ATOM 0 H ALA A 87 6.939 -13.009 31.601 1.00 62.10 H new ATOM 0 HA ALA A 87 4.943 -15.078 31.194 1.00 75.22 H new ATOM 0 HB1 ALA A 87 3.863 -13.311 29.828 1.00 11.22 H new ATOM 0 HB2 ALA A 87 4.301 -12.718 31.448 1.00 11.22 H new ATOM 0 HB3 ALA A 87 5.299 -12.281 30.040 1.00 11.22 H new ATOM 1451 N HIS A 88 6.470 -16.141 29.395 1.00 44.44 N ATOM 1452 CA HIS A 88 6.930 -16.814 28.179 1.00 64.22 C ATOM 1453 C HIS A 88 5.744 -17.415 27.415 1.00 45.34 C ATOM 1454 O HIS A 88 5.316 -18.535 27.682 1.00 71.43 O ATOM 1455 CB HIS A 88 7.967 -17.889 28.527 1.00 21.41 C ATOM 1456 CG HIS A 88 9.227 -17.323 29.113 1.00 15.21 C ATOM 1457 ND1 HIS A 88 10.457 -17.400 28.492 1.00 61.30 N ATOM 1458 CD2 HIS A 88 9.443 -16.666 30.274 1.00 13.10 C ATOM 1459 CE1 HIS A 88 11.366 -16.823 29.247 1.00 41.31 C ATOM 1460 NE2 HIS A 88 10.778 -16.369 30.328 1.00 44.35 N ATOM 0 H HIS A 88 6.513 -16.715 30.237 1.00 44.44 H new ATOM 0 HA HIS A 88 7.407 -16.080 27.530 1.00 64.22 H new ATOM 0 HB2 HIS A 88 7.529 -18.593 29.234 1.00 21.41 H new ATOM 0 HB3 HIS A 88 8.213 -18.453 27.627 1.00 21.41 H new ATOM 0 HD1 HIS A 88 10.634 -17.837 27.587 1.00 61.30 H new ATOM 0 HD2 HIS A 88 8.701 -16.421 31.020 1.00 13.10 H new ATOM 0 HE1 HIS A 88 12.418 -16.737 29.016 1.00 41.31 H new ATOM 1469 N GLN A 89 5.211 -16.642 26.474 1.00 44.42 N ATOM 1470 CA GLN A 89 3.978 -17.006 25.761 1.00 4.42 C ATOM 1471 C GLN A 89 4.253 -17.468 24.314 1.00 32.05 C ATOM 1472 O GLN A 89 3.422 -18.141 23.701 1.00 20.31 O ATOM 1473 CB GLN A 89 3.031 -15.791 25.755 1.00 10.45 C ATOM 1474 CG GLN A 89 1.647 -16.061 25.165 1.00 43.31 C ATOM 1475 CD GLN A 89 0.791 -16.977 26.028 1.00 72.14 C ATOM 1476 OE1 GLN A 89 0.898 -16.986 27.252 1.00 23.32 O ATOM 1477 NE2 GLN A 89 -0.067 -17.756 25.399 1.00 14.02 N ATOM 0 H GLN A 89 5.613 -15.751 26.181 1.00 44.42 H new ATOM 0 HA GLN A 89 3.519 -17.847 26.281 1.00 4.42 H new ATOM 0 HB2 GLN A 89 2.911 -15.436 26.779 1.00 10.45 H new ATOM 0 HB3 GLN A 89 3.500 -14.985 25.191 1.00 10.45 H new ATOM 0 HG2 GLN A 89 1.127 -15.113 25.028 1.00 43.31 H new ATOM 0 HG3 GLN A 89 1.762 -16.507 24.177 1.00 43.31 H new ATOM 0 HE21 GLN A 89 -0.132 -17.726 24.382 1.00 14.02 H new ATOM 0 HE22 GLN A 89 -0.665 -18.389 25.930 1.00 14.02 H new ATOM 1486 N HIS A 90 5.422 -17.121 23.774 1.00 13.42 N ATOM 1487 CA HIS A 90 5.727 -17.375 22.355 1.00 13.31 C ATOM 1488 C HIS A 90 6.737 -18.523 22.164 1.00 4.10 C ATOM 1489 O HIS A 90 6.853 -19.084 21.073 1.00 1.21 O ATOM 1490 CB HIS A 90 6.263 -16.088 21.715 1.00 4.53 C ATOM 1491 CG HIS A 90 6.511 -16.185 20.239 1.00 22.02 C ATOM 1492 ND1 HIS A 90 5.505 -16.384 19.318 1.00 64.41 N ATOM 1493 CD2 HIS A 90 7.657 -16.103 19.522 1.00 32.42 C ATOM 1494 CE1 HIS A 90 6.016 -16.414 18.105 1.00 50.14 C ATOM 1495 NE2 HIS A 90 7.319 -16.247 18.200 1.00 51.34 N ATOM 0 H HIS A 90 6.174 -16.665 24.291 1.00 13.42 H new ATOM 0 HA HIS A 90 4.803 -17.684 21.866 1.00 13.31 H new ATOM 0 HB2 HIS A 90 5.552 -15.282 21.899 1.00 4.53 H new ATOM 0 HB3 HIS A 90 7.194 -15.811 22.210 1.00 4.53 H new ATOM 0 HD2 HIS A 90 8.651 -15.952 19.917 1.00 32.42 H new ATOM 0 HE1 HIS A 90 5.461 -16.552 17.189 1.00 50.14 H new ATOM 0 HE2 HIS A 90 7.972 -16.228 17.417 1.00 51.34 H new ATOM 1504 N GLU A 91 7.466 -18.857 23.221 1.00 34.25 N ATOM 1505 CA GLU A 91 8.477 -19.919 23.170 1.00 5.41 C ATOM 1506 C GLU A 91 8.009 -21.182 23.913 1.00 64.54 C ATOM 1507 O GLU A 91 8.496 -22.283 23.650 1.00 61.13 O ATOM 1508 CB GLU A 91 9.808 -19.433 23.770 1.00 41.34 C ATOM 1509 CG GLU A 91 9.720 -18.994 25.234 1.00 54.32 C ATOM 1510 CD GLU A 91 9.342 -17.528 25.411 1.00 62.32 C ATOM 1511 OE1 GLU A 91 10.218 -16.735 25.806 1.00 20.30 O ATOM 1512 OE2 GLU A 91 8.169 -17.169 25.179 1.00 23.31 O1- ATOM 0 H GLU A 91 7.379 -18.407 24.132 1.00 34.25 H new ATOM 0 HA GLU A 91 8.625 -20.172 22.120 1.00 5.41 H new ATOM 0 HB2 GLU A 91 10.543 -20.233 23.687 1.00 41.34 H new ATOM 0 HB3 GLU A 91 10.177 -18.598 23.175 1.00 41.34 H new ATOM 0 HG2 GLU A 91 8.985 -19.614 25.747 1.00 54.32 H new ATOM 0 HG3 GLU A 91 10.681 -19.173 25.717 1.00 54.32 H new ATOM 1519 N ALA A 92 7.064 -21.017 24.840 1.00 24.24 N ATOM 1520 CA ALA A 92 6.539 -22.143 25.630 1.00 33.35 C ATOM 1521 C ALA A 92 5.429 -22.908 24.876 1.00 23.13 C ATOM 1522 O ALA A 92 4.255 -22.480 24.929 1.00 37.59 O ATOM 1523 CB ALA A 92 6.026 -21.641 26.978 1.00 74.43 C ATOM 1524 OXT ALA A 92 5.738 -23.933 24.222 1.00 37.59 O ATOM 0 H ALA A 92 6.643 -20.116 25.066 1.00 24.24 H new ATOM 0 HA ALA A 92 7.357 -22.844 25.796 1.00 33.35 H new ATOM 0 HB1 ALA A 92 5.639 -22.481 27.556 1.00 74.43 H new ATOM 0 HB2 ALA A 92 6.842 -21.169 27.525 1.00 74.43 H new ATOM 0 HB3 ALA A 92 5.230 -20.914 26.817 1.00 74.43 H new TER 1530 ALA A 92